A0A2K5KZ39_CERAT Loading...

PDZ and LIM domain protein 4

Suppresses SRC activation by recognizing and binding to active SRC and facilitating PTPN13-mediated dephosphorylation of SRC 'Tyr-419' leading to its inactivation. Inactivated SRC dissociates from this protein allowing the initiation of a new SRC inactivation cycle. Involved in reorganization of the actin cytoskeleton. In nonmuscle cells, binds to ACTN1 (alpha-actinin-1), increases the affinity of ACTN1 to F-actin (filamentous actin), and promotes formation of actin stress fibers. Involved in regulation of the synaptic AMPA receptor transport in dendritic spines of hippocampal pyramidal neurons directing the receptors toward an insertion at the postsynaptic membrane. Links endosomal surface-internalized GRIA1-containing AMPA receptors to the alpha-actinin/actin cytoskeleton. Increases AMPA receptor-mediated excitatory postsynaptic currents in neurons.

AlphaFold DB , UniProt , Accession A0A2K5KZ39, Species CERAT (Cercocebus atys, Sooty mangabey), Gene PDLIM4, Length 330 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M74.8Confident91.1Very high175 Ų17579.5 Ų79.586%0.86244%0.44SS*.  0146.60-64.7179.3-177.100111.5E84M1-E84 PolarHBondContact N-OE1 2.69Å
2P85.1Confident91.4Very high88 Ų8882.3 Ų82.357%0.57146%0.464SS*.EExtended strand (participates in β ladder)trans-71.8136.6174.229.7-32.3000110.8V80P2-V80 CarbonylContact C-O 3.57Å; P2-V80 VanDerWaalsContact CA-O 3.31Å; P2-V80 WeakPolarHBondContact CA-O 3.18Å
3H91.9Very high91.7Very high67 Ų6776.8 Ų76.831%0.3143%0.432SS..EExtended strand (participates in β ladder)trans-130.2147.9173.657.2-81000110.2V80H3-V80 PolarHBondContact N-O 3.32Å; H3-V80 WeakPolarHBondContact NE2-CG2 3.42Å; H3-V80 PolarHBondContact O-N 3.21Å
4S94.2Very high92Very high80 Ų8072.6 Ų72.656%0.55941%0.413SS*.EExtended strand (participates in β ladder)trans-95.6132.8-179.7-1740000110.2T77 L78S4-T77 WeakPolarHBondContact OG-CG2 3.41Å; S4-L78 WeakPolarHBondContact CA-O 3.37Å
5V95.3Very high92.3Very high10 Ų1069.7 Ų69.76%0.06139%0.394CS..EExtended strand (participates in β ladder)trans-122.9121.6-179.1-179.10000108.9A41 L43 T77 L78 V80V5-A41 HydrophobicContact CG1-CB 3.36Å; V5-A41 WeakPolarHBondContact CG1-O 3.38Å; V5-L43 HydrophobicContact CB-CD2 4.02Å; V5-L43 HydrophobicContact CG1-CD1 4.5Å; V5-L43 HydrophobicContact CG1-CD2 3.96Å; V5-L43 HydrophobicContact CG1-CG 3.98Å; V5-L43 HydrophobicContact CG2-CD2 3.96Å; V5-T77 CarbonylContact O-C 3.27Å; V5-T77 WeakPolarHBondContact O-CA 3.32Å; V5-L78 PolarHBondContact N-O 3.13Å; V5-L78 PolarHBondContact O-N 2.75Å; V5-V80 HydrophobicContact CG2-CG2 3.88Å
6T95.7Very high92.6Very high70 Ų7074 Ų7443%0.42940%0.403SS..EExtended strand (participates in β ladder)trans-110.6118.6178.7-56.60000110.9H75 L76 T77T6-H75 HydrophobicContact CG2-CB 4.26Å; T6-L76 WeakPolarHBondContact CA-O 3.44Å; T6-T77 PolarHBondContact OG1-OG1 3.26Å
7L95.4Very high92.8Very high3 Ų371.1 Ų71.12%0.01639%0.387CS..EExtended strand (participates in β ladder)trans-95131.8174.7-55.4172.4000109.1W13 F15 K37 A41 L43 H75 L76L7-W13 HydrophobicContact CB-CE3 3.52Å; L7-W13 HydrophobicContact CB-CZ3 3.55Å; L7-W13 HydrophobicContact CD1-CB 4.18Å; L7-W13 HydrophobicContact CD1-CD2 4.41Å; L7-W13 HydrophobicContact CD1-CE3 3.98Å; L7-W13 HydrophobicContact CG-CE3 4.39Å; L7-W13 WeakPolarHBondContact O-CZ3 3.15Å; L7-F15 HydrophobicContact CD1-CD1 4.49Å; L7-F15 HydrophobicContact CD1-CE1 4.11Å; L7-K37 VanDerWaalsContact CD2-C 3.48Å; L7-K37 HydrophobicContact CD2-CB 4.26Å; L7-K37 WeakPolarHBondContact CD2-O 3.41Å; L7-A41 HydrophobicContact CD2-CB 3.32Å; L7-A41 HydrophobicContact CG-CB 4.48Å; L7-L43 HydrophobicContact CD1-CD1 4.03Å; L7-L43 HydrophobicContact CD2-CD1 4.36Å; L7-H75 CarbonylContact O-C 3.6Å; L7-H75 WeakPolarHBondContact O-CA 3.21Å; L7-H75 WeakPolarHBondContact O-CB 3.45Å; L7-L76 HydrophobicContact CB-CB 4.33Å; L7-L76 HydrophobicContact CD1-CD2 3.99Å; L7-L76 HydrophobicContact CD1-CG 4.37Å; L7-L76 PolarHBondContact N-O 2.88Å; L7-L76 PolarHBondContact O-N 2.93Å
8R95Very high93Very high211 Ų21170.6 Ų70.680%0.79639%0.386SS*.EExtended strand (participates in β ladder)trans-105.9149-179.7-65.7-171.7-179.9179.70.4113.4K37R8-K37 WeakPolarHBondContact O-CD 3.48Å; R8-K37 WeakPolarHBondContact O-CE 3.46Å; R8-K37 PolarHBondContact O-NZ 3.27Å; R8-K37 VanDerWaalsContact O-NZ 3.13Å
9G92.4Very high93.2Very high23 Ų2367.5 Ų67.524%0.23737%0.372CS..SBendtrans82.5176.2-179.500000113.3W13 K37 H73 D74G9-W13 WeakPolarHBondContact O-CH2 3.5Å; G9-W13 WeakPolarHBondContact O-CZ3 3.17Å; G9-K37 PolarHBondContact O-NZ 2.76Å; G9-H73 CarbonylContact C-O 3.53Å; G9-H73 VanDerWaalsContact C-O 3.27Å; G9-D74 WeakPolarHBondContact CA-O 3.4Å; G9-D74 PolarHBondContact N-O 3.33Å
10P93.7Very high93.3Very high78 Ų7864.2 Ų64.251%0.50635%0.354SS..SBendtrans-72.5168.4-171.129-36.8000114.4K37 H73P10-K37 PolarHBondContact O-NZ 2.98Å; P10-H73 WeakPolarHBondContact CA-O 3.5Å; P10-H73 WeakPolarHBondContact CB-O 3.39Å; P10-H73 VanDerWaalsContact N-O 3.11Å
11S89.1Confident93.4Very high70 Ų7067.4 Ų67.449%0.4936%0.361SS..SBendtrans-51.9148.416578.50000111
12P94Very high94.5Very high113 Ų11363 Ų6373%0.73434%0.341SS*.PPolyproline II helixcis-82.8139.45.932.1-34.4000114.2
13W95.9Very high95Very high11 Ų1165 Ų654%0.04234%0.341CS..  trans-80.1-27.4-179.8-57112.4000113.9L7 G9 F15 K37 A38 I69 C72 L76L7-W13 HydrophobicContact CB-CE3 3.52Å; L7-W13 HydrophobicContact CB-CZ3 3.55Å; L7-W13 HydrophobicContact CD1-CB 4.18Å; L7-W13 HydrophobicContact CD1-CD2 4.41Å; L7-W13 HydrophobicContact CD1-CE3 3.98Å; L7-W13 HydrophobicContact CG-CE3 4.39Å; L7-W13 WeakPolarHBondContact O-CZ3 3.15Å; G9-W13 WeakPolarHBondContact O-CH2 3.5Å; G9-W13 WeakPolarHBondContact O-CZ3 3.17Å; W13-F15 HydrophobicContact CB-CD1 3.8Å; W13-F15 HydrophobicContact CB-CE1 3.57Å; W13-F15 HydrophobicContact CG-CE1 4.26Å; W13-K37 HydrophobicContact CE3-CD 4.2Å; W13-A38 WeakPolarHBondContact O-CB 3.4Å; W13-A38 PolarHBondContact O-N 3.01Å; W13-I69 PolarHBondContact NE1-O 2.79Å; W13-C72 HydrophobicContact CH2-CB 4.39Å; W13-C72 HydrophobicContact CZ2-CB 3.54Å; W13-C72 WeakPolarHBondContact CZ2-O 3.39Å; W13-L76 HydrophobicContact CB-CD2 4.44Å; W13-L76 HydrophobicContact CD2-CB 4.03Å; W13-L76 HydrophobicContact CD2-CD2 3.75Å; W13-L76 HydrophobicContact CE3-CB 4.07Å; W13-L76 HydrophobicContact CE3-CD2 4.38Å; W13-L76 HydrophobicContact CG-CD2 3.74Å; W13-L76 HydrophobicContact CH2-CB 3.56Å; W13-L76 HydrophobicContact CZ2-CB 3.56Å; W13-L76 HydrophobicContact CZ2-CD2 4.44Å; W13-L76 HydrophobicContact CZ3-CB 3.83Å
14G95.4Very high95.1Very high17 Ų1767.5 Ų67.518%0.17537%0.366CS..  trans93.816.8171.900000116.8H33 S36G14-H33 PolarHBondContact O-N 2.87Å; G14-H33 PolarHBondContact O-ND1 3.22Å; G14-S36 PolarHBondContact O-OG 2.65Å
15F96.8Very high95.1Very high29 Ų2965.7 Ų65.713%0.12736%0.356CS..EExtended strand (participates in β ladder)trans-123.5165.217368.3-85.8000112.2L7 W13 L17 I29 R31 V32 A38 L43 I69 L76 L78L7-F15 HydrophobicContact CD1-CD1 4.49Å; L7-F15 HydrophobicContact CD1-CE1 4.11Å; W13-F15 HydrophobicContact CB-CD1 3.8Å; W13-F15 HydrophobicContact CB-CE1 3.57Å; W13-F15 HydrophobicContact CG-CE1 4.26Å; F15-L17 HydrophobicContact CE2-CB 4.5Å; F15-I29 HydrophobicContact CB-CG2 4.19Å; F15-I29 HydrophobicContact CD2-CG1 4.39Å; F15-R31 CarbonylContact C-O 3.58Å; F15-R31 WeakPolarHBondContact CA-O 3.18Å; F15-R31 WeakPolarHBondContact CB-O 3.48Å; F15-V32 HydrophobicContact CB-CG2 4.16Å; F15-A38 HydrophobicContact CB-CB 3.97Å; F15-A38 HydrophobicContact CD1-CB 3.93Å; F15-A38 HydrophobicContact CG-CB 4.41Å; F15-L43 HydrophobicContact CD1-CD1 4.4Å; F15-I69 HydrophobicContact CE2-CD1 4.15Å; F15-I69 HydrophobicContact CZ-CD1 3.95Å; F15-I69 HydrophobicContact CZ-CG1 4.46Å; F15-I69 HydrophobicContact CZ-CG2 4.07Å; F15-L76 HydrophobicContact CE1-CD2 3.98Å; F15-L76 HydrophobicContact CZ-CD2 4.15Å; F15-L78 HydrophobicContact CE1-CD1 4.22Å; F15-L78 HydrophobicContact CZ-CD1 3.98Å
16R96.2Very high95.1Very high139 Ų13969.2 Ų69.253%0.52538%0.379SS..EExtended strand (participates in β ladder)trans-114.2129.7173.3-70.3-176.5174.2-99.2-1.4110S30 R31R16-S30 WeakPolarHBondContact CB-OG 3.4Å; R16-S30 PolarHBondContact O-N 3.11Å; R16-S30 PolarHBondContact O-OG 3.49Å; R16-S30 VanDerWaalsContact O-OG 3.05Å; R16-R31 HydrophobicContact CB-CB 4.15Å; R16-R31 HydrophobicContact CG-CB 4.36Å; R16-R31 PolarHBondContact N-O 3.41Å
17L96.4Very high95.2Very high25 Ų2566.2 Ų66.213%0.13136%0.36CS..EExtended strand (participates in β ladder)trans-95.1142.3177.4-175.471.3000110.4F15 L27 I49 A65 Q66 I69F15-L17 HydrophobicContact CE2-CB 4.5Å; L17-L27 HydrophobicContact CD1-CB 4.34Å; L17-L27 HydrophobicContact CD1-CD2 3.95Å; L17-L27 HydrophobicContact CD2-CD2 3.89Å; L17-L27 HydrophobicContact CG-CD2 3.97Å; L17-I49 HydrophobicContact CD1-CD1 3.41Å; L17-I49 VanDerWaalsContact CD1-CD1 3.41Å; L17-A65 HydrophobicContact CD2-CB 3.73Å; L17-Q66 HydrophobicContact CD2-CG 4.43Å; L17-I69 HydrophobicContact CD2-CD1 3.98Å
18V96.4Very high95.2Very high61 Ų6167.6 Ų67.637%0.3737%0.369SS..EExtended strand (participates in β ladder)trans-137.5164.3168.9-62.60000110.2L27 T28V18-L27 WeakPolarHBondContact O-CA 3.5Å; V18-T28 WeakPolarHBondContact CG2-OG1 3.04Å; V18-T28 PolarHBondContact N-O 3.05Å; V18-T28 PolarHBondContact O-N 2.83Å
19G96.6Very high95.3Very high13 Ų1357.6 Ų57.613%0.13433%0.331CS..EExtended strand (participates in β ladder)trans80.9-168.6-17600000113L27 H62G19-L27 WeakPolarHBondContact O-CD2 3.32Å; G19-H62 WeakPolarHBondContact O-CB 3.32Å; G19-H62 PolarHBondContact O-ND1 2.92Å
20G96Very high95.4Very high1 Ų159 Ų591%0.0134%0.338CS..EExtended strand (participates in β ladder)trans133.9155.8-168.500000110.5D22 F23 S24 A25G20-D22 PolarHBondContact O-N 2.8Å; G20-F23 CarbonylContact O-C 3.56Å; G20-F23 WeakPolarHBondContact O-CA 2.76Å; G20-F23 PolarHBondContact O-N 2.81Å; G20-S24 PolarHBondContact O-N 3.3Å; G20-A25 CarbonylContact C-O 3.49Å; G20-A25 VanDerWaalsContact C-O 3.29Å; G20-A25 WeakPolarHBondContact CA-O 2.88Å; G20-A25 PolarHBondContact N-O 3.34Å; G20-A25 PolarHBondContact O-N 3.44Å
21R95.7Very high95.5Very high132 Ų13262.2 Ų62.250%0.49834%0.339SS..G310 helixtrans-56-36179.5-178.217367.1170.1-3.2112.9F23 S24 L59 M60R21-F23 PolarHBondContact O-N 3.26Å; R21-S24 PolarHBondContact O-N 3.43Å; R21-S24 VanDerWaalsContact O-N 3.13Å; R21-L59 PolarHBondContact NE-O 2.88Å; R21-L59 PolarHBondContact NH1-O 2.88Å; R21-L59 PolarHBondContact NH2-O 3.47Å; R21-M60 WeakPolarHBondContact CB-O 3.25Å; R21-M60 PolarHBondContact N-O 3.01Å
22D96.7Very high95.9Very high83 Ų8360.1 Ų60.144%0.44432%0.324SS..G310 helixtrans-64.2-23.1175.653.7-40.6000113.9G20 T61 H62G20-D22 PolarHBondContact O-N 2.8Å; D22-T61 HydrophobicContact CB-CG2 4.26Å; D22-T61 WeakPolarHBondContact OD1-CA 3.4Å; D22-H62 WeakPolarHBondContact OD1-CB 3.49Å; D22-H62 PolarHBondContact OD1-N 2.63Å
23F95.3Very high96Very high128 Ų12859 Ų5956%0.56131%0.308SS*.G310 helixtrans-1016.9175.2-63.5-77.5000112.9G20 R21 A25 H62G20-F23 CarbonylContact O-C 3.56Å; G20-F23 WeakPolarHBondContact O-CA 2.76Å; G20-F23 PolarHBondContact O-N 2.81Å; R21-F23 PolarHBondContact O-N 3.26Å; F23-A25 HydrophobicContact CB-CB 4.44Å; F23-A25 PolarHBondContact O-N 2.81Å; F23-H62 HydrophobicContact CD2-CB 3.85Å; F23-H62 HydrophobicContact CE2-CB 3.48Å; F23-H62 VanDerWaalsContact CE2-CB 3.48Å; F23-H62 AromaticContact CE2-CG 3.81Å
24S94.5Very high95.9Very high121 Ų12163.2 Ų63.285%0.84635%0.346SS*.THydrogen-bonded Turntrans49.832.7-174.2-56.60000112.9G20 R21G20-S24 PolarHBondContact O-N 3.3Å; R21-S24 PolarHBondContact O-N 3.43Å; R21-S24 VanDerWaalsContact O-N 3.13Å
25A94.4Very high95.9Very high41 Ų4165.9 Ų65.934%0.33937%0.373SS..EExtended strand (participates in β ladder)trans-136144.6-17600000109.9G20 F23G20-A25 CarbonylContact C-O 3.49Å; G20-A25 VanDerWaalsContact C-O 3.29Å; G20-A25 WeakPolarHBondContact CA-O 2.88Å; G20-A25 PolarHBondContact N-O 3.34Å; G20-A25 PolarHBondContact O-N 3.44Å; F23-A25 HydrophobicContact CB-CB 4.44Å; F23-A25 PolarHBondContact O-N 2.81Å
26P95.3Very high95.8Very high85 Ų8565.3 Ų65.355%0.55237%0.373SS*.EExtended strand (participates in β ladder)trans-66.3150.5178.529.2-35.4000111.2T28 L48P26-T28 HydrophobicContact CG-CG2 4.41Å; P26-T28 PolarHBondContact O-N 2.81Å; P26-L48 HydrophobicContact CB-CD2 3.7Å; P26-L48 HydrophobicContact CG-CD2 3.64Å
27L96.9Very high95.8Very high6 Ų661.7 Ų61.73%0.03136%0.361CS..EExtended strand (participates in β ladder)trans-68.2117.8175.5-76.9162000109.7L17 V18 G19 I49 T57 M60 A65L17-L27 HydrophobicContact CD1-CB 4.34Å; L17-L27 HydrophobicContact CD1-CD2 3.95Å; L17-L27 HydrophobicContact CD2-CD2 3.89Å; L17-L27 HydrophobicContact CG-CD2 3.97Å; V18-L27 WeakPolarHBondContact O-CA 3.5Å; G19-L27 WeakPolarHBondContact O-CD2 3.32Å; L27-I49 HydrophobicContact CB-CB 4.29Å; L27-I49 PolarHBondContact O-N 2.7Å; L27-T57 HydrophobicContact CD1-CG2 4.04Å; L27-M60 HydrophobicContact CD1-CB 4.23Å; L27-A65 HydrophobicContact CD1-CB 3.79Å; L27-A65 HydrophobicContact CD2-CB 3.89Å
28T96.2Very high95.8Very high32 Ų3260.5 Ų60.520%0.19636%0.355CS..EExtended strand (participates in β ladder)trans-132.6152.8-174.947.20000112.3V18 P26 D47 L48V18-T28 WeakPolarHBondContact CG2-OG1 3.04Å; V18-T28 PolarHBondContact N-O 3.05Å; V18-T28 PolarHBondContact O-N 2.83Å; P26-T28 HydrophobicContact CG-CG2 4.41Å; P26-T28 PolarHBondContact O-N 2.81Å; T28-D47 CarbonylContact C-O 3.59Å; T28-D47 VanDerWaalsContact CA-O 3.29Å; T28-D47 WeakPolarHBondContact CA-O 3.49Å; T28-L48 HydrophobicContact CG2-CD2 3.35Å; T28-L48 HydrophobicContact CG2-CG 4.07Å
29I96.4Very high95.7Very high2 Ų259.4 Ų59.41%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-84115.9173.1-58.5-174.8000108.8F15 V32 L43 P45 G46 D47 I49F15-I29 HydrophobicContact CB-CG2 4.19Å; F15-I29 HydrophobicContact CD2-CG1 4.39Å; I29-V32 HydrophobicContact CG2-CG2 3.53Å; I29-L43 HydrophobicContact CD1-CB 3.97Å; I29-L43 HydrophobicContact CD1-CD1 4.04Å; I29-L43 HydrophobicContact CD1-CD2 3.78Å; I29-L43 HydrophobicContact CD1-CG 4.14Å; I29-P45 CarbonylContact O-C 3.4Å; I29-P45 WeakPolarHBondContact O-CA 3.17Å; I29-G46 PolarHBondContact O-N 3.47Å; I29-D47 HydrophobicContact CB-CB 4.44Å; I29-D47 HydrophobicContact CD1-CB 4.05Å; I29-D47 HydrophobicContact CG1-CB 4.29Å; I29-D47 PolarHBondContact N-O 3.03Å; I29-I49 HydrophobicContact CG1-CD1 4.11Å; I29-I49 HydrophobicContact CG1-CG1 4.18Å
30S96.1Very high95.6Very high53 Ų5365.8 Ų65.837%0.37138%0.382SS..EExtended strand (participates in β ladder)trans-86.4-31.2178.257.60000113.3R16R16-S30 WeakPolarHBondContact CB-OG 3.4Å; R16-S30 PolarHBondContact O-N 3.11Å; R16-S30 PolarHBondContact O-OG 3.49Å; R16-S30 VanDerWaalsContact O-OG 3.05Å
31R95.4Very high95.5Very high144 Ų14467 Ų6754%0.54339%0.393SS..EExtended strand (participates in β ladder)trans-155.2145.6-177.2-173.5174.5-68.1162.8-0.1110.4F15 R16F15-R31 CarbonylContact C-O 3.58Å; F15-R31 WeakPolarHBondContact CA-O 3.18Å; F15-R31 WeakPolarHBondContact CB-O 3.48Å; R16-R31 HydrophobicContact CB-CB 4.15Å; R16-R31 HydrophobicContact CG-CB 4.36Å; R16-R31 PolarHBondContact N-O 3.41Å
32V97.1Very high95.3Very high26 Ų2663.4 Ų63.416%0.15839%0.391CS..EExtended strand (participates in β ladder)trans-125.9132.4170.6-177.70000107.8F15 I29 A38 A39 L43 P45F15-V32 HydrophobicContact CB-CG2 4.16Å; I29-V32 HydrophobicContact CG2-CG2 3.53Å; V32-A38 HydrophobicContact CG1-CB 3.78Å; V32-A39 HydrophobicContact CG1-CB 3.92Å; V32-L43 HydrophobicContact CG2-CB 4.25Å; V32-L43 WeakPolarHBondContact CG2-O 3Å; V32-P45 HydrophobicContact CG2-CG 4.49Å
33H95.9Very high95.2Very high89 Ų8959.8 Ų59.841%0.41237%0.372SS..  trans-81.9134.5178.2-62.890.7000110G14 S36 A39G14-H33 PolarHBondContact O-N 2.87Å; G14-H33 PolarHBondContact O-ND1 3.22Å; H33-S36 VanDerWaalsContact O-CB 3.25Å; H33-S36 WeakPolarHBondContact O-CB 3.48Å; H33-S36 PolarHBondContact O-N 3.22Å; H33-S36 PolarHBondContact O-OG 3.44Å; H33-A39 WeakPolarHBondContact O-CB 3.49Å
34A95Very high95.1Very high101 Ų10156 Ų5684%0.83536%0.361SS*.THydrogen-bonded Turntrans-59.7140.6175.500000111S36A34-S36 PolarHBondContact O-N 3.32Å
35G93.8Very high95.1Very high72 Ų7254 Ų5474%0.74235%0.345SS*.THydrogen-bonded Turntrans70.94.2-177.700000115.3
36S95.9Very high95.1Very high18 Ų1854 Ų5413%0.12635%0.348CS..SBendtrans-82.7165.3176.271.70000113G14 H33 A34 A38 A39 L40G14-S36 PolarHBondContact O-OG 2.65Å; H33-S36 VanDerWaalsContact O-CB 3.25Å; H33-S36 WeakPolarHBondContact O-CB 3.48Å; H33-S36 PolarHBondContact O-N 3.22Å; H33-S36 PolarHBondContact O-OG 3.44Å; A34-S36 PolarHBondContact O-N 3.32Å; S36-A38 PolarHBondContact O-N 3.03Å; S36-A39 WeakPolarHBondContact O-CB 3.25Å; S36-A39 PolarHBondContact O-N 3.19Å; S36-A39 PolarHBondContact OG-N 2.99Å; S36-L40 WeakPolarHBondContact O-CG 3.44Å; S36-L40 PolarHBondContact O-N 3.26Å
37K95.5Very high95.1Very high63 Ų6350.1 Ų50.127%0.27432%0.323SS..Hα-helixtrans-54.1-41.7173.6-61.9172.7178.4-168.70111.6L7 R8 G9 P10 W13 L40 A41L7-K37 VanDerWaalsContact CD2-C 3.48Å; L7-K37 HydrophobicContact CD2-CB 4.26Å; L7-K37 WeakPolarHBondContact CD2-O 3.41Å; R8-K37 WeakPolarHBondContact O-CD 3.48Å; R8-K37 WeakPolarHBondContact O-CE 3.46Å; R8-K37 PolarHBondContact O-NZ 3.27Å; R8-K37 VanDerWaalsContact O-NZ 3.13Å; G9-K37 PolarHBondContact O-NZ 2.76Å; P10-K37 PolarHBondContact O-NZ 2.98Å; W13-K37 HydrophobicContact CE3-CD 4.2Å; K37-L40 PolarHBondContact O-N 2.78Å; K37-A41 WeakPolarHBondContact O-CB 3.49Å; K37-A41 PolarHBondContact O-N 2.7Å
38A96.3Very high95Very high0 Ų052.1 Ų52.10%033%0.334CS..Hα-helixtrans-59.8-43.7175.600000112.7W13 F15 V32 S36 A41 A42 L43W13-A38 WeakPolarHBondContact O-CB 3.4Å; W13-A38 PolarHBondContact O-N 3.01Å; F15-A38 HydrophobicContact CB-CB 3.97Å; F15-A38 HydrophobicContact CD1-CB 3.93Å; F15-A38 HydrophobicContact CG-CB 4.41Å; V32-A38 HydrophobicContact CG1-CB 3.78Å; S36-A38 PolarHBondContact O-N 3.03Å; A38-A41 PolarHBondContact O-N 3.08Å; A38-A42 PolarHBondContact O-N 2.84Å; A38-L43 HydrophobicContact CB-CB 4.37Å; A38-L43 HydrophobicContact CB-CD1 3.89Å; A38-L43 WeakPolarHBondContact O-CB 3.3Å; A38-L43 PolarHBondContact O-N 2.91Å
39A94.8Very high95Very high38 Ų3850.9 Ų50.931%0.31433%0.326SS..Hα-helixtrans-66.3-42.1176.400000112V32 H33 S36 A41 A42V32-A39 HydrophobicContact CG1-CB 3.92Å; H33-A39 WeakPolarHBondContact O-CB 3.49Å; S36-A39 WeakPolarHBondContact O-CB 3.25Å; S36-A39 PolarHBondContact O-N 3.19Å; S36-A39 PolarHBondContact OG-N 2.99Å; A39-A41 PolarHBondContact O-N 3.3Å; A39-A42 PolarHBondContact O-N 2.86Å
40L94.3Very high95Very high146 Ų14655 Ų5576%0.76435%0.345SS*.Hα-helixtrans-63.1-31.5177.9-67.6173.8000112.6S36 K37 A42S36-L40 WeakPolarHBondContact O-CG 3.44Å; S36-L40 PolarHBondContact O-N 3.26Å; K37-L40 PolarHBondContact O-N 2.78Å; L40-A42 PolarHBondContact O-N 2.92Å
41A93.7Very high95Very high28 Ų2853 Ų5323%0.23133%0.331CS..THydrogen-bonded Turntrans-89.516.6175.500000113.2V5 L7 K37 A38 A39 L43V5-A41 HydrophobicContact CG1-CB 3.36Å; V5-A41 WeakPolarHBondContact CG1-O 3.38Å; L7-A41 HydrophobicContact CD2-CB 3.32Å; L7-A41 HydrophobicContact CG-CB 4.48Å; K37-A41 WeakPolarHBondContact O-CB 3.49Å; K37-A41 PolarHBondContact O-N 2.7Å; A38-A41 PolarHBondContact O-N 3.08Å; A39-A41 PolarHBondContact O-N 3.3Å; A41-L43 VanDerWaalsContact C-N 3.27Å; A41-L43 PolarHBondContact O-N 2.83Å
42A92Very high95.1Very high56 Ų5646.2 Ų46.246%0.46331%0.306SS..THydrogen-bonded Turntrans57.532.7176.600000114.6A38 A39 L40 R82A38-A42 PolarHBondContact O-N 2.84Å; A39-A42 PolarHBondContact O-N 2.86Å; L40-A42 PolarHBondContact O-N 2.92Å; A42-R82 PolarHBondContact O-NH2 2.72Å
43L94.4Very high94.9Very high7 Ų748.5 Ų48.54%0.03732%0.317CS..  trans-71.5135.6166.2-68.2174.1000109.6V5 L7 F15 I29 V32 A38 A41 L78 V80V5-L43 HydrophobicContact CB-CD2 4.02Å; V5-L43 HydrophobicContact CG1-CD1 4.5Å; V5-L43 HydrophobicContact CG1-CD2 3.96Å; V5-L43 HydrophobicContact CG1-CG 3.98Å; V5-L43 HydrophobicContact CG2-CD2 3.96Å; L7-L43 HydrophobicContact CD1-CD1 4.03Å; L7-L43 HydrophobicContact CD2-CD1 4.36Å; F15-L43 HydrophobicContact CD1-CD1 4.4Å; I29-L43 HydrophobicContact CD1-CB 3.97Å; I29-L43 HydrophobicContact CD1-CD1 4.04Å; I29-L43 HydrophobicContact CD1-CD2 3.78Å; I29-L43 HydrophobicContact CD1-CG 4.14Å; V32-L43 HydrophobicContact CG2-CB 4.25Å; V32-L43 WeakPolarHBondContact CG2-O 3Å; A38-L43 HydrophobicContact CB-CB 4.37Å; A38-L43 HydrophobicContact CB-CD1 3.89Å; A38-L43 WeakPolarHBondContact O-CB 3.3Å; A38-L43 PolarHBondContact O-N 2.91Å; A41-L43 VanDerWaalsContact C-N 3.27Å; A41-L43 PolarHBondContact O-N 2.83Å; L43-L78 HydrophobicContact CD1-CD1 3.89Å; L43-V80 HydrophobicContact CD2-CG1 4.06Å; L43-V80 HydrophobicContact CD2-CG2 4.21Å
44C93.2Very high94.8Very high49 Ų4947.4 Ų47.433%0.33133%0.33SS..  trans-117.5148.3-179.9-70.70000111G46 D47C44-G46 PolarHBondContact O-N 3.05Å; C44-D47 PolarHBondContact N-OD2 2.78Å; C44-D47 WeakPolarHBondContact O-CB 3.31Å; C44-D47 PolarHBondContact O-N 2.99Å
45P95.3Very high94.8Very high79 Ų7946.3 Ų46.351%0.51331%0.308SS..THydrogen-bonded Turntrans-56.4136.4163.5-20.332.8000110.5I29 V32I29-P45 CarbonylContact O-C 3.4Å; I29-P45 WeakPolarHBondContact O-CA 3.17Å; V32-P45 HydrophobicContact CG2-CG 4.49Å
46G93.7Very high94.8Very high40 Ų4046.5 Ų46.541%0.41230%0.298SS..THydrogen-bonded Turntrans94.1-9.9-175.900000114.6I29 C44 L48I29-G46 PolarHBondContact O-N 3.47Å; C44-G46 PolarHBondContact O-N 3.05Å; G46-L48 PolarHBondContact O-N 3.37Å
47D94.9Very high94.8Very high3 Ų346.2 Ų46.22%0.01630%0.295CS..  trans-62.5130.1174.9-72.5-11.2000110.7T28 I29 C44 V80 R82T28-D47 CarbonylContact C-O 3.59Å; T28-D47 VanDerWaalsContact CA-O 3.29Å; T28-D47 WeakPolarHBondContact CA-O 3.49Å; I29-D47 HydrophobicContact CB-CB 4.44Å; I29-D47 HydrophobicContact CD1-CB 4.05Å; I29-D47 HydrophobicContact CG1-CB 4.29Å; I29-D47 PolarHBondContact N-O 3.03Å; C44-D47 PolarHBondContact N-OD2 2.78Å; C44-D47 WeakPolarHBondContact O-CB 3.31Å; C44-D47 PolarHBondContact O-N 2.99Å; D47-V80 HydrophobicContact CB-CB 4.25Å; D47-V80 HydrophobicContact CB-CG1 4.43Å; D47-R82 WeakPolarHBondContact OD1-CG 3.27Å; D47-R82 IonicContact OD1-NE 3.56Å
48L95.7Very high94.7Very high49 Ų4950.7 Ų50.726%0.25732%0.317SS..EExtended strand (participates in β ladder)trans-87.3120.7175-69.6155.7000108.9P26 T28 G46 Q50 V80 S81 P83P26-L48 HydrophobicContact CB-CD2 3.7Å; P26-L48 HydrophobicContact CG-CD2 3.64Å; T28-L48 HydrophobicContact CG2-CD2 3.35Å; T28-L48 HydrophobicContact CG2-CG 4.07Å; G46-L48 PolarHBondContact O-N 3.37Å; L48-Q50 PolarHBondContact O-N 3.42Å; L48-V80 CarbonylContact O-C 3.29Å; L48-V80 WeakPolarHBondContact O-CA 3.32Å; L48-S81 WeakPolarHBondContact CB-O 3.49Å; L48-S81 PolarHBondContact N-O 3.28Å; L48-S81 PolarHBondContact O-N 3.29Å; L48-P83 HydrophobicContact CD1-CB 4.46Å; L48-P83 HydrophobicContact CD1-CG 4.35Å
49I96.4Very high94.5Very high6 Ų656.1 Ų56.13%0.03135%0.346CS..EExtended strand (participates in β ladder)trans-84.1113.1176.5-52.8-177.8000108L17 L27 I29 I52 T57 L78 V80L17-I49 HydrophobicContact CD1-CD1 3.41Å; L17-I49 VanDerWaalsContact CD1-CD1 3.41Å; L27-I49 HydrophobicContact CB-CB 4.29Å; L27-I49 PolarHBondContact O-N 2.7Å; I29-I49 HydrophobicContact CG1-CD1 4.11Å; I29-I49 HydrophobicContact CG1-CG1 4.18Å; I49-I52 HydrophobicContact CG2-CD1 4.38Å; I49-I52 HydrophobicContact CG2-CG1 3.83Å; I49-T57 HydrophobicContact CG2-CG2 4Å; I49-T57 PolarHBondContact O-OG1 3.32Å; I49-L78 HydrophobicContact CG2-CD2 4.28Å; I49-V80 HydrophobicContact CG1-CG1 4.19Å
50Q95.8Very high94.5Very high88 Ų8855.1 Ų55.141%0.41134%0.335SS..EExtended strand (participates in β ladder)trans-91.9-29.2176.3-62-171.56.300113L48 S56 T57 S79 S81L48-Q50 PolarHBondContact O-N 3.42Å; Q50-S56 WeakPolarHBondContact O-CA 3.05Å; Q50-T57 WeakPolarHBondContact CA-OG1 3.43Å; Q50-T57 PolarHBondContact O-N 3.19Å; Q50-T57 PolarHBondContact O-OG1 3.39Å; Q50-S79 PolarHBondContact N-O 3.48Å; Q50-S81 PolarHBondContact NE2-OG 2.88Å
51A96.1Very high94.7Very high11 Ų1149.7 Ų49.79%0.09131%0.308CS..EExtended strand (participates in β ladder)trans-150.3148.417600000112.6E55 L78 S79A51-E55 CarbonylContact C-O 3.5Å; A51-E55 WeakPolarHBondContact CA-O 3.47Å; A51-E55 VanDerWaalsContact CB-O 3.25Å; A51-E55 WeakPolarHBondContact CB-O 3.22Å; A51-L78 WeakPolarHBondContact O-CA 3.36Å; A51-S79 PolarHBondContact N-O 2.81Å; A51-S79 PolarHBondContact O-N 3.39Å
52I96.6Very high94.8Very high1 Ų150 Ų501%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-118.8118.7172.8-64.4164.3000107.8I49 G54 E55 T57 M60 A65 R68 I69 L76 L78I49-I52 HydrophobicContact CG2-CD1 4.38Å; I49-I52 HydrophobicContact CG2-CG1 3.83Å; I52-G54 PolarHBondContact O-N 3.01Å; I52-E55 PolarHBondContact N-O 3.38Å; I52-E55 WeakPolarHBondContact O-CB 3.23Å; I52-E55 PolarHBondContact O-N 3.38Å; I52-T57 HydrophobicContact CB-CG2 4.35Å; I52-T57 HydrophobicContact CD1-CG2 3.68Å; I52-T57 HydrophobicContact CG1-CG2 3.67Å; I52-M60 HydrophobicContact CD1-CE 3.65Å; I52-A65 HydrophobicContact CD1-CB 3.95Å; I52-R68 HydrophobicContact CG2-CB 4.12Å; I52-I69 HydrophobicContact CD1-CD1 4Å; I52-I69 HydrophobicContact CD1-CG1 4.09Å; I52-I69 HydrophobicContact CG2-CG1 4.28Å; I52-L76 HydrophobicContact CG2-CD1 3.92Å; I52-L78 HydrophobicContact CB-CD2 4.32Å; I52-L78 HydrophobicContact CG1-CD2 3.71Å; I52-L78 HydrophobicContact CG2-CD2 4.28Å
53N94.1Very high95.1Very high74 Ų7452.3 Ų52.340%0.39631%0.308SS..THydrogen-bonded Turntrans50.635.3-174.2-66.4-21.1000114.2E55 C72 T77N53-E55 VanDerWaalsContact C-N 3.32Å; N53-C72 PolarHBondContact ND2-SG 2.89Å; N53-T77 PolarHBondContact N-O 3.14Å; N53-T77 PolarHBondContact OD1-N 2.87Å; N53-T77 PolarHBondContact OD1-O 3Å
54G92.5Very high95.2Very high67 Ų6756 Ų5669%0.69133%0.326SS*.THydrogen-bonded Turntrans86.4-5.5-178.600000114.8I52I52-G54 PolarHBondContact O-N 3.01Å
55E95Very high95.4Very high77 Ų7753.7 Ų53.736%0.3631%0.31SS..EExtended strand (participates in β ladder)trans-88.8127.7174.4-61.3-177.6160.100110.9A51 I52 N53 T57 R68A51-E55 CarbonylContact C-O 3.5Å; A51-E55 WeakPolarHBondContact CA-O 3.47Å; A51-E55 VanDerWaalsContact CB-O 3.25Å; A51-E55 WeakPolarHBondContact CB-O 3.22Å; I52-E55 PolarHBondContact N-O 3.38Å; I52-E55 WeakPolarHBondContact O-CB 3.23Å; I52-E55 PolarHBondContact O-N 3.38Å; N53-E55 VanDerWaalsContact C-N 3.32Å; E55-T57 PolarHBondContact O-N 2.8Å; E55-R68 IonicContact OE1-CZ 2.87Å; E55-R68 IonicContact OE1-NH1 2.8Å; E55-R68 PolarHBondContact OE1-NH1 3.21Å; E55-R68 IonicContact OE1-NH2 3.42Å; E55-R68 PolarHBondContact OE1-NH2 3.47Å; E55-R68 IonicContact OE2-CZ 2.78Å; E55-R68 IonicContact OE2-NE 2.69Å; E55-R68 PolarHBondContact OE2-NE 3.47Å; E55-R68 IonicContact OE2-NH1 3.36Å; E55-R68 PolarHBondContact OE2-NH1 2.88Å; E55-R68 IonicContact OE2-NH2 2.66Å; E55-R68 PolarHBondContact OE2-NH2 2.69Å
56S95.3Very high95.4Very high77 Ų7752.9 Ų52.954%0.53830%0.299SS..EExtended strand (participates in β ladder)trans-61133.6177.61790000111.5Q50 E58Q50-S56 WeakPolarHBondContact O-CA 3.05Å; S56-E58 PolarHBondContact OG-N 3.42Å
57T95.4Very high95.5Very high11 Ų1155.3 Ų55.37%0.06730%0.303CS..  trans-91.2-1.9-179.751.30000113.9L27 I49 Q50 I52 E55 L59 M60L27-T57 HydrophobicContact CD1-CG2 4.04Å; I49-T57 HydrophobicContact CG2-CG2 4Å; I49-T57 PolarHBondContact O-OG1 3.32Å; Q50-T57 WeakPolarHBondContact CA-OG1 3.43Å; Q50-T57 PolarHBondContact O-N 3.19Å; Q50-T57 PolarHBondContact O-OG1 3.39Å; I52-T57 HydrophobicContact CB-CG2 4.35Å; I52-T57 HydrophobicContact CD1-CG2 3.68Å; I52-T57 HydrophobicContact CG1-CG2 3.67Å; E55-T57 PolarHBondContact O-N 2.8Å; T57-L59 VanDerWaalsContact C-N 3.27Å; T57-L59 PolarHBondContact O-N 2.93Å; T57-M60 HydrophobicContact CG2-CE 4.15Å; T57-M60 HydrophobicContact CG2-SD 4.38Å; T57-M60 PolarHBondContact O-N 3.45Å; T57-M60 VanDerWaalsContact O-N 3.14Å
58E92.4Very high95.5Very high158 Ų15861 Ų6174%0.73832%0.324SS*.THydrogen-bonded Turntrans-57.6-38.6-176.2-176.4175.8-16500112.9S56S56-E58 PolarHBondContact OG-N 3.42Å
59L93.1Very high95.5Very high114 Ų11459.4 Ų59.460%0.59732%0.315SS*.THydrogen-bonded Turntrans-101.94.3-179.4-59.9179000113.5R21 T57R21-L59 PolarHBondContact NE-O 2.88Å; R21-L59 PolarHBondContact NH1-O 2.88Å; R21-L59 PolarHBondContact NH2-O 3.47Å; T57-L59 VanDerWaalsContact C-N 3.27Å; T57-L59 PolarHBondContact O-N 2.93Å
60M95.6Very high95.4Very high16 Ų1664.9 Ų64.98%0.07934%0.339CS..  trans-83.6134.5-178.4-97.9168.951.400112R21 L27 I52 T57 E64 A65 R68R21-M60 WeakPolarHBondContact CB-O 3.25Å; R21-M60 PolarHBondContact N-O 3.01Å; L27-M60 HydrophobicContact CD1-CB 4.23Å; I52-M60 HydrophobicContact CD1-CE 3.65Å; T57-M60 HydrophobicContact CG2-CE 4.15Å; T57-M60 HydrophobicContact CG2-SD 4.38Å; T57-M60 PolarHBondContact O-N 3.45Å; T57-M60 VanDerWaalsContact O-N 3.14Å; M60-E64 HydrophobicContact CG-CB 4.05Å; M60-A65 HydrophobicContact CE-CB 3.44Å; M60-A65 VanDerWaalsContact CE-CB 3.44Å; M60-R68 HydrophobicContact CE-CG 4.26Å
61T97.1Very high95.3Very high33 Ų3363 Ų6320%0.20234%0.343CS..  trans-71.1161.1164.963.80000110.7D22 L63 E64 A65D22-T61 HydrophobicContact CB-CG2 4.26Å; D22-T61 WeakPolarHBondContact OD1-CA 3.4Å; T61-L63 VanDerWaalsContact C-N 3.28Å; T61-L63 PolarHBondContact O-N 2.97Å; T61-E64 WeakPolarHBondContact CB-OE2 3.4Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.46Å; T61-E64 PolarHBondContact N-OE2 2.77Å; T61-E64 PolarHBondContact O-N 3.24Å; T61-E64 WeakPolarHBondContact OG1-CB 3.36Å; T61-E64 VanDerWaalsContact OG1-CD 3.26Å; T61-E64 WeakPolarHBondContact OG1-CG 3.35Å; T61-E64 PolarHBondContact OG1-N 3.45Å; T61-E64 PolarHBondContact OG1-OE2 3.02Å; T61-A65 PolarHBondContact O-N 3.39Å
62H96.9Very high95.1Very high34 Ų3462.9 Ų62.916%0.15734%0.342CS..Hα-helixtrans-57-42.7176.2-172.972.9000112.4G19 D22 F23 A65 Q66G19-H62 WeakPolarHBondContact O-CB 3.32Å; G19-H62 PolarHBondContact O-ND1 2.92Å; D22-H62 WeakPolarHBondContact OD1-CB 3.49Å; D22-H62 PolarHBondContact OD1-N 2.63Å; F23-H62 HydrophobicContact CD2-CB 3.85Å; F23-H62 HydrophobicContact CE2-CB 3.48Å; F23-H62 VanDerWaalsContact CE2-CB 3.48Å; F23-H62 AromaticContact CE2-CG 3.81Å; H62-A65 PolarHBondContact O-N 3.26Å; H62-Q66 PolarHBondContact CD2-NE2 2.95Å; H62-Q66 PolarHBondContact NE2-NE2 3.31Å; H62-Q66 WeakPolarHBondContact O-CG 3.3Å; H62-Q66 PolarHBondContact O-N 3.26Å
63L96.7Very high94.9Very high104 Ų10469 Ų6955%0.54537%0.37SS..Hα-helixtrans-66.2-43.1179.6179.960.1000111.7T61 A65 Q66 N67T61-L63 VanDerWaalsContact C-N 3.28Å; T61-L63 PolarHBondContact O-N 2.97Å; L63-A65 VanDerWaalsContact C-N 3.29Å; L63-A65 PolarHBondContact O-N 3.43Å; L63-Q66 PolarHBondContact O-N 2.86Å; L63-N67 WeakPolarHBondContact O-CB 3.43Å; L63-N67 VanDerWaalsContact O-CG 3.25Å; L63-N67 PolarHBondContact O-N 3.13Å
64E96.7Very high94.9Very high86 Ų8671.5 Ų71.540%0.40238%0.384SS..Hα-helixtrans-58.4-44.4174.2-72.7166131.800110.6M60 T61 Q66 N67 R68M60-E64 HydrophobicContact CG-CB 4.05Å; T61-E64 WeakPolarHBondContact CB-OE2 3.4Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.46Å; T61-E64 PolarHBondContact N-OE2 2.77Å; T61-E64 PolarHBondContact O-N 3.24Å; T61-E64 WeakPolarHBondContact OG1-CB 3.36Å; T61-E64 VanDerWaalsContact OG1-CD 3.26Å; T61-E64 WeakPolarHBondContact OG1-CG 3.35Å; T61-E64 PolarHBondContact OG1-N 3.45Å; T61-E64 PolarHBondContact OG1-OE2 3.02Å; E64-Q66 PolarHBondContact O-N 2.98Å; E64-N67 PolarHBondContact O-N 3.1Å; E64-R68 VanDerWaalsContact O-CG 3.23Å; E64-R68 WeakPolarHBondContact O-CG 3.45Å; E64-R68 PolarHBondContact O-N 3.44Å
65A97Very high95Very high0 Ų073.1 Ų73.10%037%0.373CS..Hα-helixtrans-61.8-44.8177.400000112.7L17 L27 I52 M60 T61 H62 L63 N67 R68 I69L17-A65 HydrophobicContact CD2-CB 3.73Å; L27-A65 HydrophobicContact CD1-CB 3.79Å; L27-A65 HydrophobicContact CD2-CB 3.89Å; I52-A65 HydrophobicContact CD1-CB 3.95Å; M60-A65 HydrophobicContact CE-CB 3.44Å; M60-A65 VanDerWaalsContact CE-CB 3.44Å; T61-A65 PolarHBondContact O-N 3.39Å; H62-A65 PolarHBondContact O-N 3.26Å; L63-A65 VanDerWaalsContact C-N 3.29Å; L63-A65 PolarHBondContact O-N 3.43Å; A65-N67 VanDerWaalsContact C-N 3.35Å; A65-N67 PolarHBondContact O-N 2.92Å; A65-R68 PolarHBondContact O-N 2.9Å; A65-I69 WeakPolarHBondContact O-CB 3.38Å; A65-I69 WeakPolarHBondContact O-CD1 3.21Å; A65-I69 VanDerWaalsContact O-CG1 3.27Å; A65-I69 WeakPolarHBondContact O-CG1 3.47Å; A65-I69 PolarHBondContact O-N 3.29Å
66Q96.1Very high95.1Very high61 Ų6169.5 Ų69.529%0.28536%0.356SS..Hα-helixtrans-60.1-44.8173.9-73.6-166.530.100112.2L17 H62 L63 E64 I69 K70L17-Q66 HydrophobicContact CD2-CG 4.43Å; H62-Q66 PolarHBondContact CD2-NE2 2.95Å; H62-Q66 PolarHBondContact NE2-NE2 3.31Å; H62-Q66 WeakPolarHBondContact O-CG 3.3Å; H62-Q66 PolarHBondContact O-N 3.26Å; L63-Q66 PolarHBondContact O-N 2.86Å; E64-Q66 PolarHBondContact O-N 2.98Å; Q66-I69 PolarHBondContact O-N 2.94Å; Q66-K70 VanDerWaalsContact O-CB 3.3Å; Q66-K70 WeakPolarHBondContact O-CB 3.19Å; Q66-K70 WeakPolarHBondContact O-CG 3.29Å; Q66-K70 PolarHBondContact O-N 3.32Å
67N96Very high95.1Very high92 Ų9267.2 Ų67.249%0.49234%0.339SS..Hα-helixtrans-65.3-41.3-178.3-72.2-11.9000111.3L63 E64 A65 K70 G71L63-N67 WeakPolarHBondContact O-CB 3.43Å; L63-N67 VanDerWaalsContact O-CG 3.25Å; L63-N67 PolarHBondContact O-N 3.13Å; E64-N67 PolarHBondContact O-N 3.1Å; A65-N67 VanDerWaalsContact C-N 3.35Å; A65-N67 PolarHBondContact O-N 2.92Å; N67-K70 PolarHBondContact O-N 3.47Å; N67-G71 PolarHBondContact O-N 3.05Å
68R95.6Very high95.2Very high123 Ų12366.7 Ų66.746%0.46434%0.335SS..Hα-helixtrans-62.1-46.4174.7-66.3-66.4-175.7139.713.8111.8I52 E55 M60 E64 A65 G71 C72I52-R68 HydrophobicContact CG2-CB 4.12Å; E55-R68 IonicContact OE1-CZ 2.87Å; E55-R68 IonicContact OE1-NH1 2.8Å; E55-R68 PolarHBondContact OE1-NH1 3.21Å; E55-R68 IonicContact OE1-NH2 3.42Å; E55-R68 PolarHBondContact OE1-NH2 3.47Å; E55-R68 IonicContact OE2-CZ 2.78Å; E55-R68 IonicContact OE2-NE 2.69Å; E55-R68 PolarHBondContact OE2-NE 3.47Å; E55-R68 IonicContact OE2-NH1 3.36Å; E55-R68 PolarHBondContact OE2-NH1 2.88Å; E55-R68 IonicContact OE2-NH2 2.66Å; E55-R68 PolarHBondContact OE2-NH2 2.69Å; M60-R68 HydrophobicContact CE-CG 4.26Å; E64-R68 VanDerWaalsContact O-CG 3.23Å; E64-R68 WeakPolarHBondContact O-CG 3.45Å; E64-R68 PolarHBondContact O-N 3.44Å; A65-R68 PolarHBondContact O-N 2.9Å; R68-G71 PolarHBondContact O-N 2.83Å; R68-C72 PolarHBondContact O-SG 2.89Å
69I95.8Very high95.3Very high14 Ų1460.8 Ų60.87%0.07231%0.312CS..Hα-helixtrans-64.6-42.5178.3-71.6163.1000111.9W13 F15 L17 I52 A65 Q66 C72 L76W13-I69 PolarHBondContact NE1-O 2.79Å; F15-I69 HydrophobicContact CE2-CD1 4.15Å; F15-I69 HydrophobicContact CZ-CD1 3.95Å; F15-I69 HydrophobicContact CZ-CG1 4.46Å; F15-I69 HydrophobicContact CZ-CG2 4.07Å; L17-I69 HydrophobicContact CD2-CD1 3.98Å; I52-I69 HydrophobicContact CD1-CD1 4Å; I52-I69 HydrophobicContact CD1-CG1 4.09Å; I52-I69 HydrophobicContact CG2-CG1 4.28Å; A65-I69 WeakPolarHBondContact O-CB 3.38Å; A65-I69 WeakPolarHBondContact O-CD1 3.21Å; A65-I69 VanDerWaalsContact O-CG1 3.27Å; A65-I69 WeakPolarHBondContact O-CG1 3.47Å; A65-I69 PolarHBondContact O-N 3.29Å; Q66-I69 PolarHBondContact O-N 2.94Å; I69-C72 WeakPolarHBondContact O-CB 3.48Å; I69-C72 PolarHBondContact O-N 2.95Å; I69-L76 HydrophobicContact CB-CD2 4.48Å; I69-L76 HydrophobicContact CG1-CD1 4.28Å; I69-L76 HydrophobicContact CG1-CD2 4.31Å; I69-L76 HydrophobicContact CG2-CD2 3.87Å
70K93.9Very high95.5Very high121 Ų12155.4 Ų55.453%0.52628%0.283SS..Hα-helixtrans-71-31.2178.8-71.9170.9-173168.30112.3Q66 N67 C72Q66-K70 VanDerWaalsContact O-CB 3.3Å; Q66-K70 WeakPolarHBondContact O-CB 3.19Å; Q66-K70 WeakPolarHBondContact O-CG 3.29Å; Q66-K70 PolarHBondContact O-N 3.32Å; N67-K70 PolarHBondContact O-N 3.47Å; K70-C72 PolarHBondContact O-N 3.01Å
71G93.1Very high95.4Very high48 Ų4855.4 Ų55.450%0.49529%0.285SS..THydrogen-bonded Turntrans-71.2-10.1176.600000114.3N67 R68 H73N67-G71 PolarHBondContact O-N 3.05Å; R68-G71 PolarHBondContact O-N 2.83Å; G71-H73 PolarHBondContact O-CE1 2.82Å; G71-H73 PolarHBondContact O-ND1 3.24Å
72C92.9Very high95.2Very high10 Ų1058.8 Ų58.87%0.06829%0.294CS..  trans-79.6125.2176.5-620000110.9W13 N53 R68 I69 K70 H75 L76W13-C72 HydrophobicContact CH2-CB 4.39Å; W13-C72 HydrophobicContact CZ2-CB 3.54Å; W13-C72 WeakPolarHBondContact CZ2-O 3.39Å; N53-C72 PolarHBondContact ND2-SG 2.89Å; R68-C72 PolarHBondContact O-SG 2.89Å; I69-C72 WeakPolarHBondContact O-CB 3.48Å; I69-C72 PolarHBondContact O-N 2.95Å; K70-C72 PolarHBondContact O-N 3.01Å; C72-H75 WeakPolarHBondContact CB-O 3.34Å; C72-L76 HydrophobicContact CB-CB 4.12Å; C72-L76 HydrophobicContact CB-CD1 4.48Å
73H91.8Very high94.5Very high129 Ų12960.2 Ų60.260%0.59731%0.307SS*.SBendtrans-111.7-43-177.7-66.960.2000112.4G9 P10 G71G9-H73 CarbonylContact C-O 3.53Å; G9-H73 VanDerWaalsContact C-O 3.27Å; P10-H73 WeakPolarHBondContact CA-O 3.5Å; P10-H73 WeakPolarHBondContact CB-O 3.39Å; P10-H73 VanDerWaalsContact N-O 3.11Å; G71-H73 PolarHBondContact O-CE1 2.82Å; G71-H73 PolarHBondContact O-ND1 3.24Å
74D93.4Very high93.1Very high127 Ų12763 Ų6368%0.67932%0.317SS*.SBendtrans-94.1-43.5-176.9-59.8-73.8000113.1G9G9-D74 WeakPolarHBondContact CA-O 3.4Å; G9-D74 PolarHBondContact N-O 3.33Å
75H95.1Very high91.3Very high101 Ų10162.7 Ų62.747%0.46834%0.337SS..EExtended strand (participates in β ladder)trans-152.4153.5178.763.5-84.5000111.1T6 L7 C72T6-H75 HydrophobicContact CG2-CB 4.26Å; L7-H75 CarbonylContact O-C 3.6Å; L7-H75 WeakPolarHBondContact O-CA 3.21Å; L7-H75 WeakPolarHBondContact O-CB 3.45Å; C72-H75 WeakPolarHBondContact CB-O 3.34Å
76L96.3Very high88.9Confident0 Ų072 Ų720%037%0.372CS..EExtended strand (participates in β ladder)trans-127.4118.5173.2168.663.3000108.1T6 L7 W13 F15 I52 I69 C72 L78T6-L76 WeakPolarHBondContact CA-O 3.44Å; L7-L76 HydrophobicContact CB-CB 4.33Å; L7-L76 HydrophobicContact CD1-CD2 3.99Å; L7-L76 HydrophobicContact CD1-CG 4.37Å; L7-L76 PolarHBondContact N-O 2.88Å; L7-L76 PolarHBondContact O-N 2.93Å; W13-L76 HydrophobicContact CB-CD2 4.44Å; W13-L76 HydrophobicContact CD2-CB 4.03Å; W13-L76 HydrophobicContact CD2-CD2 3.75Å; W13-L76 HydrophobicContact CE3-CB 4.07Å; W13-L76 HydrophobicContact CE3-CD2 4.38Å; W13-L76 HydrophobicContact CG-CD2 3.74Å; W13-L76 HydrophobicContact CH2-CB 3.56Å; W13-L76 HydrophobicContact CZ2-CB 3.56Å; W13-L76 HydrophobicContact CZ2-CD2 4.44Å; W13-L76 HydrophobicContact CZ3-CB 3.83Å; F15-L76 HydrophobicContact CE1-CD2 3.98Å; F15-L76 HydrophobicContact CZ-CD2 4.15Å; I52-L76 HydrophobicContact CG2-CD1 3.92Å; I69-L76 HydrophobicContact CB-CD2 4.48Å; I69-L76 HydrophobicContact CG1-CD1 4.28Å; I69-L76 HydrophobicContact CG1-CD2 4.31Å; I69-L76 HydrophobicContact CG2-CD2 3.87Å; C72-L76 HydrophobicContact CB-CB 4.12Å; C72-L76 HydrophobicContact CB-CD1 4.48Å; L76-L78 HydrophobicContact CD1-CD2 3.84Å; L76-L78 HydrophobicContact CD1-CG 4.37Å; L76-L78 HydrophobicContact CD2-CD1 4.47Å; L76-L78 HydrophobicContact CD2-CD2 4.42Å; L76-L78 HydrophobicContact CD2-CG 4.48Å; L76-L78 HydrophobicContact CG-CD2 4.11Å; L76-L78 HydrophobicContact CG-CG 4.12Å
77T96.4Very high86.4Confident29 Ų2974.7 Ų74.718%0.17840%0.397CS..EExtended strand (participates in β ladder)trans-104.4126177.2-60.30000109.4S4 V5 T6 N53S4-T77 WeakPolarHBondContact OG-CG2 3.41Å; V5-T77 CarbonylContact O-C 3.27Å; V5-T77 WeakPolarHBondContact O-CA 3.32Å; T6-T77 PolarHBondContact OG1-OG1 3.26Å; N53-T77 PolarHBondContact N-O 3.14Å; N53-T77 PolarHBondContact OD1-N 2.87Å; N53-T77 PolarHBondContact OD1-O 3Å
78L96.6Very high84Confident0 Ų079.8 Ų79.80%041%0.41CS..EExtended strand (participates in β ladder)trans-120.3125.4178.5-59.6177.5000109.1S4 V5 F15 L43 I49 A51 I52 L76 V80S4-L78 WeakPolarHBondContact CA-O 3.37Å; V5-L78 PolarHBondContact N-O 3.13Å; V5-L78 PolarHBondContact O-N 2.75Å; F15-L78 HydrophobicContact CE1-CD1 4.22Å; F15-L78 HydrophobicContact CZ-CD1 3.98Å; L43-L78 HydrophobicContact CD1-CD1 3.89Å; I49-L78 HydrophobicContact CG2-CD2 4.28Å; A51-L78 WeakPolarHBondContact O-CA 3.36Å; I52-L78 HydrophobicContact CB-CD2 4.32Å; I52-L78 HydrophobicContact CG1-CD2 3.71Å; I52-L78 HydrophobicContact CG2-CD2 4.28Å; L76-L78 HydrophobicContact CD1-CD2 3.84Å; L76-L78 HydrophobicContact CD1-CG 4.37Å; L76-L78 HydrophobicContact CD2-CD1 4.47Å; L76-L78 HydrophobicContact CD2-CD2 4.42Å; L76-L78 HydrophobicContact CD2-CG 4.48Å; L76-L78 HydrophobicContact CG-CD2 4.11Å; L76-L78 HydrophobicContact CG-CG 4.12Å; L78-V80 HydrophobicContact CB-CG1 4.07Å
79S96.1Very high81.2Confident35 Ų3579.1 Ų79.125%0.24542%0.421CS..EExtended strand (participates in β ladder)trans-88.5112.8166.1-59.20000107.8Q50 A51Q50-S79 PolarHBondContact N-O 3.48Å; A51-S79 PolarHBondContact N-O 2.81Å; A51-S79 PolarHBondContact O-N 3.39Å
80V95.7Very high78.5Confident0 Ų083.9 Ų83.90%046%0.456CS..EExtended strand (participates in β ladder)trans-118.9147.2-176.1-650000111.7P2 H3 V5 L43 D47 L48 I49 L78P2-V80 CarbonylContact C-O 3.57Å; P2-V80 VanDerWaalsContact CA-O 3.31Å; P2-V80 WeakPolarHBondContact CA-O 3.18Å; H3-V80 PolarHBondContact N-O 3.32Å; H3-V80 WeakPolarHBondContact NE2-CG2 3.42Å; H3-V80 PolarHBondContact O-N 3.21Å; V5-V80 HydrophobicContact CG2-CG2 3.88Å; L43-V80 HydrophobicContact CD2-CG1 4.06Å; L43-V80 HydrophobicContact CD2-CG2 4.21Å; D47-V80 HydrophobicContact CB-CB 4.25Å; D47-V80 HydrophobicContact CB-CG1 4.43Å; L48-V80 CarbonylContact O-C 3.29Å; L48-V80 WeakPolarHBondContact O-CA 3.32Å; I49-V80 HydrophobicContact CG1-CG1 4.19Å; L78-V80 HydrophobicContact CB-CG1 4.07Å
81S94.8Very high76.2Confident17 Ų1782.3 Ų82.312%0.11947%0.465CS..EExtended strand (participates in β ladder)trans-120.3129.3168.656.40000110.8L48 Q50 P83L48-S81 WeakPolarHBondContact CB-O 3.49Å; L48-S81 PolarHBondContact N-O 3.28Å; L48-S81 PolarHBondContact O-N 3.29Å; Q50-S81 PolarHBondContact NE2-OG 2.88Å; S81-P83 WeakPolarHBondContact O-CD 3.49Å
82R91.6Very high73.9Confident103 Ų10386 Ų8639%0.38948%0.48SS..  trans-81.8120171.4-81.1169.6-172.5-175.95.6109.2A42 D47 E84A42-R82 PolarHBondContact O-NH2 2.72Å; D47-R82 WeakPolarHBondContact OD1-CG 3.27Å; D47-R82 IonicContact OD1-NE 3.56Å; R82-E84 PolarHBondContact O-N 3.42Å
83P82.9Confident71.6Confident64 Ų6491.9 Ų91.942%0.41651%0.512SS..  trans-68.5102.8166.127.2-30000108.3L48 S81 G85L48-P83 HydrophobicContact CD1-CB 4.46Å; L48-P83 HydrophobicContact CD1-CG 4.35Å; S81-P83 WeakPolarHBondContact O-CD 3.49Å; P83-G85 PolarHBondContact O-N 3.36Å
84E67.9Low69.5Low164 Ų16493.3 Ų93.377%0.76652%0.523SS*.THydrogen-bonded Turntrans-63.794.4174.9-66.3149.7-168.900108.2M1 R82M1-E84 PolarHBondContact N-OE1 2.69Å; R82-E84 PolarHBondContact O-N 3.42Å
85G57.6Low67.4Low79 Ų7991.6 Ų91.681%0.81452%0.521SS*.THydrogen-bonded Turntrans142.70174.600000117.7P83P83-G85 PolarHBondContact O-N 3.36Å
86R48.3Very low64.5Low196 Ų19695.7 Ų95.774%0.7454%0.538SS*.  trans-109.780.8170-152.3177.4-70.6-99.43.4109.3W88R86-W88 VanDerWaalsContact C-N 3.35Å; R86-W88 PolarHBondContact O-N 2.76Å
87S42.9Very low62Low117 Ų117100.3 Ų100.382%0.81858%0.576SS**  trans-63.2101162.3440000107.5
88W44.7Very low59.2Low198 Ų198107.6 Ų107.675%0.7561%0.608SS**  trans-62.5140162.9-147.4-99.7000107R86 S90R86-W88 VanDerWaalsContact C-N 3.35Å; R86-W88 PolarHBondContact O-N 2.76Å; W88-S90 PolarHBondContact O-N 2.67Å
89P37.3Very low56.3Low109 Ų109111 Ų11171%0.70864%0.636SS**  trans-58.1110.7175.222.1-30.2000107.8A91P89-A91 PolarHBondContact O-N 2.78Å
90S39.3Very low53.7Low115 Ų115117.9 Ų117.980%0.80466%0.664SS**PPolyproline II helixtrans-53.9127168.5-68.40000107W88W88-S90 PolarHBondContact O-N 2.67Å
91A45.7Very low50.9Low87 Ų87129.3 Ų129.372%0.71971%0.707SS**PPolyproline II helixtrans-53.8137.5166.200000108P89 D93P89-A91 PolarHBondContact O-N 2.78Å; A91-D93 PolarHBondContact O-N 3.49Å
92P44.7Very low48.1Very low125 Ų125135.1 Ų135.181%0.81274%0.742SS**PPolyproline II helixtrans-62128.4177.825.3-30.5000108.6D94P92-D94 PolarHBondContact O-N 3Å
93D44.8Very low45.3Very low135 Ų135138.3 Ų138.372%0.72276%0.761SS**PPolyproline II helixtrans-55.6118.8170.4-173.9-102.2000109A91 S95A91-D93 PolarHBondContact O-N 3.49Å; D93-S95 VanDerWaalsContact C-N 3.32Å; D93-S95 PolarHBondContact O-N 3.25Å; D93-S95 VanDerWaalsContact O-N 3.08Å; D93-S95 VanDerWaalsContact OD1-CB 3.3Å; D93-S95 WeakPolarHBondContact OD1-CB 3.38Å; D93-S95 PolarHBondContact OD1-OG 2.98Å
94D46.6Very low43Very low158 Ų158142 Ų14285%0.84578%0.775SS**  trans-76.690.5169-169.2-95.8000107.7P92P92-D94 PolarHBondContact O-N 3Å
95S50.4Low41.5Very low91 Ų91140.1 Ų140.164%0.63677%0.771SS**  trans-131.3104.9162.5-67.60000108.3D93D93-S95 VanDerWaalsContact C-N 3.32Å; D93-S95 PolarHBondContact O-N 3.25Å; D93-S95 VanDerWaalsContact O-N 3.08Å; D93-S95 VanDerWaalsContact OD1-CB 3.3Å; D93-S95 WeakPolarHBondContact OD1-CB 3.38Å; D93-S95 PolarHBondContact OD1-OG 2.98Å
96K34.2Very low40.8Very low188 Ų188141 Ų14182%0.81776%0.762SS**  trans101.1100.4160-154.6174.3-176.2-179.90116.4Q98K96-Q98 PolarHBondContact O-N 2.92Å
97A44.4Very low40.1Very low96 Ų96140.6 Ų140.679%0.79377%0.769SS**  trans-47.9130157.200000112.1
98Q37.3Very low39.7Very low182 Ų182141.2 Ų141.285%0.8576%0.761SS**  trans-156.8130.7137.8-155.8156.5-6.100113.3K96K96-Q98 PolarHBondContact O-N 2.92Å
99A35.9Very low39.2Very low71 Ų71139.8 Ų139.859%0.58776%0.763SS**  trans-25.9137.8168.800000118.7
100H41.5Very low38.8Very low181 Ų181141.7 Ų141.784%0.83877%0.767SS**  trans-1.8119.7141.6-13.8-78.7000116.4
101R35.3Very low38.3Very low240 Ų240139.3 Ų139.391%0.90676%0.761SS**  trans-163.2113.8141.5-116.8175.2161.787.40.3110.6H103R101-H103 PolarHBondContact O-N 3.3Å
102T36.1Very low37.7Very low138 Ų138140.8 Ų140.885%0.84777%0.766SS**  trans-59.7120.7164.742.70000109.1
103H33.2Very low37.4Very low170 Ų170140.4 Ų140.479%0.78776%0.764SS**  trans-93.7114.1173.4-164.7-100000109R101R101-H103 PolarHBondContact O-N 3.3Å
104I36Very low36.6Very low141 Ų141141 Ų14172%0.72377%0.766SS**  trans-74.5129.9167.3-69.3162.3000106.8
105D34.4Very low35.8Very low125 Ų125139.3 Ų139.367%0.66876%0.761SS**  trans-95130.2172.1-163.9-94.9000110.1
106P44.8Very low34.8Very low97 Ų97139.9 Ų139.963%0.6377%0.765SS**  trans-113.5121.8172.234.7-20.3000111.5
107E32.1Very low34.7Very low188 Ų188142 Ų14288%0.87977%0.767SS**  trans-132.2141.1156.9-90.2-164.383.300111.3
108I34.1Very low34.2Very low130 Ų130147.1 Ų147.167%0.66777%0.766SS**  trans-127.3139.9-159-72.1180000109.7
109Q34.2Very low34.4Very low169 Ų169144.5 Ų144.579%0.7977%0.765SS**  trans71.3139.9157.2-73.7164.962.200117.5
110D29.3Very low34.4Very low148 Ų148144.8 Ų144.879%0.79176%0.763SS**  cis-164162.741-147.7-67.7000112.6
111G29.3Very low34Very low66 Ų66140 Ų14068%0.6876%0.762SS**  trans101.290.3153.200000120.2
112S33.3Very low33.9Very low117 Ų117135.7 Ų135.782%0.81876%0.763SS**  trans-80.3172.8164.1-52.80000112.3
113P37.8Very low33.5Very low117 Ų117131.9 Ų131.976%0.7675%0.751SS**  -147.8146.477.636.3-16.2000117.2
114I29.3Very low33.5Very low149 Ų149131.1 Ų131.176%0.76476%0.758SS**  trans45.7121.8135.3-137.1165.9000118.5
115T29.7Very low33.2Very low122 Ų122128 Ų12875%0.74876%0.761SS**  -175.2138.182.1490000112.4
116S28.2Very low33.8Very low102 Ų102127.3 Ų127.371%0.71376%0.764SS**  trans60.2131.1133.2-117.30000124.9
117R32.1Very low33.2Very low232 Ų232130.3 Ų130.388%0.87577%0.769SS**  trans90.1101140.2-81174.4-159-93.2-0.6120.9
118R35.1Very low33.2Very low205 Ų205129.4 Ų129.477%0.77477%0.77SS**  trans-47.8162.2135.6-132.8-176.2-169.1-133-1.5111.8S120R118-S120 PolarHBondContact NH1-OG 3.34Å; R118-S120 PolarHBondContact NH2-OG 3.22Å
119P40.3Very low33.1Very low126 Ų126126.8 Ų126.882%0.81878%0.775SS**  -144.9163.676.933-12.6000116.3
120S37.2Very low33.2Very low78 Ų78130.5 Ų130.555%0.54578%0.782SS.*  trans-84.5163.6168.6-580000111.6R118R118-S120 PolarHBondContact NH1-OG 3.34Å; R118-S120 PolarHBondContact NH2-OG 3.22Å
121G33Very low34Very low79 Ų79128.7 Ų128.781%0.81478%0.779SS**  trans-171.1123.1165.400000113.2
122T31.9Very low34.1Very low150 Ų150130.8 Ų130.892%0.9278%0.783SS**  trans-94.5157.6-170-30.60000111.9
123G29.2Very low34.1Very low59 Ų59133.6 Ų133.661%0.60879%0.787SS**  trans142.3115.5143.900000120.5
124T31.9Very low33.6Very low153 Ų153132 Ų13294%0.93979%0.793SS**  trans75129.4138.156.10000122.3
125G29.5Very low33.8Very low75 Ų75130.5 Ų130.577%0.77380%0.795SS**  trans-84.5-144.8-173.900000116.2
126P47.3Very low34.7Very low112 Ų112130.2 Ų130.273%0.72780%0.795SS**  cis-142.6-158.34.239-13.9000115.5
127E31.8Very low34.8Very low160 Ų160136.9 Ų136.975%0.74881%0.807SS**  trans76.5121.1166.3-21.1-69.969.300124.6
128D31.6Very low34.9Very low169 Ų169128.9 Ų128.990%0.90480%0.796SS**  trans62130.8139.5-79.3-63.6000126.7
129G32.6Very low35.2Very low75 Ų75128.1 Ų128.177%0.77380%0.801SS**  trans134.897.9154.400000117.3
130R35.7Very low35.3Very low247 Ų247127.1 Ų127.193%0.93280%0.795SS**  trans-75.8-177.5164-68.1176135.1-162.10111.1
131P47.5Very low35.4Very low110 Ų110129.2 Ų129.271%0.71481%0.807SS**  -130.2165.4-68.138.5-22.7000111.9
132S30.3Very low35.4Very low110 Ų110137 Ų13777%0.76981%0.811SS**  trans-176120.6141.5-940000115
133L34.4Very low35.5Very low175 Ų175139.3 Ų139.392%0.91681%0.809SS**  trans41.9105.6137.9-71.7131000119.4
134G26.1Very low36.1Very low85 Ų85142.5 Ų142.588%0.87682%0.819SS**  trans-140.6112.1156.600000110.9
135S34.8Very low36.6Very low116 Ų116141.6 Ų141.681%0.81181%0.813SS**  trans-156.5157.1163.5-166.10000106.7
136P47.8Very low37.3Very low116 Ų116143.7 Ų143.775%0.75381%0.813SS**  cis-122.8164.7-19.822-0.2000112.3
137Y30.1Very low36.6Very low243 Ų243147.3 Ų147.395%0.95382%0.82SS**  trans-95.3124.2165-125.3-96.8000109.5
138G34.8Very low36.5Very low63 Ų63147.8 Ų147.865%0.64983%0.828SS**  trans-152.910917500000112
139Q41.3Very low36.5Very low189 Ų189142.8 Ų142.888%0.88382%0.816SS**  trans69.4177.1152.6-52.9-166.3-66.400119.5
140P41.5Very low36.4Very low106 Ų106144.1 Ų144.169%0.68881%0.814SS**  -123.4-171.5-78.741.1-23.5000110.6
141P39.3Very low36.3Very low122 Ų122136.7 Ų136.779%0.79280%0.8SS**  trans-84151.6-163.633.3-30.8000114.6
142R34.5Very low35.6Very low241 Ų241140 Ų14091%0.90981%0.806SS**  trans-93147.1-177.5-66.1-166.8171154.9-0.4112.6
143F34Very low36.1Very low199 Ų199139.2 Ų139.287%0.87381%0.806SS**  trans-106.5151.4158.2-70.6-78000110.2
144P41.9Very low36.2Very low126 Ų126137.5 Ų137.582%0.81880%0.803SS**  trans-93.2143-1651.619.4000113.7
145V40.9Very low36.7Very low135 Ų135141.1 Ų141.182%0.81880%0.801SS**  trans-116.2133.2165.6178.30000107.1
146P44.5Very low37.3Very low118 Ų118141.1 Ų141.177%0.76680%0.798SS**  trans-85.5128178.731.8-29.7000112.4
147H34.2Very low36.6Very low188 Ų188139.4 Ų139.487%0.8779%0.794SS**  trans1.8130.5152.3-69.1-91.7000120.6
148N29.5Very low36.8Very low170 Ų170135.4 Ų135.491%0.90978%0.784SS**  trans-141.7128.4140.2-167.923000110.2
149G30.8Very low36.6Very low65 Ų65139.4 Ų139.467%0.6779%0.787SS**  trans-156.1146.9166.700000105.4
150S31.3Very low36.3Very low103 Ų103135 Ų13572%0.7278%0.778SS**  cis-171.5159.621.4173.30000107.4
151S33.9Very low36Very low90 Ų90136.1 Ų136.163%0.62978%0.782SS**  trans63.3132.3148.238.10000117.8
152E31.9Very low35.5Very low181 Ų181138.8 Ų138.885%0.84679%0.789SS**  cis-162.2161.746.3-63.1-79.757.900110
153A40.6Very low35.6Very low93 Ų93134.9 Ų134.977%0.76978%0.781SS**  trans-75.6140.9-178.900000114.7
154T36.5Very low35.6Very low139 Ų139131.6 Ų131.685%0.85378%0.777SS**  trans-168.9122.5149.4-680000109.3
155L37.3Very low35.4Very low161 Ų161129.4 Ų129.484%0.84377%0.765SS**  trans-92.7158.4158.2-68-178.7000107.4
156P45.8Very low35.5Very low115 Ų115128.4 Ų128.475%0.74776%0.761SS**  cis-150.2168.234.940.8-19.1000118.4
157A33.7Very low35.3Very low80 Ų80128.4 Ų128.466%0.66176%0.761SS**  trans65135.6140.900000121.9
158Q35.4Very low35.8Very low159 Ų159125.9 Ų125.974%0.74376%0.761SS**  trans99.7122.4144.9-43.3-151.810.200118.3
159M30.1Very low36.1Very low147 Ų147123.4 Ų123.472%0.72476%0.757SS**  trans75.3124.4135.477.6178.87500120.3
160S35Very low36.5Very low98 Ų98125.3 Ų125.369%0.68577%0.767SS**  trans91124.4134.6-60.60000120
161T34.1Very low36.7Very low128 Ų128127.4 Ų127.479%0.78577%0.77SS**  trans74.885.8139.350.50000118.9H163T161-H163 PolarHBondContact O-N 2.81Å
162L30.3Very low37.5Very low178 Ų178128.8 Ų128.893%0.93278%0.776SS**  trans-83.6102.7149.2-73.6175.8000109.2
163H36.1Very low37.6Very low159 Ų159124 Ų12474%0.73677%0.768SS**  trans-82.8118.1169.6176.4-107.6000108.7T161 S165T161-H163 PolarHBondContact O-N 2.81Å; H163-S165 PolarHBondContact CE1-OG 3.08Å; H163-S165 PolarHBondContact ND1-OG 3.07Å
164V34.8Very low37.3Very low130 Ų130131.4 Ų131.479%0.78878%0.776SS**  trans-111.3110.7169.1177.40000107
165S35.8Very low37.1Very low81 Ų81128.7 Ų128.757%0.56678%0.776SS**PPolyproline II helixtrans-87.7132.3173.7-53.80000111.1H163H163-S165 PolarHBondContact CE1-OG 3.08Å; H163-S165 PolarHBondContact ND1-OG 3.07Å
166P43.8Very low37.3Very low113 Ų113129 Ų12973%0.73478%0.777SS**PPolyproline II helixtrans-86.1162.8162.2-2.322.2000111.8
167P40.7Very low37.3Very low119 Ų119129.5 Ų129.577%0.77378%0.781SS**PPolyproline II helixtrans-75.2161.2-170.532-35.5000113.9
168P44.8Very low37.7Very low134 Ų134137 Ų13787%0.8779%0.792SS**PPolyproline II helixtrans-83.8132.8-169.732.6-33.8000113.4
169S36.2Very low37.9Very low118 Ų118134.3 Ų134.383%0.82579%0.79SS**  trans-108.3137161.753.90000109.7
170A38.2Very low38.9Very low105 Ų105138 Ų13887%0.86880%0.796SS**  trans-71.5142-176.300000114.1
171D36Very low39.2Very low148 Ų148140.7 Ų140.779%0.79180%0.803SS**  trans-70.5172169.6-121.4-34000111.7
172P49.5Very low40Very low118 Ų118141.2 Ų141.277%0.76681%0.811SS**  cis-149.1155.342.736.8-12.6000120.5
173A34Very low41.2Very low80 Ų80143.1 Ų143.166%0.66181%0.805SS**  trans84.2113.4132.600000122.2
174R35.7Very low42.1Very low250 Ų250140.2 Ų140.294%0.94380%0.799SS**  175.5124.497.2-98.2-175.8168.9176.3-2.4113.5
175G32.3Very low43.2Very low82 Ų82139.3 Ų139.385%0.84579%0.789SS**  trans80.2111.9134.200000120
176L41.7Very low44.4Very low166 Ų166140.6 Ų140.687%0.86979%0.789SS**  trans-100.7150.3152.8-87.9164.2000108.7
177P45.8Very low45.2Very low127 Ų127138.3 Ų138.383%0.82579%0.786SS**  -140.2163.294.635-18.5000116
178R40.5Very low46.6Very low236 Ų236134.8 Ų134.889%0.89176%0.764SS**  trans-47147.8-179.9-56.5167.198.71534.7115.6
179S40.9Very low47.4Very low103 Ų103134.8 Ų134.872%0.7275%0.753SS**  118.1114.3123.1-169.10000116.2
180R49.8Very low49Very low224 Ų224133.3 Ų133.385%0.84574%0.739SS**  trans58.880.5153.6-76.7177.6161179.8-5.6116.2
181D43.1Very low50.2Low155 Ų155130 Ų13083%0.82970%0.704SS**  -150117.3124-86-47.3000107.3R183D181-R183 PolarHBondContact O-N 3.2Å
182C49.5Very low51.7Low140 Ų140129.9 Ų129.995%0.94669%0.692SS**  trans-72.366.6169.5-64.50000108.3V184C182-V184 PolarHBondContact O-N 3.35Å; C182-V184 VanDerWaalsContact O-N 3.15Å
183R56.2Low52.4Low218 Ų218131.2 Ų131.282%0.82369%0.69SS**  trans-80.296.2171.1-156.3-180-168.3-1633.3106.4D181 D185D181-R183 PolarHBondContact O-N 3.2Å; R183-D185 PolarHBondContact O-N 3.13Å; R183-D185 VanDerWaalsContact O-N 3.11Å
184V54.7Low53.9Low98 Ų98133.9 Ų133.959%0.59469%0.692SS**  trans-47.8119.1165.6-102.50000107.8C182 L186 Y191C182-V184 PolarHBondContact O-N 3.35Å; C182-V184 VanDerWaalsContact O-N 3.15Å; V184-L186 PolarHBondContact O-N 3.08Å; V184-Y191 HydrophobicContact CB-CE2 4.3Å; V184-Y191 HydrophobicContact CG2-CE2 4.42Å
185D57.8Low55Low111 Ų111129 Ų12959%0.59467%0.674SS**  trans-64.2106.3175.5179.651.8000108.3R183 G187 S188R183-D185 PolarHBondContact O-N 3.13Å; R183-D185 VanDerWaalsContact O-N 3.11Å; D185-G187 PolarHBondContact O-N 3.03Å; D185-G187 VanDerWaalsContact O-N 3.14Å; D185-S188 VanDerWaalsContact O-CB 3.26Å; D185-S188 WeakPolarHBondContact O-CB 2.98Å; D185-S188 PolarHBondContact O-N 2.98Å; D185-S188 PolarHBondContact OD2-N 3Å; D185-S188 VanDerWaalsContact OD2-N 3.09Å
186L61.8Low55.6Low107 Ų107133 Ų13356%0.5667%0.671SS**THydrogen-bonded Turntrans-66.5-10.9-177.3-81.8108.2000113V184 Y191V184-L186 PolarHBondContact O-N 3.08Å; L186-Y191 HydrophobicContact CB-CD1 4.31Å; L186-Y191 HydrophobicContact CB-CE1 3.79Å; L186-Y191 HydrophobicContact CD2-CE1 3.56Å; L186-Y191 WeakPolarHBondContact CD2-OH 3.33Å; L186-Y191 HydrophobicContact CG-CD1 4.4Å; L186-Y191 HydrophobicContact CG-CE1 3.46Å; L186-Y191 VanDerWaalsContact CG-CE1 3.46Å; L186-Y191 VanDerWaalsContact CG-OH 3.24Å; L186-Y191 WeakPolarHBondContact CG-OH 3.44Å; L186-Y191 WeakPolarHBondContact O-CD1 3.29Å
187G59.9Low56.3Low65 Ų65130.5 Ų130.567%0.6766%0.664SS**THydrogen-bonded Turntrans-92.5-6172.900000114.2D185 E189D185-G187 PolarHBondContact O-N 3.03Å; D185-G187 VanDerWaalsContact O-N 3.14Å; G187-E189 PolarHBondContact O-N 3.12Å
188S70.3Confident56.5Low45 Ų45128.7 Ų128.732%0.31566%0.66SS.*  trans-61.7133.1-178.9-178.40000110.5D185 V190 Y191 R192D185-S188 VanDerWaalsContact O-CB 3.26Å; D185-S188 WeakPolarHBondContact O-CB 2.98Å; D185-S188 PolarHBondContact O-N 2.98Å; D185-S188 PolarHBondContact OD2-N 3Å; D185-S188 VanDerWaalsContact OD2-N 3.09Å; S188-V190 PolarHBondContact O-N 2.94Å; S188-V190 VanDerWaalsContact O-N 3.15Å; S188-Y191 CarbonylContact O-C 3.44Å; S188-Y191 WeakPolarHBondContact O-CA 3.2Å; S188-Y191 VanDerWaalsContact O-CB 3.29Å; S188-Y191 WeakPolarHBondContact O-CB 3.48Å; S188-Y191 PolarHBondContact O-N 2.65Å; S188-R192 PolarHBondContact O-N 2.73Å
189E61.7Low56.5Low134 Ų134126.4 Ų126.463%0.62666%0.659SS**Hα-helixtrans-58.8-30.4-179.1-158.3158.8-143.400112.3G187 R192 M193G187-E189 PolarHBondContact O-N 3.12Å; E189-R192 PolarHBondContact O-N 3.42Å; E189-R192 IonicContact OE1-NH2 3.19Å; E189-R192 PolarHBondContact OE1-NH2 3.11Å; E189-M193 WeakPolarHBondContact O-CG 3.33Å; E189-M193 PolarHBondContact O-N 2.91Å; E189-M193 VanDerWaalsContact O-N 3.15Å
190V68.6Low56.7Low87 Ų87126.5 Ų126.553%0.52766%0.66SS.*Hα-helixtrans-66-40172.1179.20000111.4S188 M193 L194S188-V190 PolarHBondContact O-N 2.94Å; S188-V190 VanDerWaalsContact O-N 3.15Å; V190-M193 PolarHBondContact O-N 2.9Å; V190-L194 HydrophobicContact CG1-CD1 4.04Å; V190-L194 WeakPolarHBondContact O-CD1 3.22Å; V190-L194 VanDerWaalsContact O-CG 3.27Å; V190-L194 WeakPolarHBondContact O-CG 3.35Å; V190-L194 PolarHBondContact O-N 2.78Å
191Y64.7Low56.3Low35 Ų35122.2 Ų122.214%0.13766%0.659CS.*Hα-helixtrans-72.5-32.5177.8-169.6-100.7000112V184 L186 S188 L194 R195V184-Y191 HydrophobicContact CB-CE2 4.3Å; V184-Y191 HydrophobicContact CG2-CE2 4.42Å; L186-Y191 HydrophobicContact CB-CD1 4.31Å; L186-Y191 HydrophobicContact CB-CE1 3.79Å; L186-Y191 HydrophobicContact CD2-CE1 3.56Å; L186-Y191 WeakPolarHBondContact CD2-OH 3.33Å; L186-Y191 HydrophobicContact CG-CD1 4.4Å; L186-Y191 HydrophobicContact CG-CE1 3.46Å; L186-Y191 VanDerWaalsContact CG-CE1 3.46Å; L186-Y191 VanDerWaalsContact CG-OH 3.24Å; L186-Y191 WeakPolarHBondContact CG-OH 3.44Å; L186-Y191 WeakPolarHBondContact O-CD1 3.29Å; S188-Y191 CarbonylContact O-C 3.44Å; S188-Y191 WeakPolarHBondContact O-CA 3.2Å; S188-Y191 VanDerWaalsContact O-CB 3.29Å; S188-Y191 WeakPolarHBondContact O-CB 3.48Å; S188-Y191 PolarHBondContact O-N 2.65Å; Y191-L194 PolarHBondContact O-N 3.49Å; Y191-R195 HydrophobicContact CD1-CG 4.06Å; Y191-R195 HydrophobicContact CE1-CG 3.98Å; Y191-R195 HydrophobicContact CE2-CG 4.45Å; Y191-R195 HydrophobicContact CG-CG 4.41Å; Y191-R195 VanDerWaalsContact O-CB 3.28Å; Y191-R195 WeakPolarHBondContact O-CB 3.41Å; Y191-R195 WeakPolarHBondContact O-CG 3.35Å; Y191-R195 PolarHBondContact O-N 3.45Å; Y191-R195 VanDerWaalsContact O-N 3.14Å; Y191-R195 PolarHBondContact OH-NE 2.84Å; Y191-R195 PolarHBondContact OH-NH1 3.44Å; Y191-R195 PolarHBondContact OH-NH2 3.02Å
192R67.8Low56.6Low146 Ų146119.5 Ų119.555%0.55166%0.658SS**Hα-helixtrans-61.2-43.6170.1-171.6174.963.1174.2-4.3111.6S188 E189 L194 R195S188-R192 PolarHBondContact O-N 2.73Å; E189-R192 PolarHBondContact O-N 3.42Å; E189-R192 IonicContact OE1-NH2 3.19Å; E189-R192 PolarHBondContact OE1-NH2 3.11Å; R192-L194 PolarHBondContact O-N 3.43Å; R192-R195 PolarHBondContact O-N 3.4Å
193M63.1Low56.6Low147 Ų147117.5 Ų117.572%0.72465%0.652SS**Hα-helixtrans-66.4-25.8175.8-65.1-168.2-38.700113.6E189 V190E189-M193 WeakPolarHBondContact O-CG 3.33Å; E189-M193 PolarHBondContact O-N 2.91Å; E189-M193 VanDerWaalsContact O-N 3.15Å; V190-M193 PolarHBondContact O-N 2.9Å
194L67Low56.6Low135 Ų135112.9 Ų112.971%0.70764%0.639SS**Hα-helixtrans-89.5-8.5-179.4-68.5166.8000113.3V190 Y191 R192V190-L194 HydrophobicContact CG1-CD1 4.04Å; V190-L194 WeakPolarHBondContact O-CD1 3.22Å; V190-L194 VanDerWaalsContact O-CG 3.27Å; V190-L194 WeakPolarHBondContact O-CG 3.35Å; V190-L194 PolarHBondContact O-N 2.78Å; Y191-L194 PolarHBondContact O-N 3.49Å; R192-L194 PolarHBondContact O-N 3.43Å
195R57.1Low56.6Low149 Ų149113.5 Ų113.556%0.56265%0.645SS**Hα-helixtrans-1217-170.2-75.4-145.6170.3-156.6-5.1116.8Y191 R192 P197Y191-R195 HydrophobicContact CD1-CG 4.06Å; Y191-R195 HydrophobicContact CE1-CG 3.98Å; Y191-R195 HydrophobicContact CE2-CG 4.45Å; Y191-R195 HydrophobicContact CG-CG 4.41Å; Y191-R195 VanDerWaalsContact O-CB 3.28Å; Y191-R195 WeakPolarHBondContact O-CB 3.41Å; Y191-R195 WeakPolarHBondContact O-CG 3.35Å; Y191-R195 PolarHBondContact O-N 3.45Å; Y191-R195 VanDerWaalsContact O-N 3.14Å; Y191-R195 PolarHBondContact OH-NE 2.84Å; Y191-R195 PolarHBondContact OH-NH1 3.44Å; Y191-R195 PolarHBondContact OH-NH2 3.02Å; R192-R195 PolarHBondContact O-N 3.4Å; R195-P197 WeakPolarHBondContact O-CD 3.23Å
196E45.5Very low56.8Low166 Ų166118.7 Ų118.778%0.77666%0.662SS**  trans-97.680.1165.2-66.8-175.6146.200110.8
197P56.5Low56.6Low112 Ų112116.4 Ų116.473%0.72765%0.649SS**  trans-81.5126.1152.218-6.4000110.1R195R195-P197 WeakPolarHBondContact O-CD 3.23Å
198A49.8Very low57.1Low89 Ų89116.7 Ų116.774%0.73664%0.641SS**  trans91.5102.8160.500000117.6
199E40.3Very low57.3Low188 Ų188117.6 Ų117.688%0.87966%0.657SS**  -171.9143.696.3-95175.293.600110.9
200S45.6Very low57.7Low106 Ų106115 Ų11574%0.74165%0.654SS**  trans-38.1138.8177.449.10000114.7
201V41.2Very low57.9Low133 Ų133116.5 Ų116.581%0.80665%0.653SS**  -152.9135.674.7172.20000110.7A203V201-A203 PolarHBondContact O-N 3.17Å
202A49.8Very low58.4Low98 Ų98120.7 Ų120.781%0.8167%0.669SS**  trans-47.6119.6175.800000113.9
203A48.7Very low58.8Low99 Ų99121.5 Ų121.582%0.81867%0.673SS**  trans-118.594.6159.900000107.8V201V201-A203 PolarHBondContact O-N 3.17Å
204E57.8Low59.5Low121 Ų121118.5 Ų118.557%0.56566%0.66SS**  trans-54.6150.3169.6-84.2-177.8106.700111K206 R212E204-K206 PolarHBondContact O-N 2.71Å; E204-R212 IonicContact OE1-CZ 3.39Å; E204-R212 IonicContact OE1-NH1 2.73Å; E204-R212 IonicContact OE1-NH2 3.9Å; E204-R212 PolarHBondContact OE1-NH2 3.49Å; E204-R212 IonicContact OE2-CZ 2.65Å; E204-R212 IonicContact OE2-NH1 3.71Å; E204-R212 PolarHBondContact OE2-NH1 3.04Å; E204-R212 IonicContact OE2-NH2 2.71Å; E204-R212 PolarHBondContact OE2-NH2 2.93Å
205P53Low59.8Low110 Ų110115.1 Ų115.171%0.71464%0.64SS**  trans-54.4133.317621.3-30.1000109.8Q207P205-Q207 PolarHBondContact O-N 3.41Å
206K63.8Low60.5Low220 Ų220109.8 Ų109.896%0.95763%0.632SS**  trans-64.780.8-179.2-78174.5176.3171.80110.6E204E204-K206 PolarHBondContact O-N 2.71Å
207Q57.4Low61.8Low60 Ų60106.8 Ų106.828%0.2862%0.619SS.*  trans-78.4133.3175-177.5162.3-42.500108.9P205 F211 R212P205-Q207 PolarHBondContact O-N 3.41Å; Q207-F211 HydrophobicContact CG-CB 3.67Å; Q207-F211 HydrophobicContact CG-CD1 3.55Å; Q207-F211 HydrophobicContact CG-CG 4.07Å; Q207-F211 VanDerWaalsContact NE2-C 3.27Å; Q207-F211 PolarHBondContact NE2-O 2.69Å; Q207-R212 HydrophobicContact CB-CG 4.3Å; Q207-R212 HydrophobicContact CG-CG 4.12Å
208S69.4Low62.3Low71 Ų71108.1 Ų108.150%0.49762%0.619SS.*  trans-57.6141176.653.50000109.9S210 F211 R212S208-S210 PolarHBondContact O-N 3.05Å; S208-S210 PolarHBondContact OG-OG 3.05Å; S208-F211 PolarHBondContact O-N 3.47Å; S208-R212 PolarHBondContact O-N 3.32Å
209G74.1Confident63.1Low63 Ų63109.8 Ų109.865%0.64961%0.612SS**Hα-helixtrans-55.9-27.6-17400000113.9Y213G209-Y213 PolarHBondContact O-N 2.87Å; G209-Y213 VanDerWaalsContact O-N 3.17Å
210S70Confident64.2Low81 Ų81105 Ų10557%0.56660%0.604SS**Hα-helixtrans-66-37.8172.851.30000113.3S208 Y213 L214S208-S210 PolarHBondContact O-N 3.05Å; S208-S210 PolarHBondContact OG-OG 3.05Å; S210-Y213 PolarHBondContact O-N 3.23Å; S210-L214 WeakPolarHBondContact O-CG 3.4Å; S210-L214 PolarHBondContact O-N 2.9Å; S210-L214 VanDerWaalsContact O-N 3.14Å
211F73.6Confident64.6Low117 Ų117103.2 Ų103.251%0.51360%0.603SS.*Hα-helixtrans-76.3-32.1179.7-160.5-119.9000111.3Q207 S208 L214 Q215Q207-F211 HydrophobicContact CG-CB 3.67Å; Q207-F211 HydrophobicContact CG-CD1 3.55Å; Q207-F211 HydrophobicContact CG-CG 4.07Å; Q207-F211 VanDerWaalsContact NE2-C 3.27Å; Q207-F211 PolarHBondContact NE2-O 2.69Å; S208-F211 PolarHBondContact O-N 3.47Å; F211-L214 PolarHBondContact O-N 3.36Å; F211-Q215 WeakPolarHBondContact O-CB 3.33Å; F211-Q215 PolarHBondContact O-N 3.31Å
212R76.2Confident65.6Low124 Ų124105.8 Ų105.847%0.46861%0.606SS.*Hα-helixtrans-64.1-39169.2-72.5-145.694.1136.312.2112.6E204 Q207 S208 Q215 G216E204-R212 IonicContact OE1-CZ 3.39Å; E204-R212 IonicContact OE1-NH1 2.73Å; E204-R212 IonicContact OE1-NH2 3.9Å; E204-R212 PolarHBondContact OE1-NH2 3.49Å; E204-R212 IonicContact OE2-CZ 2.65Å; E204-R212 IonicContact OE2-NH1 3.71Å; E204-R212 PolarHBondContact OE2-NH1 3.04Å; E204-R212 IonicContact OE2-NH2 2.71Å; E204-R212 PolarHBondContact OE2-NH2 2.93Å; Q207-R212 HydrophobicContact CB-CG 4.3Å; Q207-R212 HydrophobicContact CG-CG 4.12Å; S208-R212 PolarHBondContact O-N 3.32Å; R212-Q215 PolarHBondContact O-N 3.03Å; R212-G216 PolarHBondContact O-N 2.91Å
213Y76Confident65.3Low162 Ų162104.8 Ų104.864%0.63561%0.605SS**Hα-helixtrans-63.3-44.1176.8-177.1-94.4000111.9G209 S210 G216 M217G209-Y213 PolarHBondContact O-N 2.87Å; G209-Y213 VanDerWaalsContact O-N 3.17Å; S210-Y213 PolarHBondContact O-N 3.23Å; Y213-G216 PolarHBondContact O-N 3.37Å; Y213-M217 HydrophobicContact CD1-SD 4.25Å; Y213-M217 HydrophobicContact CE1-CE 4.4Å; Y213-M217 HydrophobicContact CE1-CG 4.19Å; Y213-M217 HydrophobicContact CE1-SD 3.53Å; Y213-M217 VanDerWaalsContact CE1-SD 3.53Å; Y213-M217 WeakPolarHBondContact O-CG 3.35Å; Y213-M217 PolarHBondContact O-N 3.37Å
214L77.3Confident65.4Low85 Ų85103.6 Ų103.645%0.44560%0.603SS.*Hα-helixtrans-65.5-38.5176.7-69170.2000112.4S210 F211 M217 L218S210-L214 WeakPolarHBondContact O-CG 3.4Å; S210-L214 PolarHBondContact O-N 2.9Å; S210-L214 VanDerWaalsContact O-N 3.14Å; F211-L214 PolarHBondContact O-N 3.36Å; L214-M217 HydrophobicContact CD2-CE 3.85Å; L214-M217 PolarHBondContact O-N 3.13Å; L214-L218 WeakPolarHBondContact O-CD1 3.45Å; L214-L218 PolarHBondContact O-N 2.95Å; L214-L218 VanDerWaalsContact O-N 3.15Å
215Q74.1Confident64.4Low64 Ų64107.5 Ų107.530%0.29962%0.621SS.*Hα-helixtrans-63.4-43.6175.3-176.3166.92.900111.7F211 R212 M217 L218 E219F211-Q215 WeakPolarHBondContact O-CB 3.33Å; F211-Q215 PolarHBondContact O-N 3.31Å; R212-Q215 PolarHBondContact O-N 3.03Å; Q215-M217 VanDerWaalsContact C-N 3.28Å; Q215-M217 PolarHBondContact O-N 3.15Å; Q215-L218 PolarHBondContact O-N 3.3Å; Q215-L218 VanDerWaalsContact O-N 3.12Å; Q215-E219 HydrophobicContact CG-CG 4.26Å; Q215-E219 VanDerWaalsContact CG-OE1 3.25Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.48Å; Q215-E219 PolarHBondContact NE2-OE1 3.47Å; Q215-E219 WeakPolarHBondContact O-CB 3.34Å; Q215-E219 WeakPolarHBondContact O-CG 3.29Å; Q215-E219 PolarHBondContact O-N 3.14Å
216G70.3Confident64.6Low37 Ų37112.3 Ų112.338%0.38163%0.625SS.*Hα-helixtrans-63.5-28.8175.600000114.2R212 Y213 A220R212-G216 PolarHBondContact O-N 2.91Å; Y213-G216 PolarHBondContact O-N 3.37Å; G216-A220 VanDerWaalsContact O-CB 3.29Å; G216-A220 WeakPolarHBondContact O-CB 3.47Å; G216-A220 PolarHBondContact O-N 3.19Å
217M73.1Confident63.8Low102 Ų102108.1 Ų108.150%0.50262%0.62SS.*Hα-helixtrans-76-32.2173.3-65.8-166.5-34.800113.2Y213 L214 Q215Y213-M217 HydrophobicContact CD1-SD 4.25Å; Y213-M217 HydrophobicContact CE1-CE 4.4Å; Y213-M217 HydrophobicContact CE1-CG 4.19Å; Y213-M217 HydrophobicContact CE1-SD 3.53Å; Y213-M217 VanDerWaalsContact CE1-SD 3.53Å; Y213-M217 WeakPolarHBondContact O-CG 3.35Å; Y213-M217 PolarHBondContact O-N 3.37Å; L214-M217 HydrophobicContact CD2-CE 3.85Å; L214-M217 PolarHBondContact O-N 3.13Å; Q215-M217 VanDerWaalsContact C-N 3.28Å; Q215-M217 PolarHBondContact O-N 3.15Å
218L67.1Low63.1Low141 Ų141107.9 Ų107.974%0.73863%0.634SS**Hα-helixtrans-73.2-42.2174.1-99.789.4000111.4L214 Q215 A220 G221L214-L218 WeakPolarHBondContact O-CD1 3.45Å; L214-L218 PolarHBondContact O-N 2.95Å; L214-L218 VanDerWaalsContact O-N 3.15Å; Q215-L218 PolarHBondContact O-N 3.3Å; Q215-L218 VanDerWaalsContact O-N 3.12Å; L218-A220 VanDerWaalsContact C-N 3.28Å; L218-A220 PolarHBondContact O-N 3.18Å; L218-G221 PolarHBondContact O-N 3.38Å; L218-G221 VanDerWaalsContact O-N 3.13Å
219E67.4Low62Low124 Ų124111.1 Ų111.158%0.57965%0.653SS**Hα-helixtrans-67.3-28.6179.4-70.7168.4166.700112.1Q215 G221Q215-E219 HydrophobicContact CG-CG 4.26Å; Q215-E219 VanDerWaalsContact CG-OE1 3.25Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.48Å; Q215-E219 PolarHBondContact NE2-OE1 3.47Å; Q215-E219 WeakPolarHBondContact O-CB 3.34Å; Q215-E219 WeakPolarHBondContact O-CG 3.29Å; Q215-E219 PolarHBondContact O-N 3.14Å; E219-G221 PolarHBondContact O-N 3.3Å
220A62.7Low60.2Low88 Ų88111.8 Ų111.873%0.72766%0.66SS**THydrogen-bonded Turntrans-76.1-2.4173.800000114.5G216 L218G216-A220 VanDerWaalsContact O-CB 3.29Å; G216-A220 WeakPolarHBondContact O-CB 3.47Å; G216-A220 PolarHBondContact O-N 3.19Å; L218-A220 VanDerWaalsContact C-N 3.28Å; L218-A220 PolarHBondContact O-N 3.18Å
221G54.5Low58.9Low68 Ų68111 Ų11170%0.70167%0.665SS**THydrogen-bonded Turntrans-91.9-11.3-178.500000115.6L218 E219L218-G221 PolarHBondContact O-N 3.38Å; L218-G221 VanDerWaalsContact O-N 3.13Å; E219-G221 PolarHBondContact O-N 3.3Å
222E60.6Low57.6Low186 Ų186111.2 Ų111.287%0.86968%0.678SS**SBendtrans-130.195.2-173.4-163.8179.1142.700110.5
223G44.4Very low56.3Low77 Ų77116.7 Ų116.779%0.79470%0.699SS**SBendtrans142.189.9177.200000111.7
224G51.8Low54.8Low75 Ų75115 Ų11577%0.77370%0.7SS**  trans-64.4135.6179.600000112.7
225E36.2Very low53.3Low203 Ų203119.1 Ų119.195%0.94972%0.722SS**  171125.6119.8-86.6-174.3116.900108.5
226R56.7Low52.1Low210 Ų210124 Ų12479%0.79274%0.742SS**  trans-108.1151172.5-80.2179.471.5-168.94.8108.6
227P46.6Very low50.5Low132 Ų132128.4 Ų128.486%0.85777%0.765SS**  -142.6124.994.227.5-8.5000112.4
228G42.8Very low49Very low56 Ų56129.4 Ų129.458%0.57778%0.776SS**  84.4147.18500000112.7
229P46.8Very low48.3Very low139 Ų139127.6 Ų127.690%0.90378%0.782SS**  cis-132.116515.139.9-22000115.8
230G36.5Very low47.1Very low77 Ų77126.6 Ų126.679%0.79479%0.789SS**  trans137.844167.700000115.4
231G43.1Very low46.6Very low65 Ų65132 Ų13267%0.6780%0.796SS**  trans-93.4143.2-179.300000113.5
232P45Very low46.6Very low121 Ų121137.7 Ų137.779%0.78681%0.809SS**  trans-89.9111.7152.931.3-25000110.1
233R48.6Very low45.7Very low238 Ų238132 Ų13290%0.89880%0.8SS**  trans39.2104.4136.8-39-165-63.2-163.83.7118.1
234N45.4Very low46.1Very low126 Ų126134.1 Ų134.167%0.67480%0.803SS**  trans-48.1129.2159.7-168.4-49.6000113.3K236N234-K236 PolarHBondContact OD1-N 2.99Å
235L45.3Very low45.9Very low172 Ų172136 Ų13690%0.90180%0.802SS**  trans-128.5107.9143.8-69.9176.6000107.8
236K48.8Very low46.4Very low167 Ų167134.1 Ų134.173%0.72680%0.797SS**  trans-54.2138.6172.2-89.9155.6159.11760111.7N234 T238N234-K236 PolarHBondContact OD1-N 2.99Å; K236-T238 PolarHBondContact O-N 3.39Å
237P37.1Very low46.3Very low130 Ų130130.2 Ų130.284%0.84480%0.802SS**  trans-78.9109.3159.520.1-8000108.7A239P237-A239 PolarHBondContact O-N 3Å
238T42.3Very low46.4Very low122 Ų122126 Ų12675%0.74878%0.782SS**  trans-78.1115.8165.5570000108.3K236 S240K236-T238 PolarHBondContact O-N 3.39Å; T238-S240 PolarHBondContact O-N 3.09Å
239A52Low46.9Very low103 Ų103130.6 Ų130.685%0.85179%0.793SS**  trans-62.7125.1165.400000109.6P237P237-A239 PolarHBondContact O-N 3Å
240S42.7Very low47.4Very low104 Ų104133.2 Ų133.273%0.72779%0.793SS**  trans-152.3107.8162.1-71.50000106.1T238T238-S240 PolarHBondContact O-N 3.09Å
241K51.9Low48.9Very low202 Ų202133 Ų13388%0.87879%0.792SS**  55.4107.8104.4-102.7175.9171.4179.30113
242L53.3Low50.3Low186 Ų186134 Ų13497%0.97478%0.781SS**  trans9.2113.5152-61.9167.2000116.4
243G41.8Very low52.3Low67 Ų67130.2 Ų130.269%0.69176%0.756SS**  trans157.3106162.500000114.3
244S52.7Low54.3Low121 Ų121125.4 Ų125.485%0.84674%0.744SS**SBendtrans74.8147.1157.4-58.10000118.7
245P49.2Very low56.6Low115 Ų115119.4 Ų119.475%0.74771%0.712SS**  trans-75.7139.2-158.631-33000111.8S247P245-S247 PolarHBondContact O-N 2.89Å
246L46.7Very low58.6Low164 Ų164115 Ų11586%0.85969%0.692SS**  trans-61.195177.9-150.199000109.9G248L246-G248 PolarHBondContact O-N 3.16Å
247S53.5Low60.5Low128 Ų128111.7 Ų111.790%0.89568%0.675SS**  trans-69.880.1163.4-62.90000108P245P245-S247 PolarHBondContact O-N 2.89Å
248G48.3Very low62.9Low43 Ų43107.8 Ų107.844%0.44365%0.65SS.*  trans-154.5-0.2-169.200000117.1L246L246-G248 PolarHBondContact O-N 3.16Å
249L53.4Low65Low153 Ų153104.4 Ų104.480%0.80164%0.64SS**  trans-106.877.1167.1-70.9179.4000108.7G251L249-G251 PolarHBondContact O-N 3.12Å; L249-G251 VanDerWaalsContact O-N 3.12Å
250Q57.6Low66.6Low193 Ų193105.9 Ų105.990%0.90263%0.629SS**THydrogen-bonded Turntrans-67110.9-179.8-65.9179.538.500109.9
251G69.1Low68.9Low74 Ų74102.6 Ų102.676%0.76361%0.611SS**THydrogen-bonded Turntrans141.4-8.8158.500000117.1L249L249-G251 PolarHBondContact O-N 3.12Å; L249-G251 VanDerWaalsContact O-N 3.12Å
252L72.3Confident70.7Confident84 Ų8493.1 Ų93.144%0.4457%0.57SS.*PPolyproline II helixtrans-90.1129.8178.4-73.999.4000111.8E254 V263L252-E254 PolarHBondContact O-N 3.18Å; L252-V263 HydrophobicContact CD2-CB 4.41Å; L252-V263 HydrophobicContact CD2-CG2 3.67Å
253P86.5Confident72.4Confident42 Ų4290 Ų9027%0.27356%0.559SS.*PPolyproline II helixtrans-62.3130.7176.320.8-27.2000110.8I262 I266 L273P253-I262 WeakPolarHBondContact O-CB 3.38Å; P253-I262 WeakPolarHBondContact O-CG1 3.32Å; P253-I262 PolarHBondContact O-N 3.01Å; P253-I266 HydrophobicContact CB-CD1 4.48Å; P253-I266 HydrophobicContact CG-CD1 3.42Å; P253-I266 VanDerWaalsContact CG-CD1 3.42Å; P253-I266 HydrophobicContact CG-CG1 4.18Å; P253-L273 HydrophobicContact CB-CD1 3.3Å; P253-L273 HydrophobicContact CG-CD1 4.43Å
254E91.3Very high74.4Confident137 Ų13790 Ų9064%0.6456%0.558SS**BIsolated β-bridgetrans-87138.6-177-64.2178.612300111.9L252 T256L252-E254 PolarHBondContact O-N 3.18Å; E254-T256 PolarHBondContact O-N 3.32Å
255C91.9Very high76Confident1 Ų189.2 Ų89.21%0.00755%0.548CS..PPolyproline II helixtrans-75121.2174.4177.50000110.7R257 C258 G259 H260 I262 L273 H275 C278C255-R257 PolarHBondContact O-N 3.29Å; C255-R257 VanDerWaalsContact O-N 3.12Å; C255-C258 VanDerWaalsContact CB-SG 3.5Å; C255-C258 PolarHBondContact O-N 3.48Å; C255-G259 VanDerWaalsContact O-CA 3.3Å; C255-G259 WeakPolarHBondContact O-CA 3.29Å; C255-G259 PolarHBondContact O-N 2.78Å; C255-H260 WeakPolarHBondContact CB-O 3.3Å; C255-H260 PolarHBondContact N-O 3.45Å; C255-I262 HydrophobicContact CB-CD1 4.01Å; C255-I262 HydrophobicContact CB-CG1 3.75Å; C255-L273 CarbonylContact C-O 3.53Å; C255-L273 WeakPolarHBondContact CA-O 3.43Å; C255-H275 VanDerWaalsContact CB-CE1 3.44Å; C255-H275 WeakPolarHBondContact CB-CE1 3.49Å; C255-H275 VanDerWaalsContact CB-ND1 3.32Å; C255-H275 WeakPolarHBondContact CB-ND1 2.65Å; C255-H275 PolarHBondContact SG-N 3.42Å; C255-H275 PolarHBondContact SG-ND1 2.94Å; C255-H275 VanDerWaalsContact SG-ND1 3.45Å; C255-C278 VanDerWaalsContact SG-CB 3.56Å
256T89Confident78Confident78 Ų7887.4 Ų87.448%0.47953%0.532SS..THydrogen-bonded Turntrans-66.2-17.9-179.1-45.60000113.8E254 K272 L273E254-T256 PolarHBondContact O-N 3.32Å; T256-K272 HydrophobicContact CG2-CD 3.92Å; T256-K272 HydrophobicContact CG2-CG 4.33Å; T256-L273 PolarHBondContact N-O 2.92Å; T256-L273 PolarHBondContact OG1-O 3.13Å
257R86.8Confident80.1Confident98 Ų9881.1 Ų81.137%0.3750%0.5SS..THydrogen-bonded Turntrans-85-46177.1-172.1-177.1-163.1119.15.5113.3C255 Y274 C278 M280C255-R257 PolarHBondContact O-N 3.29Å; C255-R257 VanDerWaalsContact O-N 3.12Å; R257-Y274 HydrophobicContact CB-CD1 4.11Å; R257-Y274 HydrophobicContact CB-CE1 4.32Å; R257-C278 HydrophobicContact CB-CB 3.92Å; R257-C278 WeakPolarHBondContact CD-O 3.35Å; R257-C278 HydrophobicContact CG-CB 4.39Å; R257-C278 PolarHBondContact NH1-O 3.13Å; R257-M280 VanDerWaalsContact CZ-CE 3.4Å; R257-M280 PolarHBondContact NH1-O 3.27Å
258C89.1Confident81.8Confident48 Ų4881.9 Ų81.932%0.32449%0.487SS..THydrogen-bonded Turntrans-109.1-7.3-172.667.30000113.6C255 H260 H275C255-C258 VanDerWaalsContact CB-SG 3.5Å; C255-C258 PolarHBondContact O-N 3.48Å; C258-H260 PolarHBondContact O-CE1 2.78Å; C258-H260 PolarHBondContact O-N 3.36Å; C258-H260 VanDerWaalsContact O-N 3.13Å; C258-H260 PolarHBondContact O-ND1 2.81Å; C258-H275 PolarHBondContact SG-CE1 3.35Å; C258-H275 PolarHBondContact SG-ND1 2.9Å
259G86.3Confident83.7Confident51 Ų5179.9 Ų79.953%0.52647%0.466SS..  trans68.73.918000000115C255C255-G259 VanDerWaalsContact O-CA 3.3Å; C255-G259 WeakPolarHBondContact O-CA 3.29Å; C255-G259 PolarHBondContact O-N 2.78Å
260H85.7Confident85.1Confident135 Ų13579.8 Ų79.863%0.62546%0.455SS*.SBendtrans-92.9147.4178.4-63.580.7000110.6C255 C258 I262C255-H260 WeakPolarHBondContact CB-O 3.3Å; C255-H260 PolarHBondContact N-O 3.45Å; C258-H260 PolarHBondContact O-CE1 2.78Å; C258-H260 PolarHBondContact O-N 3.36Å; C258-H260 VanDerWaalsContact O-N 3.13Å; C258-H260 PolarHBondContact O-ND1 2.81Å; H260-I262 PolarHBondContact O-N 2.93Å
261G90.3Very high86.3Confident34 Ų3477.7 Ų77.735%0.35145%0.45SS..BIsolated β-bridgetrans-60.8131.9174.400000111.8V263G261-V263 PolarHBondContact O-N 3.43Å
262I90Very high87.3Confident3 Ų376.3 Ų76.32%0.01542%0.423CS..  trans-84.1112.9-178.4-55.2163.7000109.3P253 C255 H260 I266 L273 H275P253-I262 WeakPolarHBondContact O-CB 3.38Å; P253-I262 WeakPolarHBondContact O-CG1 3.32Å; P253-I262 PolarHBondContact O-N 3.01Å; C255-I262 HydrophobicContact CB-CD1 4.01Å; C255-I262 HydrophobicContact CB-CG1 3.75Å; H260-I262 PolarHBondContact O-N 2.93Å; I262-I266 HydrophobicContact CB-CG1 4.05Å; I262-I266 HydrophobicContact CD1-CG1 4.39Å; I262-I266 HydrophobicContact CD1-CG2 4.1Å; I262-I266 HydrophobicContact CG2-CB 4.34Å; I262-I266 HydrophobicContact CG2-CG1 3.43Å; I262-I266 VanDerWaalsContact CG2-CG1 3.43Å; I262-L273 HydrophobicContact CD1-CB 3.86Å; I262-H275 WeakPolarHBondContact CA-NE2 3.47Å
263V87.8Confident88.2Confident122 Ų12274.6 Ų74.674%0.73941%0.414SS*.  trans-97.1120.7173.6-173.30000109L252 G261L252-V263 HydrophobicContact CD2-CB 4.41Å; L252-V263 HydrophobicContact CD2-CG2 3.67Å; G261-V263 PolarHBondContact O-N 3.43Å
264G85.6Confident88.4Confident65 Ų6573.2 Ų73.267%0.6740%0.404SS*.SBendtrans93.1-118.2175.100000114
265T86.2Confident88.5Confident106 Ų10668.4 Ų68.465%0.6538%0.381SS*.  trans-79.4130.2-173.356.20000111.7P276T265-P276 WeakPolarHBondContact O-CD 3.31Å; T265-P276 WeakPolarHBondContact OG1-CG 3.44Å
266I90.5Very high88.4Confident77 Ų7769.7 Ų69.740%0.39539%0.39SS..  trans-117.3134.3-176.7-61152.3000109.2P253 I262 L273P253-I266 HydrophobicContact CB-CD1 4.48Å; P253-I266 HydrophobicContact CG-CD1 3.42Å; P253-I266 VanDerWaalsContact CG-CD1 3.42Å; P253-I266 HydrophobicContact CG-CG1 4.18Å; I262-I266 HydrophobicContact CB-CG1 4.05Å; I262-I266 HydrophobicContact CD1-CG1 4.39Å; I262-I266 HydrophobicContact CD1-CG2 4.1Å; I262-I266 HydrophobicContact CG2-CB 4.34Å; I262-I266 HydrophobicContact CG2-CG1 3.43Å; I262-I266 VanDerWaalsContact CG2-CG1 3.43Å; I266-L273 HydrophobicContact CG2-CB 4.13Å; I266-L273 HydrophobicContact CG2-CD2 3.92Å; I266-L273 HydrophobicContact CG2-CG 4.45Å
267V90.7Very high88.4Confident32 Ų3273.5 Ų73.519%0.19440%0.402CS..EExtended strand (participates in β ladder)trans-100.3114.3169.5-177.40000108.3Y274 P276 F279V267-Y274 PolarHBondContact N-O 3Å; V267-Y274 PolarHBondContact O-N 3.27Å; V267-P276 HydrophobicContact CG2-CB 4.39Å; V267-P276 HydrophobicContact CG2-CG 4.49Å; V267-F279 HydrophobicContact CB-CB 4.44Å; V267-F279 HydrophobicContact CB-CD2 4.36Å; V267-F279 HydrophobicContact CB-CG 4.34Å; V267-F279 HydrophobicContact CG1-CB 4.28Å; V267-F279 HydrophobicContact CG1-CD1 3.98Å; V267-F279 HydrophobicContact CG1-CD2 3.65Å; V267-F279 HydrophobicContact CG1-CE1 4.19Å; V267-F279 HydrophobicContact CG1-CE2 3.91Å; V267-F279 HydrophobicContact CG1-CG 3.69Å; V267-F279 HydrophobicContact CG1-CZ 4.17Å
268K90.1Very high88.6Confident144 Ų14469.8 Ų69.863%0.62639%0.391SS*.EExtended strand (participates in β ladder)trans-94.2123.2175.5-177.5172.91791760109.8R270 L273K268-R270 WeakPolarHBondContact CE-O 3.44Å; K268-L273 HydrophobicContact CB-CD2 3.9Å; K268-L273 HydrophobicContact CD-CD2 4.3Å; K268-L273 HydrophobicContact CG-CD2 3.87Å
269A87Confident88.7Confident0 Ų067.7 Ų67.70%038%0.376CS..EExtended strand (participates in β ladder)trans-125.6110.6172.500000109.2D271 K272 Y274 F279 Y293 L300A269-D271 PolarHBondContact O-N 3.38Å; A269-D271 VanDerWaalsContact O-N 3.08Å; A269-K272 PolarHBondContact N-O 2.84Å; A269-K272 PolarHBondContact O-N 2.76Å; A269-Y274 HydrophobicContact CB-CD2 4.35Å; A269-Y274 HydrophobicContact CB-CE2 4.16Å; A269-F279 HydrophobicContact CB-CE2 3.61Å; A269-F279 HydrophobicContact CB-CZ 4.13Å; A269-Y293 HydrophobicContact CB-CD2 4.44Å; A269-Y293 HydrophobicContact CB-CE2 3.72Å; A269-L300 HydrophobicContact CB-CD2 4.23Å
270R83Confident89Confident152 Ų15268 Ų6857%0.57436%0.364SS*.THydrogen-bonded Turntrans50.6-110.8-166.4-64.7-175.5169.9176.1-1.3110.5K268K268-R270 WeakPolarHBondContact CE-O 3.44Å
271D83.6Confident89.4Confident149 Ų14961.5 Ų61.580%0.79734%0.335SS*.THydrogen-bonded Turntrans-1085.3-175.8-54.8-65000113.1A269A269-D271 PolarHBondContact O-N 3.38Å; A269-D271 VanDerWaalsContact O-N 3.08Å
272K88.7Confident89.3Confident44 Ų4462.3 Ų62.319%0.19134%0.335CS..EExtended strand (participates in β ladder)trans-110.7144.4-179.9-64.9179.1-166.3-78.10110.9T256 A269 Y274 F295 E298T256-K272 HydrophobicContact CG2-CD 3.92Å; T256-K272 HydrophobicContact CG2-CG 4.33Å; A269-K272 PolarHBondContact N-O 2.84Å; A269-K272 PolarHBondContact O-N 2.76Å; K272-Y274 HydrophobicContact CB-CD2 4.44Å; K272-Y274 HydrophobicContact CB-CE2 3.45Å; K272-Y274 VanDerWaalsContact CB-CE2 3.45Å; K272-Y274 WeakPolarHBondContact CB-OH 3.36Å; K272-Y274 VanDerWaalsContact CD-OH 3.29Å; K272-Y274 WeakPolarHBondContact CD-OH 3.36Å; K272-F295 HydrophobicContact CD-CE2 4.02Å; K272-F295 HydrophobicContact CD-CZ 3.8Å; K272-E298 WeakPolarHBondContact CE-OE1 3.3Å; K272-E298 IonicContact NZ-OE1 3.59Å; K272-E298 PolarHBondContact NZ-OE1 3.09Å
273L91.3Very high89.2Confident49 Ų4965.9 Ų65.926%0.25735%0.354SS..EExtended strand (participates in β ladder)trans-111137.8-177-56.7178.6000109.4P253 C255 T256 I262 I266 K268P253-L273 HydrophobicContact CB-CD1 3.3Å; P253-L273 HydrophobicContact CG-CD1 4.43Å; C255-L273 CarbonylContact C-O 3.53Å; C255-L273 WeakPolarHBondContact CA-O 3.43Å; T256-L273 PolarHBondContact N-O 2.92Å; T256-L273 PolarHBondContact OG1-O 3.13Å; I262-L273 HydrophobicContact CD1-CB 3.86Å; I266-L273 HydrophobicContact CG2-CB 4.13Å; I266-L273 HydrophobicContact CG2-CD2 3.92Å; I266-L273 HydrophobicContact CG2-CG 4.45Å; K268-L273 HydrophobicContact CB-CD2 3.9Å; K268-L273 HydrophobicContact CD-CD2 4.3Å; K268-L273 HydrophobicContact CG-CD2 3.87Å
274Y92.1Very high89.4Confident12 Ų1262.6 Ų62.65%0.04734%0.336CS..EExtended strand (participates in β ladder)trans-136.7147.8-176.2-59.9-87.8000110.9R257 V267 A269 K272 F279 L300R257-Y274 HydrophobicContact CB-CD1 4.11Å; R257-Y274 HydrophobicContact CB-CE1 4.32Å; V267-Y274 PolarHBondContact N-O 3Å; V267-Y274 PolarHBondContact O-N 3.27Å; A269-Y274 HydrophobicContact CB-CD2 4.35Å; A269-Y274 HydrophobicContact CB-CE2 4.16Å; K272-Y274 HydrophobicContact CB-CD2 4.44Å; K272-Y274 HydrophobicContact CB-CE2 3.45Å; K272-Y274 VanDerWaalsContact CB-CE2 3.45Å; K272-Y274 WeakPolarHBondContact CB-OH 3.36Å; K272-Y274 VanDerWaalsContact CD-OH 3.29Å; K272-Y274 WeakPolarHBondContact CD-OH 3.36Å; Y274-F279 HydrophobicContact CD2-CD2 4.04Å; Y274-F279 HydrophobicContact CD2-CE2 4.32Å; Y274-F279 HydrophobicContact CG-CD2 4.12Å; Y274-L300 HydrophobicContact CD1-CD1 4.13Å; Y274-L300 HydrophobicContact CD2-CD1 4.06Å; Y274-L300 HydrophobicContact CE1-CD1 3.72Å; Y274-L300 HydrophobicContact CE2-CD1 3.64Å; Y274-L300 HydrophobicContact CG-CD1 4.28Å; Y274-L300 VanDerWaalsContact CZ-CD1 3.45Å
275H91.9Very high89.5Confident37 Ų3761.1 Ų61.117%0.17132%0.32CS..  trans-60.3151.9161.4-65.5111.1000110C255 C258 I262 E277 C278 F279C255-H275 VanDerWaalsContact CB-CE1 3.44Å; C255-H275 WeakPolarHBondContact CB-CE1 3.49Å; C255-H275 VanDerWaalsContact CB-ND1 3.32Å; C255-H275 WeakPolarHBondContact CB-ND1 2.65Å; C255-H275 PolarHBondContact SG-N 3.42Å; C255-H275 PolarHBondContact SG-ND1 2.94Å; C255-H275 VanDerWaalsContact SG-ND1 3.45Å; C258-H275 PolarHBondContact SG-CE1 3.35Å; C258-H275 PolarHBondContact SG-ND1 2.9Å; I262-H275 WeakPolarHBondContact CA-NE2 3.47Å; H275-E277 PolarHBondContact O-N 3.04Å; H275-C278 HydrophobicContact CB-CB 3.79Å; H275-C278 PolarHBondContact O-N 3.5Å; H275-F279 PolarHBondContact O-N 2.87Å
276P90.8Very high89.5Confident28 Ų2860.9 Ų60.918%0.18231%0.314CS..THydrogen-bonded Turntrans-54-41169.3-19.429.4000110.7T265 V267 K289T265-P276 WeakPolarHBondContact O-CD 3.31Å; T265-P276 WeakPolarHBondContact OG1-CG 3.44Å; V267-P276 HydrophobicContact CG2-CB 4.39Å; V267-P276 HydrophobicContact CG2-CG 4.49Å; P276-K289 HydrophobicContact CB-CD 4.48Å; P276-K289 WeakPolarHBondContact O-CE 3.46Å; P276-K289 PolarHBondContact O-NZ 2.84Å
277E89.4Confident89.5Confident157 Ų15760.6 Ų60.673%0.73431%0.314SS*.THydrogen-bonded Turntrans-74-30.3179-61.7-174.3151.400113H275 F279 M280H275-E277 PolarHBondContact O-N 3.04Å; E277-F279 VanDerWaalsContact C-N 3.28Å; E277-F279 PolarHBondContact O-N 3.48Å; E277-M280 VanDerWaalsContact O-CG 3.24Å; E277-M280 WeakPolarHBondContact O-CG 3.4Å
278C90.1Very high89.4Confident20 Ų2059.3 Ų59.314%0.13531%0.306CS..THydrogen-bonded Turntrans-78.9-10.3178.8-70.40000113.6C255 R257 H275 M280C255-C278 VanDerWaalsContact SG-CB 3.56Å; R257-C278 HydrophobicContact CB-CB 3.92Å; R257-C278 WeakPolarHBondContact CD-O 3.35Å; R257-C278 HydrophobicContact CG-CB 4.39Å; R257-C278 PolarHBondContact NH1-O 3.13Å; H275-C278 HydrophobicContact CB-CB 3.79Å; H275-C278 PolarHBondContact O-N 3.5Å; C278-M280 WeakPolarHBondContact O-CG 3.16Å; C278-M280 PolarHBondContact O-N 3.18Å
279F92.2Very high89.1Confident4 Ų456.7 Ų56.72%0.01830%0.295CS..  trans-78.166.5-179.3-162.1-109.9000112V267 A269 Y274 H275 E277 N287 L288 K289 Y293 L300V267-F279 HydrophobicContact CB-CB 4.44Å; V267-F279 HydrophobicContact CB-CD2 4.36Å; V267-F279 HydrophobicContact CB-CG 4.34Å; V267-F279 HydrophobicContact CG1-CB 4.28Å; V267-F279 HydrophobicContact CG1-CD1 3.98Å; V267-F279 HydrophobicContact CG1-CD2 3.65Å; V267-F279 HydrophobicContact CG1-CE1 4.19Å; V267-F279 HydrophobicContact CG1-CE2 3.91Å; V267-F279 HydrophobicContact CG1-CG 3.69Å; V267-F279 HydrophobicContact CG1-CZ 4.17Å; A269-F279 HydrophobicContact CB-CE2 3.61Å; A269-F279 HydrophobicContact CB-CZ 4.13Å; Y274-F279 HydrophobicContact CD2-CD2 4.04Å; Y274-F279 HydrophobicContact CD2-CE2 4.32Å; Y274-F279 HydrophobicContact CG-CD2 4.12Å; H275-F279 PolarHBondContact O-N 2.87Å; E277-F279 VanDerWaalsContact C-N 3.28Å; E277-F279 PolarHBondContact O-N 3.48Å; F279-N287 PolarHBondContact O-OD1 3.15Å; F279-N287 VanDerWaalsContact O-OD1 3.13Å; F279-L288 HydrophobicContact CD1-CB 3.72Å; F279-L288 HydrophobicContact CE1-CB 3.51Å; F279-L288 WeakPolarHBondContact CE1-O 3.24Å; F279-L288 HydrophobicContact CZ-CB 4.32Å; F279-L288 PolarHBondContact O-N 3.33Å; F279-K289 HydrophobicContact CD1-CG 4.06Å; F279-Y293 AromaticContact CE1-CD1 3.93Å; F279-Y293 HydrophobicContact CE1-CD1 3.93Å; F279-Y293 HydrophobicContact CE1-CG 4.24Å; F279-Y293 AromaticContact CZ-CD1 3.51Å; F279-Y293 HydrophobicContact CZ-CD1 3.51Å; F279-Y293 HydrophobicContact CZ-CD2 4.13Å; F279-Y293 AromaticContact CZ-CE1 3.94Å; F279-Y293 HydrophobicContact CZ-CE1 3.94Å; F279-Y293 AromaticContact CZ-CG 3.61Å; F279-Y293 HydrophobicContact CZ-CG 3.61Å; F279-L300 HydrophobicContact CD2-CD1 3.8Å; F279-L300 HydrophobicContact CD2-CD2 4.44Å; F279-L300 HydrophobicContact CE2-CD1 3.66Å; F279-L300 HydrophobicContact CE2-CD2 3.53Å; F279-L300 HydrophobicContact CE2-CG 4.26Å; F279-L300 HydrophobicContact CZ-CD2 3.85Å
280M92.8Very high88.8Confident57 Ų5765.3 Ų65.328%0.28134%0.335SS..BIsolated β-bridgetrans-124.8153.5-174.43.9-178.1-67.900112.2R257 E277 C278 G285 L286R257-M280 VanDerWaalsContact CZ-CE 3.4Å; R257-M280 PolarHBondContact NH1-O 3.27Å; E277-M280 VanDerWaalsContact O-CG 3.24Å; E277-M280 WeakPolarHBondContact O-CG 3.4Å; C278-M280 WeakPolarHBondContact O-CG 3.16Å; C278-M280 PolarHBondContact O-N 3.18Å; M280-G285 VanDerWaalsContact CB-O 3.3Å; M280-G285 WeakPolarHBondContact CB-O 3.49Å; M280-L286 CarbonylContact C-O 3.46Å; M280-L286 WeakPolarHBondContact CA-O 3.19Å
281C92.6Very high88.4Confident0 Ų067.5 Ų67.50%034%0.343CS..  trans-59.3140.1171.3-1790000111.2D283 C284 G285 L286 L288 L300 C302 H305C281-D283 VanDerWaalsContact C-N 3.31Å; C281-D283 PolarHBondContact O-N 2.86Å; C281-D283 PolarHBondContact SG-N 3.47Å; C281-D283 VanDerWaalsContact SG-N 3.43Å; C281-C284 WeakPolarHBondContact CB-SG 3.47Å; C281-G285 VanDerWaalsContact O-CA 3.23Å; C281-G285 WeakPolarHBondContact O-CA 3.43Å; C281-G285 PolarHBondContact O-N 3.15Å; C281-L286 PolarHBondContact N-O 3.48Å; C281-L288 HydrophobicContact CB-CD1 4.38Å; C281-L288 HydrophobicContact CB-CD2 4.24Å; C281-L288 HydrophobicContact CB-CG 4.48Å; C281-L300 CarbonylContact C-O 3.47Å; C281-L300 WeakPolarHBondContact CA-O 3.32Å; C281-C302 HydrophobicContact CB-CB 4.3Å; C281-C302 PolarHBondContact SG-N 3.35Å; C281-H305 PolarHBondContact SG-ND1 3.43Å
282S89.7Confident88.4Confident51 Ų5163 Ų6336%0.35733%0.332SS..THydrogen-bonded Turntrans-67.7-26.2176.4-67.50000114.1L300S282-L300 PolarHBondContact N-O 3.28Å
283D88Confident88.4Confident77 Ų7765.3 Ų65.341%0.41234%0.34SS..THydrogen-bonded Turntrans-95.5-45.2-176.6-54.9-36.6000113.4C281 Y301 H305 R309C281-D283 VanDerWaalsContact C-N 3.31Å; C281-D283 PolarHBondContact O-N 2.86Å; C281-D283 PolarHBondContact SG-N 3.47Å; C281-D283 VanDerWaalsContact SG-N 3.43Å; D283-Y301 VanDerWaalsContact OD2-CD1 3.31Å; D283-Y301 WeakPolarHBondContact OD2-CD1 3.25Å; D283-Y301 WeakPolarHBondContact OD2-CE1 3.5Å; D283-H305 WeakPolarHBondContact OD2-CB 2.89Å; D283-H305 IonicContact OD2-CG 3.03Å; D283-H305 IonicContact OD2-ND1 2.82Å; D283-R309 IonicContact OD1-CZ 2.78Å; D283-R309 IonicContact OD1-NH2 3.17Å; D283-R309 PolarHBondContact OD1-NH2 3.5Å; D283-R309 IonicContact OD2-CZ 2.81Å; D283-R309 IonicContact OD2-NH1 3.85Å; D283-R309 PolarHBondContact OD2-NH1 3.47Å; D283-R309 IonicContact OD2-NH2 3.46Å; D283-R309 PolarHBondContact OD2-NH2 3.22Å
284C90.4Very high88.3Confident54 Ų5467.1 Ų67.137%0.36535%0.346SS..THydrogen-bonded Turntrans-106.8-5.9-177.551.20000114.4C281 L286 C302 H305C281-C284 WeakPolarHBondContact CB-SG 3.47Å; C284-L286 HydrophobicContact CB-CD1 4.33Å; C284-L286 HydrophobicContact CB-CG 4.1Å; C284-L286 PolarHBondContact O-N 3.07Å; C284-L286 VanDerWaalsContact SG-CD1 3.57Å; C284-L286 VanDerWaalsContact SG-CG 3.56Å; C284-C302 VanDerWaalsContact SG-SG 3.63Å; C284-H305 PolarHBondContact SG-CE1 3.12Å
285G88.1Confident88.1Confident33 Ų3368.2 Ų68.234%0.3435%0.351SS..  trans66.27.9-176.700000114.9M280 C281 N287M280-G285 VanDerWaalsContact CB-O 3.3Å; M280-G285 WeakPolarHBondContact CB-O 3.49Å; C281-G285 VanDerWaalsContact O-CA 3.23Å; C281-G285 WeakPolarHBondContact O-CA 3.43Å; C281-G285 PolarHBondContact O-N 3.15Å; G285-N287 PolarHBondContact O-N 3.4Å
286L87.4Confident87.9Confident101 Ų10168.3 Ų68.353%0.52935%0.353SS..  trans-63.6135.3178.6-72.3174.7000111.1M280 C281 C284 L288M280-L286 CarbonylContact C-O 3.46Å; M280-L286 WeakPolarHBondContact CA-O 3.19Å; C281-L286 PolarHBondContact N-O 3.48Å; C284-L286 HydrophobicContact CB-CD1 4.33Å; C284-L286 HydrophobicContact CB-CG 4.1Å; C284-L286 PolarHBondContact O-N 3.07Å; C284-L286 VanDerWaalsContact SG-CD1 3.57Å; C284-L286 VanDerWaalsContact SG-CG 3.56Å; L286-L288 PolarHBondContact O-N 3.31Å
287N89.9Confident87.5Confident72 Ų7273.6 Ų73.639%0.38538%0.379SS..BIsolated β-bridgetrans-72120178.6-158.8-36.8000110.8F279 G285 K289F279-N287 PolarHBondContact O-OD1 3.15Å; F279-N287 VanDerWaalsContact O-OD1 3.13Å; G285-N287 PolarHBondContact O-N 3.4Å; N287-K289 VanDerWaalsContact OD1-CG 3.3Å; N287-K289 WeakPolarHBondContact OD1-CG 3.3Å; N287-K289 PolarHBondContact OD1-N 2.94Å
288L88.3Confident87.2Confident4 Ų472.3 Ų72.32%0.02137%0.373CS..THydrogen-bonded Turntrans-924.9-170.5-58.9176.4000113.3F279 C281 L286 Q290 R291 L300 C302F279-L288 HydrophobicContact CD1-CB 3.72Å; F279-L288 HydrophobicContact CE1-CB 3.51Å; F279-L288 WeakPolarHBondContact CE1-O 3.24Å; F279-L288 HydrophobicContact CZ-CB 4.32Å; F279-L288 PolarHBondContact O-N 3.33Å; C281-L288 HydrophobicContact CB-CD1 4.38Å; C281-L288 HydrophobicContact CB-CD2 4.24Å; C281-L288 HydrophobicContact CB-CG 4.48Å; L286-L288 PolarHBondContact O-N 3.31Å; L288-Q290 VanDerWaalsContact C-N 3.3Å; L288-Q290 PolarHBondContact O-N 3.41Å; L288-R291 CarbonylContact C-O 3.57Å; L288-R291 WeakPolarHBondContact CA-O 3.48Å; L288-L300 HydrophobicContact CD1-CB 3.91Å; L288-L300 HydrophobicContact CD1-CD2 4.46Å; L288-C302 HydrophobicContact CD2-CB 3.65Å
289K83.5Confident87Confident90 Ų9078.4 Ų78.439%0.39139%0.393SS..THydrogen-bonded Turntrans-62.4-36.9179.8-70.6175.1-155.4167.50113.7P276 F279 N287P276-K289 HydrophobicContact CB-CD 4.48Å; P276-K289 WeakPolarHBondContact O-CE 3.46Å; P276-K289 PolarHBondContact O-NZ 2.84Å; F279-K289 HydrophobicContact CD1-CG 4.06Å; N287-K289 VanDerWaalsContact OD1-CG 3.3Å; N287-K289 WeakPolarHBondContact OD1-CG 3.3Å; N287-K289 PolarHBondContact OD1-N 2.94Å
290Q82Confident86.9Confident180 Ų18078.4 Ų78.484%0.84139%0.394SS*.SBendtrans-104.3-13.9-172.2-62.5-63.8-49.800112.3L288L288-Q290 VanDerWaalsContact C-N 3.3Å; L288-Q290 PolarHBondContact O-N 3.41Å
291R74.2Confident86.8Confident199 Ų19976.1 Ų76.175%0.75138%0.382SS*.SBendtrans-127114.9-178.2-67.9-167.8140.6100.93.3106L288L288-R291 CarbonylContact C-O 3.57Å; L288-R291 WeakPolarHBondContact CA-O 3.48Å
292G82.4Confident86.8Confident55 Ų5576.7 Ų76.757%0.56739%0.386SS*.  trans-41.5146.2-172.100000113.8
293Y88.5Confident86.8Confident92 Ų9279.2 Ų79.236%0.36139%0.392SS..EExtended strand (participates in β ladder)trans-108152.4-176.167.1-86.9000111.2A269 F279 L300A269-Y293 HydrophobicContact CB-CD2 4.44Å; A269-Y293 HydrophobicContact CB-CE2 3.72Å; F279-Y293 AromaticContact CE1-CD1 3.93Å; F279-Y293 HydrophobicContact CE1-CD1 3.93Å; F279-Y293 HydrophobicContact CE1-CG 4.24Å; F279-Y293 AromaticContact CZ-CD1 3.51Å; F279-Y293 HydrophobicContact CZ-CD1 3.51Å; F279-Y293 HydrophobicContact CZ-CD2 4.13Å; F279-Y293 AromaticContact CZ-CE1 3.94Å; F279-Y293 HydrophobicContact CZ-CE1 3.94Å; F279-Y293 AromaticContact CZ-CG 3.61Å; F279-Y293 HydrophobicContact CZ-CG 3.61Å; Y293-L300 HydrophobicContact CD2-CD2 3.59Å; Y293-L300 HydrophobicContact CE2-CD2 4.29Å; Y293-L300 HydrophobicContact CG-CD2 4.1Å
294F89.8Confident86.8Confident87 Ų8779.1 Ų79.138%0.38240%0.397SS..EExtended strand (participates in β ladder)trans-121142.3171-67.4-98.2000109.1Y301 E303 A306F294-Y301 PolarHBondContact N-O 3.04Å; F294-Y301 PolarHBondContact O-N 3.15Å; F294-E303 HydrophobicContact CD2-CB 4.38Å; F294-E303 VanDerWaalsContact CE2-CA 3.48Å; F294-E303 HydrophobicContact CE2-CB 3.75Å; F294-E303 HydrophobicContact CE2-CG 3.82Å; F294-E303 HydrophobicContact CZ-CG 4.28Å; F294-A306 HydrophobicContact CB-CB 3.24Å; F294-A306 HydrophobicContact CD1-CB 3.96Å; F294-A306 HydrophobicContact CD2-CB 3.63Å; F294-A306 HydrophobicContact CE2-CB 4.49Å; F294-A306 HydrophobicContact CG-CB 3.32Å
295F89.1Confident86.7Confident35 Ų3579.2 Ų79.215%0.15439%0.392CS..EExtended strand (participates in β ladder)trans-115.6106-176.6-165.9-91.4000109.2K272 E298 R299 L300K272-F295 HydrophobicContact CD-CE2 4.02Å; K272-F295 HydrophobicContact CD-CZ 3.8Å; F295-E298 HydrophobicContact CE1-CB 4.5Å; F295-E298 VanDerWaalsContact CZ-CA 3.46Å; F295-E298 HydrophobicContact CZ-CB 4.28Å; F295-R299 WeakPolarHBondContact CA-O 3.29Å; F295-L300 HydrophobicContact CD2-CD2 4.24Å; F295-L300 HydrophobicContact CD2-CG 4.34Å
296L86.8Confident86.8Confident39 Ų3977.7 Ų77.720%0.20438%0.376CS..EExtended strand (participates in β ladder)trans-128.1135.1-178.2-63162.8000107.6E298 R299 Y301 A306 R309 V310L296-E298 VanDerWaalsContact C-N 3.25Å; L296-E298 PolarHBondContact O-N 3.01Å; L296-E298 VanDerWaalsContact O-N 3.16Å; L296-R299 PolarHBondContact N-O 3.4Å; L296-R299 VanDerWaalsContact N-O 3.11Å; L296-R299 PolarHBondContact O-N 3.14Å; L296-R299 VanDerWaalsContact O-O 3.13Å; L296-Y301 HydrophobicContact CB-CD2 3.89Å; L296-Y301 HydrophobicContact CB-CE2 3.99Å; L296-Y301 HydrophobicContact CD1-CD2 4.28Å; L296-Y301 HydrophobicContact CG-CD2 4.49Å; L296-Y301 WeakPolarHBondContact O-CE2 3.36Å; L296-A306 HydrophobicContact CD1-CB 3.93Å; L296-R309 HydrophobicContact CD1-CB 4.06Å; L296-V310 HydrophobicContact CD1-CG1 3.9Å; L296-V310 HydrophobicContact CD2-CG1 3.45Å; L296-V310 VanDerWaalsContact CD2-CG1 3.45Å; L296-V310 HydrophobicContact CG-CG1 4.33Å
297D83.4Confident86.8Confident139 Ų13977.9 Ų77.974%0.74337%0.373SS*.THydrogen-bonded Turntrans48.844177.9-51-41.8000114.2R299D297-R299 PolarHBondContact O-N 2.94Å; D297-R299 VanDerWaalsContact O-N 3.09Å
298E83.2Confident86.5Confident129 Ų12977.9 Ų77.960%0.60338%0.383SS*.THydrogen-bonded Turntrans61.313.6-177.2-58.7-15594.100116.4K272 F295 L296K272-E298 WeakPolarHBondContact CE-OE1 3.3Å; K272-E298 IonicContact NZ-OE1 3.59Å; K272-E298 PolarHBondContact NZ-OE1 3.09Å; F295-E298 HydrophobicContact CE1-CB 4.5Å; F295-E298 VanDerWaalsContact CZ-CA 3.46Å; F295-E298 HydrophobicContact CZ-CB 4.28Å; L296-E298 VanDerWaalsContact C-N 3.25Å; L296-E298 PolarHBondContact O-N 3.01Å; L296-E298 VanDerWaalsContact O-N 3.16Å
299R85.9Confident86.2Confident148 Ų14882.7 Ų82.756%0.55840%0.401SS*.EExtended strand (participates in β ladder)trans-120.6153.7-178.7-72.7177.8155.7-176.7-6.7112.1F295 L296 D297 Y301F295-R299 WeakPolarHBondContact CA-O 3.29Å; L296-R299 PolarHBondContact N-O 3.4Å; L296-R299 VanDerWaalsContact N-O 3.11Å; L296-R299 PolarHBondContact O-N 3.14Å; L296-R299 VanDerWaalsContact O-O 3.13Å; D297-R299 PolarHBondContact O-N 2.94Å; D297-R299 VanDerWaalsContact O-N 3.09Å; R299-Y301 HydrophobicContact CB-CD2 4.4Å; R299-Y301 HydrophobicContact CB-CE2 3.55Å; R299-Y301 WeakPolarHBondContact CD-OH 3.45Å
300L89.9Confident86Confident5 Ų582.5 Ų82.53%0.02641%0.407CS..EExtended strand (participates in β ladder)trans-94.8125.9-177.8-76.5155.3000110.3A269 Y274 F279 C281 S282 L288 Y293 F295A269-L300 HydrophobicContact CB-CD2 4.23Å; Y274-L300 HydrophobicContact CD1-CD1 4.13Å; Y274-L300 HydrophobicContact CD2-CD1 4.06Å; Y274-L300 HydrophobicContact CE1-CD1 3.72Å; Y274-L300 HydrophobicContact CE2-CD1 3.64Å; Y274-L300 HydrophobicContact CG-CD1 4.28Å; Y274-L300 VanDerWaalsContact CZ-CD1 3.45Å; F279-L300 HydrophobicContact CD2-CD1 3.8Å; F279-L300 HydrophobicContact CD2-CD2 4.44Å; F279-L300 HydrophobicContact CE2-CD1 3.66Å; F279-L300 HydrophobicContact CE2-CD2 3.53Å; F279-L300 HydrophobicContact CE2-CG 4.26Å; F279-L300 HydrophobicContact CZ-CD2 3.85Å; C281-L300 CarbonylContact C-O 3.47Å; C281-L300 WeakPolarHBondContact CA-O 3.32Å; S282-L300 PolarHBondContact N-O 3.28Å; L288-L300 HydrophobicContact CD1-CB 3.91Å; L288-L300 HydrophobicContact CD1-CD2 4.46Å; Y293-L300 HydrophobicContact CD2-CD2 3.59Å; Y293-L300 HydrophobicContact CE2-CD2 4.29Å; Y293-L300 HydrophobicContact CG-CD2 4.1Å; F295-L300 HydrophobicContact CD2-CD2 4.24Å; F295-L300 HydrophobicContact CD2-CG 4.34Å
301Y90.6Very high85.3Confident9 Ų981.8 Ų81.84%0.03540%0.401CS..EExtended strand (participates in β ladder)trans-126.3147.6179.9-62.3-73.7000111.6D283 F294 L296 R299 H305 R309D283-Y301 VanDerWaalsContact OD2-CD1 3.31Å; D283-Y301 WeakPolarHBondContact OD2-CD1 3.25Å; D283-Y301 WeakPolarHBondContact OD2-CE1 3.5Å; F294-Y301 PolarHBondContact N-O 3.04Å; F294-Y301 PolarHBondContact O-N 3.15Å; L296-Y301 HydrophobicContact CB-CD2 3.89Å; L296-Y301 HydrophobicContact CB-CE2 3.99Å; L296-Y301 HydrophobicContact CD1-CD2 4.28Å; L296-Y301 HydrophobicContact CG-CD2 4.49Å; L296-Y301 WeakPolarHBondContact O-CE2 3.36Å; R299-Y301 HydrophobicContact CB-CD2 4.4Å; R299-Y301 HydrophobicContact CB-CE2 3.55Å; R299-Y301 WeakPolarHBondContact CD-OH 3.45Å; Y301-H305 HydrophobicContact CD1-CB 4.28Å; Y301-R309 VanDerWaalsContact CE1-NH2 3.25Å
302C91.8Very high84.7Confident11 Ų1176.1 Ų76.17%0.07439%0.39CS..EExtended strand (participates in β ladder)trans-73.7163.3167.959.40000110.6C281 C284 L288 S304 H305 A306C281-C302 HydrophobicContact CB-CB 4.3Å; C281-C302 PolarHBondContact SG-N 3.35Å; C284-C302 VanDerWaalsContact SG-SG 3.63Å; L288-C302 HydrophobicContact CD2-CB 3.65Å; C302-S304 VanDerWaalsContact C-N 3.27Å; C302-S304 PolarHBondContact O-N 2.91Å; C302-S304 PolarHBondContact SG-OG 3.33Å; C302-H305 PolarHBondContact O-N 3.13Å; C302-H305 VanDerWaalsContact O-N 3.13Å; C302-H305 VanDerWaalsContact SG-CG 3.56Å; C302-H305 PolarHBondContact SG-ND1 3.42Å; C302-A306 WeakPolarHBondContact O-CB 3.27Å; C302-A306 PolarHBondContact O-N 2.89Å
303E88.8Confident84Confident105 Ų10578.9 Ų78.949%0.49140%0.398SS..Hα-helixtrans-49.9-43.6-178.8-173.8-178.5170.100114F294 K307F294-E303 HydrophobicContact CD2-CB 4.38Å; F294-E303 VanDerWaalsContact CE2-CA 3.48Å; F294-E303 HydrophobicContact CE2-CB 3.75Å; F294-E303 HydrophobicContact CE2-CG 3.82Å; F294-E303 HydrophobicContact CZ-CG 4.28Å; E303-K307 HydrophobicContact CG-CD 4.06Å; E303-K307 WeakPolarHBondContact O-CB 3.35Å; E303-K307 VanDerWaalsContact O-CG 3.29Å; E303-K307 WeakPolarHBondContact O-CG 3.28Å; E303-K307 PolarHBondContact O-N 3.41Å; E303-K307 WeakPolarHBondContact OE1-CE 3.23Å; E303-K307 IonicContact OE1-NZ 3.19Å; E303-K307 PolarHBondContact OE1-NZ 2.82Å
304S88.8Confident82.5Confident74 Ų7484.6 Ų84.652%0.51743%0.428SS..Hα-helixtrans-62.7-50.4178.252.70000112.6C302 A306 K307 A308C302-S304 VanDerWaalsContact C-N 3.27Å; C302-S304 PolarHBondContact O-N 2.91Å; C302-S304 PolarHBondContact SG-OG 3.33Å; S304-A306 VanDerWaalsContact C-N 3.34Å; S304-A306 PolarHBondContact O-N 2.94Å; S304-K307 PolarHBondContact O-N 2.77Å; S304-A308 WeakPolarHBondContact O-CB 3.45Å; S304-A308 PolarHBondContact O-N 2.82Å
305H89.4Confident81.1Confident57 Ų5784.3 Ų84.326%0.26445%0.45SS..Hα-helixtrans-74.5-24.9-177.1-68.1151.8000113.7C281 D283 C284 Y301 C302 R309C281-H305 PolarHBondContact SG-ND1 3.43Å; D283-H305 WeakPolarHBondContact OD2-CB 2.89Å; D283-H305 IonicContact OD2-CG 3.03Å; D283-H305 IonicContact OD2-ND1 2.82Å; C284-H305 PolarHBondContact SG-CE1 3.12Å; Y301-H305 HydrophobicContact CD1-CB 4.28Å; C302-H305 PolarHBondContact O-N 3.13Å; C302-H305 VanDerWaalsContact O-N 3.13Å; C302-H305 VanDerWaalsContact SG-CG 3.56Å; C302-H305 PolarHBondContact SG-ND1 3.42Å; H305-R309 WeakPolarHBondContact O-CG 3.44Å; H305-R309 PolarHBondContact O-NH1 3.02Å; H305-R309 VanDerWaalsContact O-NH1 3.07Å
306A89.8Confident79.6Confident1 Ų192 Ų921%0.00848%0.479CS..Hα-helixtrans-71.5-52.1171.900000110.8F294 L296 C302 S304 A308 R309 V310F294-A306 HydrophobicContact CB-CB 3.24Å; F294-A306 HydrophobicContact CD1-CB 3.96Å; F294-A306 HydrophobicContact CD2-CB 3.63Å; F294-A306 HydrophobicContact CE2-CB 4.49Å; F294-A306 HydrophobicContact CG-CB 3.32Å; L296-A306 HydrophobicContact CD1-CB 3.93Å; C302-A306 WeakPolarHBondContact O-CB 3.27Å; C302-A306 PolarHBondContact O-N 2.89Å; S304-A306 VanDerWaalsContact C-N 3.34Å; S304-A306 PolarHBondContact O-N 2.94Å; A306-A308 PolarHBondContact O-N 3.07Å; A306-R309 PolarHBondContact O-N 2.66Å; A306-V310 WeakPolarHBondContact O-CG2 3.15Å; A306-V310 PolarHBondContact O-N 3.22Å
307K85.9Confident78.3Confident105 Ų10596.5 Ų96.546%0.45750%0.503SS..Hα-helixtrans-58.1-36.1177.4-76175.9175.1176.70112.5E303 S304 R309 K311E303-K307 HydrophobicContact CG-CD 4.06Å; E303-K307 WeakPolarHBondContact O-CB 3.35Å; E303-K307 VanDerWaalsContact O-CG 3.29Å; E303-K307 WeakPolarHBondContact O-CG 3.28Å; E303-K307 PolarHBondContact O-N 3.41Å; E303-K307 WeakPolarHBondContact OE1-CE 3.23Å; E303-K307 IonicContact OE1-NZ 3.19Å; E303-K307 PolarHBondContact OE1-NZ 2.82Å; S304-K307 PolarHBondContact O-N 2.77Å; K307-R309 PolarHBondContact O-N 3.16Å; K307-K311 WeakPolarHBondContact O-CG 3.24Å; K307-K311 PolarHBondContact O-N 3.14Å
308A85.1Confident77.3Confident72 Ų7295.7 Ų95.760%0.59550%0.503SS*.Hα-helixtrans-62.9-30.5174.500000113.1S304 A306S304-A308 WeakPolarHBondContact O-CB 3.45Å; S304-A308 PolarHBondContact O-N 2.82Å; A306-A308 PolarHBondContact O-N 3.07Å
309R81.9Confident76.1Confident104 Ų10494.8 Ų94.839%0.39251%0.506SS..Hα-helixtrans-89.5-33.4-178.6-73.4-175.6176.186.8-4.4114.4D283 L296 Y301 H305 A306 K307D283-R309 IonicContact OD1-CZ 2.78Å; D283-R309 IonicContact OD1-NH2 3.17Å; D283-R309 PolarHBondContact OD1-NH2 3.5Å; D283-R309 IonicContact OD2-CZ 2.81Å; D283-R309 IonicContact OD2-NH1 3.85Å; D283-R309 PolarHBondContact OD2-NH1 3.47Å; D283-R309 IonicContact OD2-NH2 3.46Å; D283-R309 PolarHBondContact OD2-NH2 3.22Å; L296-R309 HydrophobicContact CD1-CB 4.06Å; Y301-R309 VanDerWaalsContact CE1-NH2 3.25Å; H305-R309 WeakPolarHBondContact O-CG 3.44Å; H305-R309 PolarHBondContact O-NH1 3.02Å; H305-R309 VanDerWaalsContact O-NH1 3.07Å; A306-R309 PolarHBondContact O-N 2.66Å; K307-R309 PolarHBondContact O-N 3.16Å
310V78.7Confident74.4Confident87 Ų8791.1 Ų91.153%0.52751%0.508SS..Hα-helixtrans-88.9-0.2-179.1-64.50000113.9L296 A306 P312L296-V310 HydrophobicContact CD1-CG1 3.9Å; L296-V310 HydrophobicContact CD2-CG1 3.45Å; L296-V310 VanDerWaalsContact CD2-CG1 3.45Å; L296-V310 HydrophobicContact CG-CG1 4.33Å; A306-V310 WeakPolarHBondContact O-CG2 3.15Å; A306-V310 PolarHBondContact O-N 3.22Å; V310-P312 VanDerWaalsContact O-CD 3.23Å; V310-P312 WeakPolarHBondContact O-CD 3.26Å
311K67.4Low72.9Confident164 Ų16497 Ų9771%0.71354%0.543SS*.PPolyproline II helixtrans-65.9117.2172.5-90.9-179.4176.6-167.50108.6K307K307-K311 WeakPolarHBondContact O-CG 3.24Å; K307-K311 PolarHBondContact O-N 3.14Å
312P62.1Low70.8Confident81 Ų81105.7 Ų105.753%0.52658%0.577SS.*PPolyproline II helixtrans-60.1153.2172.524.4-30.6000109.5V310 E314V310-P312 VanDerWaalsContact O-CD 3.23Å; V310-P312 WeakPolarHBondContact O-CD 3.26Å; P312-E314 PolarHBondContact O-N 3.01Å
313P67.1Low69.3Low112 Ų112111 Ų11173%0.72761%0.612SS**PPolyproline II helixtrans-48.8134.9173.5-23.231.8000110.3G315 Y316P313-G315 PolarHBondContact O-N 2.76Å; P313-Y316 PolarHBondContact O-N 3.31Å
314E57Low67.5Low212 Ų212113.4 Ų113.499%0.99163%0.628SS**THydrogen-bonded Turntrans-59.8101.3-178.9-155.7162.6-156.800108.6P312P312-E314 PolarHBondContact O-N 3.01Å
315G60.2Low65.8Low81 Ų81114 Ų11484%0.83564%0.638SS**THydrogen-bonded Turntrans136.7-1.2-178.500000117.9P313P313-G315 PolarHBondContact O-N 2.76Å
316Y58.6Low63.9Low197 Ų197119.4 Ų119.477%0.77366%0.661SS**  trans-100.4114.9173.5-142.4-91.8000111.2P313P313-Y316 PolarHBondContact O-N 3.31Å
317D58.9Low62Low134 Ų134125.4 Ų125.472%0.71770%0.697SS**  trans-71.3127.7177.2-162.86.3000110V319D317-V319 VanDerWaalsContact C-N 3.33Å; D317-V319 PolarHBondContact O-N 3.03Å
318V61.4Low60.2Low122 Ų122127.3 Ų127.374%0.73971%0.707SS**  trans-82.185-177.7-168.30000107.7A320V318-A320 PolarHBondContact O-N 3.11Å
319V59.9Low58.4Low110 Ų110131.7 Ų131.767%0.66772%0.72SS**  trans-71.9111.7174.2-176.70000108.7D317 V321D317-V319 VanDerWaalsContact C-N 3.33Å; D317-V319 PolarHBondContact O-N 3.03Å; V319-V321 PolarHBondContact O-N 3.38Å; V319-V321 VanDerWaalsContact O-N 3.08Å
320A49.3Very low57.1Low71 Ų71136.8 Ų136.859%0.58776%0.762SS**  trans-67.6104.1170.900000109.5V318 Y322V318-A320 PolarHBondContact O-N 3.11Å; A320-Y322 HydrophobicContact CB-CE2 4.21Å; A320-Y322 PolarHBondContact O-N 3.49Å
321V58.1Low56Low128 Ų128139.3 Ų139.378%0.77677%0.773SS**  trans-86.5108.6170.6-173.90000108.3V319V319-V321 PolarHBondContact O-N 3.38Å; V319-V321 VanDerWaalsContact O-N 3.08Å
322Y47.4Very low55.4Low191 Ų191137.9 Ų137.975%0.74978%0.777SS**  trans-76129.2173.5-71.5-90.9000110A320 N324A320-Y322 HydrophobicContact CB-CE2 4.21Å; A320-Y322 PolarHBondContact O-N 3.49Å; Y322-N324 PolarHBondContact O-N 3.15Å
323P59.9Low55Low122 Ų122141.1 Ų141.179%0.79279%0.791SS**THydrogen-bonded Turntrans-73.217.8-171.126.1-32.9000116.5
324N50.8Low54.3Low156 Ų156142.8 Ų142.883%0.83479%0.794SS**THydrogen-bonded Turntrans-129.937-176-75.7-20.3000114.6Y322 K326Y322-N324 PolarHBondContact O-N 3.15Å; N324-K326 PolarHBondContact O-N 2.79Å; N324-K326 VanDerWaalsContact O-N 3.1Å
325A52.4Low54.2Low88 Ų88138.5 Ų138.573%0.72778%0.782SS**  trans-77.494.9165.100000109.3V327A325-V327 PolarHBondContact O-N 2.83Å; A325-V327 VanDerWaalsContact O-N 3.13Å
326K50.3Low53.8Low170 Ų170142.3 Ų142.374%0.73978%0.778SS**  trans-52.1112.6173.3-164.3-172-175-1490109.3N324 E328N324-K326 PolarHBondContact O-N 2.79Å; N324-K326 VanDerWaalsContact O-N 3.1Å; K326-E328 IonicContact NZ-OE1 2.82Å; K326-E328 PolarHBondContact NZ-OE1 3.36Å; K326-E328 PolarHBondContact O-N 3.48Å
327V50.3Low53.4Low126 Ų126138.4 Ų138.476%0.76478%0.779SS**  trans-81.5100.1173.5-160.40000106.9A325A325-V327 PolarHBondContact O-N 2.83Å; A325-V327 VanDerWaalsContact O-N 3.13Å
328E46.7Very low53Low146 Ų146138.8 Ų138.868%0.68278%0.784SS**  trans-86.1111.3162.5-83.2-177.4-178.300107.8K326K326-E328 IonicContact NZ-OE1 2.82Å; K326-E328 PolarHBondContact NZ-OE1 3.36Å; K326-E328 PolarHBondContact O-N 3.48Å
329L47.1Very low52.3Low164 Ų164140.2 Ų140.286%0.85979%0.787SS**  trans-74.6119.1166.7-79.2138.6000107.9
330V55.5Low51.6Low210 Ų210142.9 Ų142.9100%1.27380%0.798SS**  trans-86.60158.1170.20000108.4

Retrieved 330 of 330 residues in 208.9 ms (Link to these results)

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