A0A077ZM36_TRITR Loading...

Kringle domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZM36, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 252 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M75.4Confident81.3Confident95 Ų9571.5 Ų71.547%0.46839%0.393SS..  0130.70-65.2-54.1-170.300109.2E10 C12 L81 M86M1-E10 CarbonylContact C-O 3.56Å; M1-E10 WeakPolarHBondContact CA-O 3.38Å; M1-C12 PolarHBondContact O-SG 2.57Å; M1-L81 HydrophobicContact CE-CD1 4.09Å; M1-M86 HydrophobicContact CE-CE 3.64Å; M1-M86 HydrophobicContact CE-SD 3.13Å; M1-M86 WeakPolarHBondContact CE-SD 3.47Å; M1-M86 HydrophobicContact CG-SD 4.35Å; M1-M86 HydrophobicContact SD-SD 3.52Å
2C81.4Confident81.3Confident52 Ų5270.2 Ų70.235%0.35139%0.391SS..EExtended strand (participates in β ladder)trans-118.2156.7-178.5-80.40000108.9R9 E10 C12C2-R9 CarbonylContact O-C 3.45Å; C2-R9 WeakPolarHBondContact O-CA 3.43Å; C2-E10 PolarHBondContact N-O 3.25Å; C2-E10 PolarHBondContact O-N 3.06Å; C2-C12 WeakPolarHBondContact CA-SG 3.03Å; C2-C12 HydrophobicContact CB-CB 3.93Å; C2-C12 WeakPolarHBondContact CB-SG 3.45Å; C2-C12 PolarHBondContact N-SG 3.31Å; C2-C12 VanDerWaalsContact SG-CA 3.54Å; C2-C12 WeakPolarHBondContact SG-CB 3.42Å; C2-C12 CovalentContact SG-SG 2.02Å; C2-C12 PolarHBondContact SG-SG 3.16Å
3Y81.2Confident81.5Confident133 Ų13377.2 Ų77.252%0.52241%0.41SS..EExtended strand (participates in β ladder)trans-93.2122.5177.5-73.6-86.8000109.4T8 R9Y3-T8 WeakPolarHBondContact CA-O 3.27Å; Y3-R9 HydrophobicContact CD1-CG 3.73Å; Y3-R9 HydrophobicContact CE1-CG 3.58Å; Y3-R9 HydrophobicContact CG-CG 4.32Å
4I82.7Confident81.9Confident83 Ų8375.1 Ų75.143%0.42639%0.394SS..SBendtrans-75.1-37169.3-58.3163.5000109.2T8 E10 E87I4-T8 HydrophobicContact CD1-CG2 4.44Å; I4-T8 PolarHBondContact N-O 2.7Å; I4-E10 HydrophobicContact CD1-CB 3.69Å; I4-E10 HydrophobicContact CD1-CG 3.94Å; I4-E10 WeakPolarHBondContact CD1-OE2 3.46Å; I4-E10 HydrophobicContact CG1-CB 3.9Å; I4-E10 HydrophobicContact CG1-CG 3.58Å; I4-E10 WeakPolarHBondContact CG1-OE1 3.46Å; I4-E87 HydrophobicContact CD1-CB 3.93Å; I4-E87 HydrophobicContact CD1-CG 3.9Å
5N83.6Confident82.3Confident76 Ų7671.1 Ų71.141%0.40638%0.376SS..SBendtrans-149.2-177.6176.96549000109.7T7 T8N5-T7 PolarHBondContact O-N 2.67Å; N5-T7 PolarHBondContact OD1-N 2.87Å; N5-T7 PolarHBondContact OD1-OG1 2.88Å; N5-T8 PolarHBondContact ND2-OG1 3.4Å; N5-T8 WeakPolarHBondContact OD1-CB 3.14Å; N5-T8 PolarHBondContact OD1-N 3.24Å; N5-T8 PolarHBondContact OD1-OG1 2.99Å
6A80.4Confident82.4Confident100 Ų10069.1 Ų69.183%0.82637%0.369SS*.SBendtrans-57.1-21.1-175.600000114.9
7T80.9Confident82.6Confident94 Ų9470.8 Ų70.858%0.57738%0.375SS*.SBendtrans-121-20.9-172.350.50000114.5N5N5-T7 PolarHBondContact O-N 2.67Å; N5-T7 PolarHBondContact OD1-N 2.87Å; N5-T7 PolarHBondContact OD1-OG1 2.88Å
8T81.3Confident83Confident22 Ų2267.7 Ų67.714%0.13536%0.357CS..  trans-116.6132.4-169.7-50.90000111.5Y3 I4 N5 E87Y3-T8 WeakPolarHBondContact CA-O 3.27Å; I4-T8 HydrophobicContact CD1-CG2 4.44Å; I4-T8 PolarHBondContact N-O 2.7Å; N5-T8 PolarHBondContact ND2-OG1 3.4Å; N5-T8 WeakPolarHBondContact OD1-CB 3.14Å; N5-T8 PolarHBondContact OD1-N 3.24Å; N5-T8 PolarHBondContact OD1-OG1 2.99Å; T8-E87 HydrophobicContact CG2-CG 3.79Å
9R84.5Confident83.2Confident35 Ų3566.3 Ų66.313%0.13235%0.347CS..EExtended strand (participates in β ladder)trans-104.7161.7177.1-62.6177.1-63.6166.37.3112.3C2 Y3 L81 K84 P85 M86 E87C2-R9 CarbonylContact O-C 3.45Å; C2-R9 WeakPolarHBondContact O-CA 3.43Å; Y3-R9 HydrophobicContact CD1-CG 3.73Å; Y3-R9 HydrophobicContact CE1-CG 3.58Å; Y3-R9 HydrophobicContact CG-CG 4.32Å; R9-L81 PolarHBondContact NH2-O 3.15Å; R9-K84 PolarHBondContact NH2-O 3.39Å; R9-K84 VanDerWaalsContact NH2-O 3.11Å; R9-P85 PolarHBondContact N-O 3.1Å; R9-P85 VanDerWaalsContact N-O 3.08Å; R9-M86 HydrophobicContact CB-CG 4.22Å; R9-M86 CarbonylContact O-C 3.47Å; R9-M86 VanDerWaalsContact O-CA 3.29Å; R9-M86 WeakPolarHBondContact O-CA 3.27Å; R9-M86 WeakPolarHBondContact O-CG 3.22Å; R9-E87 PolarHBondContact O-N 3.2Å
10E82.9Confident83.4Confident82 Ų8265.5 Ų65.538%0.38334%0.343SS..EExtended strand (participates in β ladder)trans-143.5166.216867.3-178.5165.600111.2M1 C2 I4 C12M1-E10 CarbonylContact C-O 3.56Å; M1-E10 WeakPolarHBondContact CA-O 3.38Å; C2-E10 PolarHBondContact N-O 3.25Å; C2-E10 PolarHBondContact O-N 3.06Å; I4-E10 HydrophobicContact CD1-CB 3.69Å; I4-E10 HydrophobicContact CD1-CG 3.94Å; I4-E10 WeakPolarHBondContact CD1-OE2 3.46Å; I4-E10 HydrophobicContact CG1-CB 3.9Å; I4-E10 HydrophobicContact CG1-CG 3.58Å; I4-E10 WeakPolarHBondContact CG1-OE1 3.46Å; E10-C12 PolarHBondContact O-N 3.08Å
11P80.5Confident83.7Confident15 Ų1562.8 Ų62.810%0.09733%0.329CS..  trans-56.5122.9164.1-23.435000110.9Y14P11-Y14 HydrophobicContact CB-CE1 4.07Å; P11-Y14 HydrophobicContact CG-CE1 4.4Å
12C80.3Confident84.4Confident55 Ų5560.4 Ų60.437%0.37232%0.316SS..SBendtrans-65.7-40.8-179.7-720000112.8M1 C2 E10M1-C12 PolarHBondContact O-SG 2.57Å; C2-C12 WeakPolarHBondContact CA-SG 3.03Å; C2-C12 HydrophobicContact CB-CB 3.93Å; C2-C12 WeakPolarHBondContact CB-SG 3.45Å; C2-C12 PolarHBondContact N-SG 3.31Å; C2-C12 VanDerWaalsContact SG-CA 3.54Å; C2-C12 WeakPolarHBondContact SG-CB 3.42Å; C2-C12 CovalentContact SG-SG 2.02Å; C2-C12 PolarHBondContact SG-SG 3.16Å; E10-C12 PolarHBondContact O-N 3.08Å
13Y83.7Confident85Confident161 Ų16157.9 Ų57.963%0.63130%0.299SS*.  trans-150.5146.1-173.357.8-95.5000106.9N35Y13-N35 PolarHBondContact O-ND2 3.31Å; Y13-N35 PolarHBondContact O-OD1 2.8Å
14Y87.6Confident85.6Confident48 Ų4851.6 Ų51.619%0.18827%0.274CS..  trans-89.9144164.5-61.4-55.6000108.4P11 C16 N35 P37 Q90P11-Y14 HydrophobicContact CB-CE1 4.07Å; P11-Y14 HydrophobicContact CG-CE1 4.4Å; Y14-C16 PolarHBondContact O-N 3.04Å; Y14-N35 CarbonylContact C-O 3.6Å; Y14-N35 WeakPolarHBondContact CA-O 3.47Å; Y14-P37 HydrophobicContact CD2-CB 3.93Å; Y14-P37 HydrophobicContact CD2-CG 4.4Å; Y14-P37 HydrophobicContact CE1-CB 4.44Å; Y14-P37 HydrophobicContact CE2-CB 3.69Å; Y14-P37 HydrophobicContact CG-CB 4.41Å; Y14-Q90 HydrophobicContact CE1-CG 4.06Å; Y14-Q90 PolarHBondContact OH-NE2 3.29Å
15A87.7Confident86.1Confident16 Ų1649.8 Ų49.813%0.13227%0.266CS..  trans-63.4133.9168.100000108.3E17 H18 R19 N35A15-E17 VanDerWaalsContact C-N 3.29Å; A15-E17 HydrophobicContact CB-CG 4.32Å; A15-E17 PolarHBondContact O-N 2.79Å; A15-H18 HydrophobicContact CB-CB 4.21Å; A15-H18 WeakPolarHBondContact CB-ND1 3.39Å; A15-H18 WeakPolarHBondContact O-CA 3.48Å; A15-H18 WeakPolarHBondContact O-CB 3.42Å; A15-H18 PolarHBondContact O-N 2.71Å; A15-R19 PolarHBondContact O-N 2.56Å; A15-N35 HydrophobicContact CB-CB 4.37Å; A15-N35 PolarHBondContact N-O 3.39Å
16C84.8Confident86.5Confident39 Ų3951.2 Ų51.226%0.26427%0.265SS..Hα-helixtrans-64.7-37.7-170.7-67.60000111.8Y14 H18 R19 C250Y14-C16 PolarHBondContact O-N 3.04Å; C16-H18 PolarHBondContact O-N 2.78Å; C16-H18 VanDerWaalsContact O-N 3.16Å; C16-R19 PolarHBondContact O-N 2.81Å; C16-C250 VanDerWaalsContact CA-SG 3.55Å; C16-C250 HydrophobicContact CB-CB 3.74Å; C16-C250 WeakPolarHBondContact CB-SG 2.97Å; C16-C250 WeakPolarHBondContact SG-CA 3.5Å; C16-C250 WeakPolarHBondContact SG-CB 3.05Å; C16-C250 CovalentContact SG-SG 2.03Å; C16-C250 PolarHBondContact SG-SG 2.98Å
17E84.9Confident87Confident98 Ų9852.6 Ų52.646%0.45826%0.259SS..Hα-helixtrans-63.6-11.1171.268-88.3-155.300114.2A15 N238A15-E17 VanDerWaalsContact C-N 3.29Å; A15-E17 HydrophobicContact CB-CG 4.32Å; A15-E17 PolarHBondContact O-N 2.79Å; E17-N238 VanDerWaalsContact O-CG 3.23Å; E17-N238 PolarHBondContact O-ND2 3.29Å; E17-N238 PolarHBondContact O-OD1 2.79Å
18H90.2Very high87.5Confident14 Ų1451 Ų517%0.06525%0.245CC..Hα-helixtrans-108.6-8.4179.4-65.6157.2000113.3A15 C16 E33 Y34 N35A15-H18 HydrophobicContact CB-CB 4.21Å; A15-H18 WeakPolarHBondContact CB-ND1 3.39Å; A15-H18 WeakPolarHBondContact O-CA 3.48Å; A15-H18 WeakPolarHBondContact O-CB 3.42Å; A15-H18 PolarHBondContact O-N 2.71Å; C16-H18 PolarHBondContact O-N 2.78Å; C16-H18 VanDerWaalsContact O-N 3.16Å; H18-E33 PolarHBondContact CE1-O 2.67Å; H18-Y34 HydrophobicContact CB-CD2 3.99Å; H18-Y34 HydrophobicContact CB-CE2 3.69Å; H18-Y34 AromaticContact CG-CD2 3.89Å; H18-Y34 PolarHBondContact O-OH 3.2Å; H18-N35 PolarHBondContact ND1-N 3.09Å
19R86.8Confident88Confident41 Ų4150.4 Ų50.416%0.15524%0.241CC..Hα-helixtrans-65.4-50.1-176.2-75.5-175.9169.8-83.80.3112.5A15 C16 H247 D249A15-R19 PolarHBondContact O-N 2.56Å; C16-R19 PolarHBondContact O-N 2.81Å; R19-H247 VanDerWaalsContact CD-CD2 3.49Å; R19-H247 WeakPolarHBondContact CD-CD2 3.38Å; R19-D249 IonicContact CZ-OD2 3.37Å; R19-D249 IonicContact NE-OD2 3.66Å; R19-D249 IonicContact NH2-OD1 3.95Å; R19-D249 IonicContact NH2-OD2 2.63Å; R19-D249 PolarHBondContact NH2-OD2 2.98Å
20N86.2Confident88.3Confident50 Ų5051.4 Ų51.427%0.26725%0.248SC..SBendtrans-104.715.7-178-70.4-20.6000112.8F22 E246N20-F22 PolarHBondContact O-N 2.99Å; N20-E246 PolarHBondContact ND2-OE2 2.93Å
21L90.6Very high88.7Confident9 Ų952 Ų525%0.04725%0.254CS..  trans-66129.8177.3-16670.2000110.2C23 I24 I32 Y34 F134 E234L21-C23 WeakPolarHBondContact CD1-O 3.33Å; L21-I24 HydrophobicContact CD2-CD1 4.17Å; L21-I24 HydrophobicContact CD2-CG1 3.68Å; L21-I24 HydrophobicContact CG-CG1 4.2Å; L21-I32 HydrophobicContact CD2-CD1 3.82Å; L21-Y34 HydrophobicContact CB-CE2 4.33Å; L21-Y34 HydrophobicContact CD2-CD2 3.75Å; L21-Y34 HydrophobicContact CD2-CE2 3.75Å; L21-F134 HydrophobicContact CB-CE1 4.22Å; L21-F134 HydrophobicContact CD2-CE1 4.06Å; L21-F134 HydrophobicContact CD2-CZ 4.26Å; L21-F134 HydrophobicContact CG-CE1 3.95Å; L21-F134 WeakPolarHBondContact O-CE1 3.41Å; L21-E234 HydrophobicContact CD1-CG 3.67Å
22F89.6Confident89.3Confident45 Ų4551.3 Ų51.320%0.19725%0.249CC..  trans-128.6-32-170.866.8-65.5000111.3N20 M140 H232 H237N20-F22 PolarHBondContact O-N 2.99Å; F22-M140 HydrophobicContact CD2-CE 3.36Å; F22-M140 HydrophobicContact CD2-SD 4.35Å; F22-M140 HydrophobicContact CE2-CE 3.19Å; F22-M140 HydrophobicContact CZ-CE 4.35Å; F22-H232 HydrophobicContact CE2-CB 4.25Å; F22-H232 AromaticContact CE2-ND1 3.6Å; F22-H232 HydrophobicContact CZ-CB 4.37Å; F22-H237 HydrophobicContact CD1-CB 3.42Å; F22-H237 VanDerWaalsContact CD1-CB 3.42Å; F22-H237 AromaticContact CD1-CD2 3.4Å; F22-H237 VanDerWaalsContact CD1-CD2 3.4Å; F22-H237 WeakPolarHBondContact CD1-CD2 3.2Å; F22-H237 AromaticContact CD1-CG 3.25Å; F22-H237 AromaticContact CD1-ND1 3.82Å; F22-H237 AromaticContact CD1-NE2 3.98Å; F22-H237 HydrophobicContact CE1-CB 3.42Å; F22-H237 VanDerWaalsContact CE1-CB 3.42Å; F22-H237 AromaticContact CE1-CD2 2.78Å; F22-H237 WeakPolarHBondContact CE1-CD2 3.32Å; F22-H237 AromaticContact CE1-CG 3.12Å; F22-H237 AromaticContact CE1-ND1 3.99Å; F22-H237 AromaticContact CE1-NE2 3.52Å; F22-H237 AromaticContact CE2-CD2 3.64Å; F22-H237 AromaticContact CE2-NE2 3.42Å; F22-H237 WeakPolarHBondContact CE2-NE2 3.23Å; F22-H237 HydrophobicContact CZ-CB 4.43Å; F22-H237 AromaticContact CZ-CD2 2.89Å; F22-H237 WeakPolarHBondContact CZ-CD2 3.49Å; F22-H237 AromaticContact CZ-CG 3.71Å; F22-H237 AromaticContact CZ-NE2 3.18Å; F22-H237 WeakPolarHBondContact CZ-NE2 3.24Å
23C93.9Very high90Very high0 Ų055.9 Ų55.90%027%0.265CS..EExtended strand (participates in β ladder)trans-133.7163.8164.668.50000109.7L21 R135 C137 M140L21-C23 WeakPolarHBondContact CD1-O 3.33Å; C23-R135 WeakPolarHBondContact CA-O 3.38Å; C23-R135 WeakPolarHBondContact CB-O 3.41Å; C23-C137 HydrophobicContact CB-CB 3.94Å; C23-C137 WeakPolarHBondContact CB-SG 2.99Å; C23-C137 WeakPolarHBondContact SG-CA 2.99Å; C23-C137 WeakPolarHBondContact SG-CB 3.32Å; C23-C137 CovalentContact SG-SG 2.04Å; C23-C137 PolarHBondContact SG-SG 3.36Å; C23-M140 HydrophobicContact CB-CE 3.83Å; C23-M140 HydrophobicContact CB-CG 3.98Å; C23-M140 HydrophobicContact CB-SD 3.81Å
24I94.5Very high90.4Very high0 Ų048.7 Ų48.70%024%0.237CC..EExtended strand (participates in β ladder)trans-124.8137.4176.7-63.6158.8000107.2L21 H28 M29 I32 P118 F134 R135 T136 C137L21-I24 HydrophobicContact CD2-CD1 4.17Å; L21-I24 HydrophobicContact CD2-CG1 3.68Å; L21-I24 HydrophobicContact CG-CG1 4.2Å; I24-H28 HydrophobicContact CG2-CB 3.92Å; I24-M29 HydrophobicContact CB-CE 3.68Å; I24-M29 HydrophobicContact CB-SD 3.85Å; I24-M29 HydrophobicContact CD1-SD 3.85Å; I24-M29 HydrophobicContact CG1-SD 4.45Å; I24-M29 HydrophobicContact CG2-CB 4.25Å; I24-M29 HydrophobicContact CG2-CE 4.24Å; I24-M29 HydrophobicContact CG2-SD 4.03Å; I24-I32 HydrophobicContact CD1-CD1 3.82Å; I24-I32 HydrophobicContact CD1-CG2 4.12Å; I24-I32 HydrophobicContact CG1-CD1 3.89Å; I24-I32 HydrophobicContact CG2-CD1 4.11Å; I24-I32 HydrophobicContact CG2-CG2 4.35Å; I24-P118 HydrophobicContact CD1-CG 3.77Å; I24-F134 HydrophobicContact CD1-CB 3.71Å; I24-F134 HydrophobicContact CD1-CD1 3.85Å; I24-F134 HydrophobicContact CD1-CD2 3.61Å; I24-F134 HydrophobicContact CD1-CE1 4.36Å; I24-F134 HydrophobicContact CD1-CE2 4.15Å; I24-F134 HydrophobicContact CD1-CG 3.43Å; I24-F134 VanDerWaalsContact CD1-CG 3.43Å; I24-F134 HydrophobicContact CD1-CZ 4.5Å; I24-F134 HydrophobicContact CG1-CB 4.26Å; I24-F134 HydrophobicContact CG1-CD1 4.01Å; I24-F134 HydrophobicContact CG1-CG 4.06Å; I24-R135 PolarHBondContact N-O 3Å; I24-T136 CarbonylContact O-C 3.53Å; I24-T136 WeakPolarHBondContact O-CA 3.27Å; I24-C137 VanDerWaalsContact C-SG 3.56Å; I24-C137 PolarHBondContact N-SG 2.94Å; I24-C137 PolarHBondContact O-N 2.82Å
25D93.9Very high90.6Very high46 Ų4648.9 Ų48.925%0.24624%0.241CC..  trans-65.1142.7177.7-71.5-22.1000109.7D27 H28 M29 C137 E234D25-D27 VanDerWaalsContact C-N 3.25Å; D25-D27 WeakPolarHBondContact CB-OD1 3.23Å; D25-D27 PolarHBondContact O-N 3.04Å; D25-D27 VanDerWaalsContact O-N 3.16Å; D25-H28 PolarHBondContact O-N 3.05Å; D25-M29 PolarHBondContact O-N 3.17Å; D25-C137 VanDerWaalsContact OD1-CB 3.24Å; D25-C137 WeakPolarHBondContact OD1-CB 2.84Å; D25-C137 PolarHBondContact OD1-SG 2.01Å; D25-E234 HydrophobicContact CB-CB 4.33Å; D25-E234 PolarHBondContact N-OE2 2.98Å; D25-E234 PolarHBondContact OD1-N 3.44Å; D25-E234 VanDerWaalsContact OD1-N 3.15Å; D25-E234 WeakPolarHBondContact OD2-CB 2.89Å
26R90.7Very high90.8Very high106 Ų10648.1 Ų48.140%0.424%0.235SC..THydrogen-bonded Turntrans-57.9-35.2-168.7-178.6-176.662.7-149.1-7.1113.9H28 M29 T136 E138R26-H28 VanDerWaalsContact C-N 3.34Å; R26-M29 WeakPolarHBondContact O-CB 3.05Å; R26-T136 HydrophobicContact CB-CG2 3.97Å; R26-T136 HydrophobicContact CG-CG2 4.16Å; R26-E138 PolarHBondContact N-OE2 2.01Å
27D90.8Very high91.1Very high128 Ų12848.3 Ų48.368%0.68424%0.236SC*.THydrogen-bonded Turntrans-72.2-26.4177.760.3-24.9000113.2D25D25-D27 VanDerWaalsContact C-N 3.25Å; D25-D27 WeakPolarHBondContact CB-OD1 3.23Å; D25-D27 PolarHBondContact O-N 3.04Å; D25-D27 VanDerWaalsContact O-N 3.16Å
28H92.5Very high91.6Very high62 Ų6246.3 Ų46.329%0.28723%0.226SC..THydrogen-bonded Turntrans-83.2-28.2174.9-169.9-162000112.8I24 D25 R26 L30 N31 I32 E234I24-H28 HydrophobicContact CG2-CB 3.92Å; D25-H28 PolarHBondContact O-N 3.05Å; R26-H28 VanDerWaalsContact C-N 3.34Å; H28-L30 VanDerWaalsContact C-N 3.28Å; H28-L30 PolarHBondContact O-N 3.41Å; H28-N31 PolarHBondContact O-N 2.91Å; H28-I32 VanDerWaalsContact CE1-CG1 3.46Å; H28-I32 WeakPolarHBondContact CE1-CG1 3.34Å; H28-I32 WeakPolarHBondContact NE2-CB 3.13Å; H28-I32 WeakPolarHBondContact NE2-CG1 3.08Å; H28-I32 PolarHBondContact O-N 3.02Å; H28-E234 IonicContact CE1-OE1 2.72Å; H28-E234 PolarHBondContact CE1-OE1 2.63Å; H28-E234 VanDerWaalsContact CE1-OE1 3.26Å; H28-E234 IonicContact CG-OE2 3.4Å; H28-E234 VanDerWaalsContact ND1-CD 3.31Å; H28-E234 IonicContact ND1-OE1 3.28Å; H28-E234 PolarHBondContact ND1-OE1 2.84Å; H28-E234 IonicContact ND1-OE2 2.83Å; H28-E234 PolarHBondContact ND1-OE2 3.11Å
29M91.6Very high91.9Very high9 Ų948.1 Ų48.14%0.04424%0.236CC..THydrogen-bonded Turntrans-50.8-38.2-171.1-167.768.578.400115I24 D25 R26 N93 K116 G117 F134 T136I24-M29 HydrophobicContact CB-CE 3.68Å; I24-M29 HydrophobicContact CB-SD 3.85Å; I24-M29 HydrophobicContact CD1-SD 3.85Å; I24-M29 HydrophobicContact CG1-SD 4.45Å; I24-M29 HydrophobicContact CG2-CB 4.25Å; I24-M29 HydrophobicContact CG2-CE 4.24Å; I24-M29 HydrophobicContact CG2-SD 4.03Å; D25-M29 PolarHBondContact O-N 3.17Å; R26-M29 WeakPolarHBondContact O-CB 3.05Å; M29-N93 PolarHBondContact O-ND2 3.11Å; M29-K116 WeakPolarHBondContact CG-O 3.16Å; M29-G117 WeakPolarHBondContact O-CA 3.47Å; M29-F134 HydrophobicContact CE-CB 4.39Å; M29-T136 HydrophobicContact CE-CG2 3.65Å
30L89.7Confident92.4Very high55 Ų5550.4 Ų50.429%0.28825%0.247SC..THydrogen-bonded Turntrans-78.2-22.7-177.7-61.7-179.1000113.9H28 L95 Q101 K116H28-L30 VanDerWaalsContact C-N 3.28Å; H28-L30 PolarHBondContact O-N 3.41Å; L30-L95 HydrophobicContact CB-CD2 4.04Å; L30-L95 HydrophobicContact CD2-CD2 3.75Å; L30-L95 HydrophobicContact CG-CD2 4.44Å; L30-Q101 PolarHBondContact O-NE2 2.96Å; L30-K116 HydrophobicContact CD2-CB 4.22Å; L30-K116 HydrophobicContact CD2-CG 4.14Å
31N92.9Very high92.8Very high94 Ų9448.3 Ų48.350%0.50324%0.236SC..THydrogen-bonded Turntrans-118.3-8.2-168.3-60.2-51.4000113.3H28 E33 Q101H28-N31 PolarHBondContact O-N 2.91Å; N31-E33 PolarHBondContact O-N 3.27Å; N31-E33 VanDerWaalsContact O-N 3.16Å; N31-Q101 PolarHBondContact OD1-NE2 3.23Å
32I93.2Very high92.9Very high1 Ų149.3 Ų49.31%0.00524%0.241CC..  trans-61.1117.7178.6-172.1172.1000111.2L21 I24 H28 Y34 N93 P118L21-I32 HydrophobicContact CD2-CD1 3.82Å; I24-I32 HydrophobicContact CD1-CD1 3.82Å; I24-I32 HydrophobicContact CD1-CG2 4.12Å; I24-I32 HydrophobicContact CG1-CD1 3.89Å; I24-I32 HydrophobicContact CG2-CD1 4.11Å; I24-I32 HydrophobicContact CG2-CG2 4.35Å; H28-I32 VanDerWaalsContact CE1-CG1 3.46Å; H28-I32 WeakPolarHBondContact CE1-CG1 3.34Å; H28-I32 WeakPolarHBondContact NE2-CB 3.13Å; H28-I32 WeakPolarHBondContact NE2-CG1 3.08Å; H28-I32 PolarHBondContact O-N 3.02Å; I32-Y34 HydrophobicContact CD1-CD2 4.41Å; I32-Y34 PolarHBondContact O-N 3.38Å; I32-N93 WeakPolarHBondContact CG2-ND2 3.39Å; I32-N93 VanDerWaalsContact O-CB 3.24Å; I32-N93 WeakPolarHBondContact O-CB 3.19Å; I32-N93 PolarHBondContact O-ND2 3.29Å; I32-P118 HydrophobicContact CG2-CG 4.02Å
33E93.2Very high92.9Very high151 Ų15152.5 Ų52.571%0.70625%0.252SS*.  trans-8267.7167.6-66.6-174.7179.900109.2H18 N31 N35 T96H18-E33 PolarHBondContact CE1-O 2.67Å; N31-E33 PolarHBondContact O-N 3.27Å; N31-E33 VanDerWaalsContact O-N 3.16Å; E33-N35 PolarHBondContact O-N 3.14Å; E33-N35 VanDerWaalsContact O-N 3.1Å; E33-T96 HydrophobicContact CG-CG2 4.26Å
34Y93.6Very high92.9Very high11 Ų1154.6 Ų54.64%0.04327%0.274CS..  trans-57.3120-174.7-179.8-101.2000111.1H18 L21 I32 G36 K38 C91 P118 F134H18-Y34 HydrophobicContact CB-CD2 3.99Å; H18-Y34 HydrophobicContact CB-CE2 3.69Å; H18-Y34 AromaticContact CG-CD2 3.89Å; H18-Y34 PolarHBondContact O-OH 3.2Å; L21-Y34 HydrophobicContact CB-CE2 4.33Å; L21-Y34 HydrophobicContact CD2-CD2 3.75Å; L21-Y34 HydrophobicContact CD2-CE2 3.75Å; I32-Y34 HydrophobicContact CD1-CD2 4.41Å; I32-Y34 PolarHBondContact O-N 3.38Å; Y34-G36 WeakPolarHBondContact CE1-O 3.42Å; Y34-G36 VanDerWaalsContact OH-CA 3.24Å; Y34-G36 WeakPolarHBondContact OH-CA 3.21Å; Y34-K38 HydrophobicContact CE1-CB 4.17Å; Y34-K38 WeakPolarHBondContact OH-CB 2.83Å; Y34-K38 PolarHBondContact OH-N 2.76Å; Y34-C91 HydrophobicContact CD1-CB 4.28Å; Y34-C91 WeakPolarHBondContact CD1-O 2.95Å; Y34-C91 HydrophobicContact CE1-CB 4.22Å; Y34-P118 HydrophobicContact CG-CB 4.48Å; Y34-P118 HydrophobicContact CG-CG 4.2Å; Y34-F134 HydrophobicContact CD1-CE2 4.3Å; Y34-F134 HydrophobicContact CD2-CE2 4.1Å; Y34-F134 AromaticContact CD2-CZ 3.97Å; Y34-F134 HydrophobicContact CD2-CZ 3.97Å; Y34-F134 HydrophobicContact CE1-CE2 4.15Å; Y34-F134 HydrophobicContact CE1-CZ 4.2Å; Y34-F134 HydrophobicContact CE2-CE1 4.41Å; Y34-F134 AromaticContact CE2-CE2 3.97Å; Y34-F134 HydrophobicContact CE2-CE2 3.97Å; Y34-F134 AromaticContact CE2-CZ 3.45Å; Y34-F134 HydrophobicContact CE2-CZ 3.45Å; Y34-F134 VanDerWaalsContact CE2-CZ 3.45Å; Y34-F134 HydrophobicContact CG-CE2 4.27Å; Y34-F134 AromaticContact CZ-CE2 3.99Å; Y34-F134 AromaticContact CZ-CZ 3.58Å
35N91.2Very high93Very high51 Ų5157.7 Ų57.727%0.27329%0.288SS..  trans-130.567176.7-179.529.9000109Y13 Y14 A15 H18 E33Y13-N35 PolarHBondContact O-ND2 3.31Å; Y13-N35 PolarHBondContact O-OD1 2.8Å; Y14-N35 CarbonylContact C-O 3.6Å; Y14-N35 WeakPolarHBondContact CA-O 3.47Å; A15-N35 HydrophobicContact CB-CB 4.37Å; A15-N35 PolarHBondContact N-O 3.39Å; H18-N35 PolarHBondContact ND1-N 3.09Å; E33-N35 PolarHBondContact O-N 3.14Å; E33-N35 VanDerWaalsContact O-N 3.1Å
36G91.8Very high93.1Very high1 Ų160.5 Ų60.51%0.0130%0.303CS..SBendtrans-132.1175.2179.300000112.8Y34 K38 Q90Y34-G36 WeakPolarHBondContact CE1-O 3.42Å; Y34-G36 VanDerWaalsContact OH-CA 3.24Å; Y34-G36 WeakPolarHBondContact OH-CA 3.21Å; G36-K38 VanDerWaalsContact C-N 3.29Å; G36-K38 PolarHBondContact O-N 2.8Å; G36-Q90 WeakPolarHBondContact O-CB 3.49Å; G36-Q90 WeakPolarHBondContact O-CG 3.41Å
37P92.1Very high93.5Very high43 Ų4356 Ų5628%0.27929%0.287SS..SBendtrans-78.9-6.8-171.431.8-35.7000114.1Y14 N39Y14-P37 HydrophobicContact CD2-CB 3.93Å; Y14-P37 HydrophobicContact CD2-CG 4.4Å; Y14-P37 HydrophobicContact CE1-CB 4.44Å; Y14-P37 HydrophobicContact CE2-CB 3.69Å; Y14-P37 HydrophobicContact CG-CB 4.41Å; P37-N39 PolarHBondContact O-N 2.9Å
38K94.9Very high93.7Very high56 Ų5651.7 Ų51.724%0.24326%0.264CS..  trans-62.7123.2-172.2-171.2173-167152.30110.8Y34 G36 K40 Q90 C91 C133 F134Y34-K38 HydrophobicContact CE1-CB 4.17Å; Y34-K38 WeakPolarHBondContact OH-CB 2.83Å; Y34-K38 PolarHBondContact OH-N 2.76Å; G36-K38 VanDerWaalsContact C-N 3.29Å; G36-K38 PolarHBondContact O-N 2.8Å; K38-K40 WeakPolarHBondContact CE-O 3.16Å; K38-Q90 CarbonylContact O-C 3.53Å; K38-Q90 VanDerWaalsContact O-CA 3.25Å; K38-Q90 WeakPolarHBondContact O-CA 3.5Å; K38-C91 PolarHBondContact O-N 2.81Å; K38-C91 PolarHBondContact O-SG 2.97Å; K38-C133 HydrophobicContact CD-CB 4.35Å; K38-C133 WeakPolarHBondContact CE-O 3.03Å; K38-C133 PolarHBondContact NZ-O 3.27Å; K38-F134 HydrophobicContact CB-CZ 4.07Å; K38-F134 HydrophobicContact CD-CD1 4.24Å; K38-F134 HydrophobicContact CD-CD2 4.37Å; K38-F134 HydrophobicContact CD-CE1 3.59Å; K38-F134 HydrophobicContact CD-CE2 3.74Å; K38-F134 HydrophobicContact CD-CZ 3.3Å; K38-F134 HydrophobicContact CG-CZ 4.28Å
39N96.1Very high93.8Very high52 Ų5250.4 Ų50.428%0.27826%0.262SS..  trans-134.129-179.5641.3000111.9P37 C47 N89P37-N39 PolarHBondContact O-N 2.9Å; N39-C47 HydrophobicContact CB-CB 4.4Å; N39-C47 VanDerWaalsContact O-CB 3.27Å; N39-C47 WeakPolarHBondContact O-CB 2.91Å; N39-C47 PolarHBondContact O-N 2.87Å; N39-C47 PolarHBondContact O-SG 3.41Å; N39-N89 WeakPolarHBondContact CB-O 3.26Å; N39-N89 PolarHBondContact ND2-ND2 3.37Å
40K96.5Very high93.9Very high89 Ų8950 Ų5039%0.38726%0.26SS..BIsolated β-bridgetrans-128.6142.9174.1-71.8-179.3179.4-740110.7K38 K45 D46K38-K40 WeakPolarHBondContact CE-O 3.16Å; K40-K45 CarbonylContact C-O 3.48Å; K40-K45 VanDerWaalsContact CA-O 3.26Å; K40-K45 WeakPolarHBondContact CA-O 3.48Å; K40-D46 WeakPolarHBondContact CE-OD1 2.9Å; K40-D46 IonicContact NZ-OD1 2.83Å; K40-D46 PolarHBondContact NZ-OD1 3.4Å; K40-D46 IonicContact NZ-OD2 3.26Å
41T94.7Very high94Very high6 Ų649.5 Ų49.54%0.03726%0.259CS..  trans-72.2168.7175.376.90000111Y43 G44 K45 V122 Q131 P132T41-Y43 PolarHBondContact O-N 2.04Å; T41-Y43 PolarHBondContact OG1-N 2.89Å; T41-G44 PolarHBondContact O-N 2.87Å; T41-K45 HydrophobicContact CG2-CB 4.19Å; T41-K45 PolarHBondContact N-O 2.02Å; T41-K45 PolarHBondContact OG1-N 3.38Å; T41-V122 HydrophobicContact CG2-CG1 3.45Å; T41-V122 VanDerWaalsContact CG2-CG1 3.45Å; T41-Q131 HydrophobicContact CG2-CB 3.56Å; T41-Q131 HydrophobicContact CG2-CG 4.46Å; T41-Q131 PolarHBondContact OG1-OE1 3.07Å; T41-Q131 VanDerWaalsContact OG1-OE1 3.1Å; T41-P132 WeakPolarHBondContact CA-O 3.28Å; T41-P132 WeakPolarHBondContact CB-O 3.43Å
42I92.6Very high94Very high29 Ų2950.4 Ų50.415%0.14926%0.257CS..THydrogen-bonded Turntrans-60.2-15.2172.164.4171000113.8P132 R135 F161I42-P132 HydrophobicContact CD1-CG 3.63Å; I42-P132 HydrophobicContact CG1-CG 3.95Å; I42-P132 PolarHBondContact N-O 3.29Å; I42-R135 HydrophobicContact CB-CG 4.49Å; I42-R135 HydrophobicContact CG2-CG 3.95Å; I42-F161 HydrophobicContact CD1-CB 4.49Å; I42-F161 HydrophobicContact CD1-CD1 4.28Å; I42-F161 HydrophobicContact CD1-CD2 3.13Å; I42-F161 HydrophobicContact CD1-CE1 4.4Å; I42-F161 HydrophobicContact CD1-CE2 3.29Å; I42-F161 HydrophobicContact CD1-CG 3.7Å; I42-F161 HydrophobicContact CD1-CZ 3.97Å
43Y90.9Very high93.9Very high112 Ų11250.4 Ų50.444%0.43926%0.256SS..THydrogen-bonded Turntrans-97.53.4177.2-53.4-67.6000112.3T41 K45 F161T41-Y43 PolarHBondContact O-N 2.04Å; T41-Y43 PolarHBondContact OG1-N 2.89Å; Y43-K45 VanDerWaalsContact C-N 3.33Å; Y43-F161 WeakPolarHBondContact OH-CB 3.33Å; Y43-F161 WeakPolarHBondContact OH-CD1 3.08Å; Y43-F161 WeakPolarHBondContact OH-CG 3.47Å
44G94.2Very high93.9Very high44 Ų4443.4 Ų43.445%0.45422%0.224SC..  trans80.76.8178.800000115.1T41T41-G44 PolarHBondContact O-N 2.87Å
45K95.8Very high93.7Very high65 Ų6545 Ų4528%0.28324%0.236SC..PPolyproline II helixtrans-74.4142176.5-66.3-171.4174.7-172.20111K40 T41 Y43 V122 D124K40-K45 CarbonylContact C-O 3.48Å; K40-K45 VanDerWaalsContact CA-O 3.26Å; K40-K45 WeakPolarHBondContact CA-O 3.48Å; T41-K45 HydrophobicContact CG2-CB 4.19Å; T41-K45 PolarHBondContact N-O 2.02Å; T41-K45 PolarHBondContact OG1-N 3.38Å; Y43-K45 VanDerWaalsContact C-N 3.33Å; K45-V122 HydrophobicContact CB-CB 4.46Å; K45-V122 HydrophobicContact CB-CG1 3.91Å; K45-V122 HydrophobicContact CD-CB 4.36Å; K45-V122 HydrophobicContact CD-CG2 4.04Å; K45-D124 IonicContact NZ-OD1 2.63Å; K45-D124 PolarHBondContact NZ-OD1 3.11Å; K45-D124 IonicContact NZ-OD2 3.54Å; K45-D124 PolarHBondContact NZ-OD2 3.35Å
46D96.9Very high93.7Very high106 Ų10643 Ų4357%0.56723%0.225SC*.BIsolated β-bridgetrans-73.5132.5176.6-66.5-52.7000111.3K40K40-D46 WeakPolarHBondContact CE-OD1 2.9Å; K40-D46 IonicContact NZ-OD1 2.83Å; K40-D46 PolarHBondContact NZ-OD1 3.4Å; K40-D46 IonicContact NZ-OD2 3.26Å
47C97.7Very high93.6Very high10 Ų1043 Ų437%0.06823%0.225CC..PPolyproline II helixtrans-70.9137.7177.4-64.60000111.4N39 N89 C120N39-C47 HydrophobicContact CB-CB 4.4Å; N39-C47 VanDerWaalsContact O-CB 3.27Å; N39-C47 WeakPolarHBondContact O-CB 2.91Å; N39-C47 PolarHBondContact O-N 2.87Å; N39-C47 PolarHBondContact O-SG 3.41Å; C47-N89 WeakPolarHBondContact CB-O 3.37Å; C47-C120 VanDerWaalsContact CA-SG 3.56Å; C47-C120 HydrophobicContact CB-CB 3.45Å; C47-C120 VanDerWaalsContact CB-CB 3.45Å; C47-C120 WeakPolarHBondContact CB-SG 3.23Å; C47-C120 WeakPolarHBondContact SG-CB 3.43Å; C47-C120 CovalentContact SG-SG 2.01Å; C47-C120 PolarHBondContact SG-SG 3.38Å
48L95.7Very high93.4Very high39 Ų3946.4 Ų46.420%0.20424%0.239CC..PPolyproline II helixtrans-69151169.1-65172000110.6W50 Y52 V53 F121 I128L48-W50 PolarHBondContact O-N 2.87Å; L48-Y52 HydrophobicContact CB-CD1 4.46Å; L48-Y52 HydrophobicContact CD1-CD1 4.38Å; L48-Y52 HydrophobicContact CD1-CE1 4.34Å; L48-Y52 HydrophobicContact CD2-CD1 4.38Å; L48-Y52 HydrophobicContact CD2-CE1 4.45Å; L48-V53 HydrophobicContact CB-CG2 4.03Å; L48-F121 WeakPolarHBondContact CB-O 3.39Å; L48-F121 HydrophobicContact CD1-CB 4.33Å; L48-F121 WeakPolarHBondContact CG-O 3.46Å; L48-F121 PolarHBondContact N-O 2.87Å; L48-I128 HydrophobicContact CD1-CD1 3.69Å; L48-I128 HydrophobicContact CD1-CG2 4.06Å
49S94.4Very high93.1Very high34 Ų3449.1 Ų49.124%0.23826%0.256CS..PPolyproline II helixtrans-60.9131.5169.9173.40000110.1T51 Y52 V53 H88S49-T51 VanDerWaalsContact C-N 3.25Å; S49-T51 PolarHBondContact O-N 3.37Å; S49-T51 PolarHBondContact OG-N 3.08Å; S49-Y52 WeakPolarHBondContact O-CA 2.96Å; S49-Y52 WeakPolarHBondContact O-CB 3.48Å; S49-Y52 PolarHBondContact O-N 2.86Å; S49-V53 WeakPolarHBondContact O-CG2 3.45Å; S49-V53 PolarHBondContact O-N 3.38Å; S49-H88 WeakPolarHBondContact CA-O 3.48Å
50W93.8Very high92.6Very high0 Ų048.8 Ų48.80%027%0.265CS..Hα-helixtrans-62-34.4176.1-73.999.2000112.1L48 Y52 V53 M54 F70 F82 H88 Q90 L92 I94 I119 F121L48-W50 PolarHBondContact O-N 2.87Å; W50-Y52 PolarHBondContact O-N 3.29Å; W50-V53 PolarHBondContact O-N 3.42Å; W50-M54 WeakPolarHBondContact O-CB 3.1Å; W50-M54 WeakPolarHBondContact O-CG 3.43Å; W50-M54 PolarHBondContact O-N 2.78Å; W50-F70 HydrophobicContact CZ3-CE1 4.22Å; W50-F70 HydrophobicContact CZ3-CZ 4.29Å; W50-F82 HydrophobicContact CB-CD1 4.03Å; W50-F82 HydrophobicContact CB-CE1 3.17Å; W50-F82 HydrophobicContact CB-CE2 4.16Å; W50-F82 HydrophobicContact CB-CZ 3.27Å; W50-F82 HydrophobicContact CD2-CZ 4.23Å; W50-F82 HydrophobicContact CG-CE1 4Å; W50-F82 HydrophobicContact CG-CE2 4.45Å; W50-F82 AromaticContact CG-CZ 3.62Å; W50-F82 HydrophobicContact CG-CZ 3.62Å; W50-H88 AromaticContact CD1-CG 4Å; W50-H88 AromaticContact CD1-ND1 3.21Å; W50-H88 PolarHBondContact N-O 3.46Å; W50-H88 AromaticContact NE1-ND1 3.64Å; W50-Q90 PolarHBondContact NE1-O 3.36Å; W50-L92 HydrophobicContact CD2-CD2 4.44Å; W50-L92 HydrophobicContact CH2-CB 4.14Å; W50-L92 HydrophobicContact CZ2-CB 3.43Å; W50-L92 VanDerWaalsContact CZ2-CB 3.43Å; W50-L92 HydrophobicContact CZ2-CD2 4.28Å; W50-I94 HydrophobicContact CH2-CD1 3.74Å; W50-I94 HydrophobicContact CH2-CG1 3.96Å; W50-I94 HydrophobicContact CZ3-CD1 3.83Å; W50-I94 HydrophobicContact CZ3-CG1 4.33Å; W50-I119 HydrophobicContact CH2-CG1 4.32Å; W50-I119 WeakPolarHBondContact CZ2-O 2.74Å; W50-F121 AromaticContact CH2-CD2 3.99Å; W50-F121 HydrophobicContact CH2-CD2 3.99Å; W50-F121 HydrophobicContact CH2-CE2 4.05Å; W50-F121 AromaticContact CZ3-CD2 3.83Å; W50-F121 HydrophobicContact CZ3-CD2 3.83Å; W50-F121 AromaticContact CZ3-CE2 3.8Å; W50-F121 HydrophobicContact CZ3-CE2 3.8Å
51T91.2Very high92.1Very high46 Ų4650.7 Ų50.728%0.28228%0.276SS..Hα-helixtrans-59.2-39.7173.6-63.70000111S49 S55 M86S49-T51 VanDerWaalsContact C-N 3.25Å; S49-T51 PolarHBondContact O-N 3.37Å; S49-T51 PolarHBondContact OG-N 3.08Å; T51-S55 PolarHBondContact O-N 3.37Å; T51-S55 VanDerWaalsContact O-N 3.08Å; T51-M86 PolarHBondContact OG1-N 3.07Å; T51-M86 VanDerWaalsContact OG1-N 3.07Å; T51-M86 PolarHBondContact OG1-O 3.05Å
52Y92.7Very high91.5Very high113 Ų11351.3 Ų51.344%0.44328%0.278SS..Hα-helixtrans-65.9-47.8174.1176.1-112.8000111.7L48 S49 W50 M54 S55 L56L48-Y52 HydrophobicContact CB-CD1 4.46Å; L48-Y52 HydrophobicContact CD1-CD1 4.38Å; L48-Y52 HydrophobicContact CD1-CE1 4.34Å; L48-Y52 HydrophobicContact CD2-CD1 4.38Å; L48-Y52 HydrophobicContact CD2-CE1 4.45Å; S49-Y52 WeakPolarHBondContact O-CA 2.96Å; S49-Y52 WeakPolarHBondContact O-CB 3.48Å; S49-Y52 PolarHBondContact O-N 2.86Å; W50-Y52 PolarHBondContact O-N 3.29Å; Y52-M54 VanDerWaalsContact C-N 3.32Å; Y52-M54 PolarHBondContact O-N 3.38Å; Y52-S55 WeakPolarHBondContact O-CB 3.24Å; Y52-S55 PolarHBondContact O-N 2.83Å; Y52-S55 VanDerWaalsContact O-N 3.08Å; Y52-S55 PolarHBondContact O-OG 3.26Å; Y52-L56 HydrophobicContact CD1-CD1 4.2Å; Y52-L56 HydrophobicContact CE1-CD1 3.71Å; Y52-L56 HydrophobicContact CE1-CG 4.37Å; Y52-L56 HydrophobicContact CE2-CD2 4.28Å; Y52-L56 HydrophobicContact CE2-CG 4.36Å; Y52-L56 PolarHBondContact O-N 3.21Å; Y52-L56 VanDerWaalsContact O-N 3.11Å
53V93Very high90.8Very high0 Ų053.5 Ų53.50%029%0.29CS..Hα-helixtrans-57-44.1176.7176.20000112L48 S49 W50 S55 L56 A57 M62 F70 F121L48-V53 HydrophobicContact CB-CG2 4.03Å; S49-V53 WeakPolarHBondContact O-CG2 3.45Å; S49-V53 PolarHBondContact O-N 3.38Å; W50-V53 PolarHBondContact O-N 3.42Å; V53-S55 VanDerWaalsContact C-N 3.31Å; V53-S55 PolarHBondContact O-N 3.41Å; V53-L56 WeakPolarHBondContact O-CB 3.37Å; V53-L56 PolarHBondContact O-N 2.69Å; V53-A57 PolarHBondContact O-N 2.89Å; V53-A57 VanDerWaalsContact O-N 3.1Å; V53-M62 HydrophobicContact CG1-CE 3.78Å; V53-F70 HydrophobicContact CG1-CE2 3.96Å; V53-F70 HydrophobicContact CG1-CZ 4.05Å; V53-F121 HydrophobicContact CG1-CB 4.43Å; V53-F121 HydrophobicContact CG1-CD1 4.36Å; V53-F121 HydrophobicContact CG1-CD2 3.76Å; V53-F121 HydrophobicContact CG1-CE2 4.1Å; V53-F121 HydrophobicContact CG1-CG 3.91Å; V53-F121 HydrophobicContact CG1-CZ 4.49Å; V53-F121 HydrophobicContact CG2-CB 3.67Å; V53-F121 HydrophobicContact CG2-CD2 4.28Å; V53-F121 HydrophobicContact CG2-CG 4.06Å
54M91.3Very high90.3Very high5 Ų554.9 Ų54.93%0.02530%0.296CS..Hα-helixtrans-63.6-38.2177.3-67.3-64.8-67.900111.2W50 Y52 A57 M58 F70 L78 F82W50-M54 WeakPolarHBondContact O-CB 3.1Å; W50-M54 WeakPolarHBondContact O-CG 3.43Å; W50-M54 PolarHBondContact O-N 2.78Å; Y52-M54 VanDerWaalsContact C-N 3.32Å; Y52-M54 PolarHBondContact O-N 3.38Å; M54-A57 WeakPolarHBondContact O-CB 3.41Å; M54-A57 PolarHBondContact O-N 3Å; M54-M58 WeakPolarHBondContact O-CG 3.26Å; M54-M58 PolarHBondContact O-N 3.4Å; M54-F70 HydrophobicContact CE-CB 4.02Å; M54-F70 HydrophobicContact CE-CD1 4.46Å; M54-F70 WeakPolarHBondContact CE-O 3.35Å; M54-F70 HydrophobicContact SD-CB 3.82Å; M54-F70 HydrophobicContact SD-CD1 3.47Å; M54-F70 WeakPolarHBondContact SD-CD1 3.4Å; M54-F70 HydrophobicContact SD-CE1 4.19Å; M54-F70 HydrophobicContact SD-CG 3.77Å; M54-L78 HydrophobicContact CE-CB 4.36Å; M54-F82 HydrophobicContact CE-CB 4.12Å; M54-F82 HydrophobicContact CG-CB 3.85Å; M54-F82 HydrophobicContact CG-CD1 4.43Å; M54-F82 HydrophobicContact CG-CD2 4.12Å; M54-F82 HydrophobicContact CG-CG 3.88Å; M54-F82 HydrophobicContact SD-CD2 4.28Å
55S91.4Very high89.5Confident43 Ų4354.1 Ų54.130%0.30128%0.28SS..Hα-helixtrans-63.5-41.9176.878.60000112.6T51 Y52 V53 A57 M58 N59T51-S55 PolarHBondContact O-N 3.37Å; T51-S55 VanDerWaalsContact O-N 3.08Å; Y52-S55 WeakPolarHBondContact O-CB 3.24Å; Y52-S55 PolarHBondContact O-N 2.83Å; Y52-S55 VanDerWaalsContact O-N 3.08Å; Y52-S55 PolarHBondContact O-OG 3.26Å; V53-S55 VanDerWaalsContact C-N 3.31Å; V53-S55 PolarHBondContact O-N 3.41Å; S55-A57 VanDerWaalsContact C-N 3.31Å; S55-A57 PolarHBondContact O-N 3.3Å; S55-M58 PolarHBondContact O-N 3.38Å; S55-N59 VanDerWaalsContact O-CG 3.29Å; S55-N59 PolarHBondContact O-N 2.83Å
56L91.2Very high89.1Confident9 Ų951.6 Ų51.65%0.04727%0.269CS..Hα-helixtrans-60.5-41.4173.4-64.5173.6000111.6Y52 V53 N59 G60 E61 M62 I128Y52-L56 HydrophobicContact CD1-CD1 4.2Å; Y52-L56 HydrophobicContact CE1-CD1 3.71Å; Y52-L56 HydrophobicContact CE1-CG 4.37Å; Y52-L56 HydrophobicContact CE2-CD2 4.28Å; Y52-L56 HydrophobicContact CE2-CG 4.36Å; Y52-L56 PolarHBondContact O-N 3.21Å; Y52-L56 VanDerWaalsContact O-N 3.11Å; V53-L56 WeakPolarHBondContact O-CB 3.37Å; V53-L56 PolarHBondContact O-N 2.69Å; L56-N59 PolarHBondContact O-N 3.26Å; L56-G60 PolarHBondContact O-N 3.12Å; L56-E61 HydrophobicContact CB-CB 4.31Å; L56-E61 HydrophobicContact CD2-CB 4.34Å; L56-E61 WeakPolarHBondContact CD2-OE2 3.44Å; L56-E61 WeakPolarHBondContact O-CB 3.23Å; L56-E61 PolarHBondContact O-N 3.26Å; L56-M62 HydrophobicContact CB-CE 3.76Å; L56-M62 HydrophobicContact CB-CG 4.27Å; L56-M62 HydrophobicContact CD1-CE 3.81Å; L56-M62 HydrophobicContact CG-CE 4.47Å; L56-I128 HydrophobicContact CD1-CB 4.48Å; L56-I128 HydrophobicContact CD1-CD1 4.35Å; L56-I128 HydrophobicContact CD1-CG1 3.87Å; L56-I128 HydrophobicContact CD1-CG2 4.21Å
57A88.7Confident88.6Confident1 Ų150.9 Ų50.91%0.00826%0.261CS..Hα-helixtrans-60.7-47.5175.100000111.1V53 M54 S55 N59 G60 M62 F70 Q71V53-A57 PolarHBondContact O-N 2.89Å; V53-A57 VanDerWaalsContact O-N 3.1Å; M54-A57 WeakPolarHBondContact O-CB 3.41Å; M54-A57 PolarHBondContact O-N 3Å; S55-A57 VanDerWaalsContact C-N 3.31Å; S55-A57 PolarHBondContact O-N 3.3Å; A57-N59 VanDerWaalsContact C-N 3.31Å; A57-N59 PolarHBondContact O-N 3.17Å; A57-G60 PolarHBondContact O-N 2.84Å; A57-G60 VanDerWaalsContact O-N 3.07Å; A57-M62 HydrophobicContact CB-CB 4.31Å; A57-M62 HydrophobicContact CB-CG 3.91Å; A57-F70 HydrophobicContact CB-CB 3.67Å; A57-F70 HydrophobicContact CB-CD2 3.63Å; A57-F70 HydrophobicContact CB-CG 4.07Å; A57-Q71 PolarHBondContact O-NE2 3.07Å
58M87.4Confident88.1Confident115 Ų11555.6 Ų55.657%0.56728%0.277SS*.Hα-helixtrans-60.8-36.5178.3-69.8178.9-176.100113M54 S55 G60M54-M58 WeakPolarHBondContact O-CG 3.26Å; M54-M58 PolarHBondContact O-N 3.4Å; S55-M58 PolarHBondContact O-N 3.38Å; M58-G60 PolarHBondContact O-N 3.46Å
59N89.8Confident87.8Confident113 Ų11353.8 Ų53.860%0.60427%0.268SS*.THydrogen-bonded Turntrans-75.4-6.1176.4-67.4-11.2000113.9S55 L56 A57 E61S55-N59 VanDerWaalsContact O-CG 3.29Å; S55-N59 PolarHBondContact O-N 2.83Å; L56-N59 PolarHBondContact O-N 3.26Å; A57-N59 VanDerWaalsContact C-N 3.31Å; A57-N59 PolarHBondContact O-N 3.17Å; N59-E61 HydrophobicContact CB-CG 4.02Å; N59-E61 WeakPolarHBondContact CB-OE1 3.43Å; N59-E61 PolarHBondContact ND2-OE1 3.48Å
60G85.2Confident87.6Confident45 Ų4552.2 Ų52.246%0.46426%0.256SS..THydrogen-bonded Turntrans77.819.7-177.800000114.1L56 A57 M58 M62L56-G60 PolarHBondContact O-N 3.12Å; A57-G60 PolarHBondContact O-N 2.84Å; A57-G60 VanDerWaalsContact O-N 3.07Å; M58-G60 PolarHBondContact O-N 3.46Å; G60-M62 VanDerWaalsContact C-N 3.33Å
61E85.7Confident87.4Confident130 Ų13055.9 Ų55.961%0.60727%0.274SS*.  trans-87.9-5.4179-61.2178.5-125.500112.6L56 N59L56-E61 HydrophobicContact CB-CB 4.31Å; L56-E61 HydrophobicContact CD2-CB 4.34Å; L56-E61 WeakPolarHBondContact CD2-OE2 3.44Å; L56-E61 WeakPolarHBondContact O-CB 3.23Å; L56-E61 PolarHBondContact O-N 3.26Å; N59-E61 HydrophobicContact CB-CG 4.02Å; N59-E61 WeakPolarHBondContact CB-OE1 3.43Å; N59-E61 PolarHBondContact ND2-OE1 3.48Å
62M82.6Confident87.3Confident19 Ų1955.1 Ų55.19%0.09427%0.268CS..SBendtrans-95.5152.7174.1-70.7-75.9175.800111.3V53 L56 A57 G60 W66 I128V53-M62 HydrophobicContact CG1-CE 3.78Å; L56-M62 HydrophobicContact CB-CE 3.76Å; L56-M62 HydrophobicContact CB-CG 4.27Å; L56-M62 HydrophobicContact CD1-CE 3.81Å; L56-M62 HydrophobicContact CG-CE 4.47Å; A57-M62 HydrophobicContact CB-CB 4.31Å; A57-M62 HydrophobicContact CB-CG 3.91Å; G60-M62 VanDerWaalsContact C-N 3.33Å; M62-W66 HydrophobicContact CB-CB 4.1Å; M62-W66 HydrophobicContact SD-CB 4.49Å; M62-I128 HydrophobicContact CE-CB 4.18Å; M62-I128 HydrophobicContact CE-CG2 3.5Å; M62-I128 VanDerWaalsContact CE-CG2 3.5Å; M62-I128 HydrophobicContact SD-CG2 4.47Å
63N78.2Confident87.2Confident75 Ų7553 Ų5340%0.40127%0.266SS..  trans-59.3159.9171.972.223.6000111.6Q65 W66 K67N63-Q65 VanDerWaalsContact CB-OE1 3.28Å; N63-Q65 PolarHBondContact O-N 3.3Å; N63-Q65 VanDerWaalsContact O-N 3.11Å; N63-Q65 PolarHBondContact OD1-N 2.89Å; N63-Q65 PolarHBondContact OD1-OE1 3.42Å; N63-Q65 VanDerWaalsContact OD1-OE1 3.09Å; N63-W66 PolarHBondContact O-N 3.4Å; N63-W66 WeakPolarHBondContact OD1-CB 3.47Å; N63-W66 PolarHBondContact OD1-N 2.98Å; N63-K67 WeakPolarHBondContact O-CB 3.41Å; N63-K67 PolarHBondContact O-N 3.27Å
64Y79.1Confident87.1Confident141 Ų14162.2 Ų62.255%0.55330%0.302SS*.Hα-helixtrans-58.5-31-172.475.8-93.2000112.8W68 P108Y64-W68 PolarHBondContact O-N 3.13Å; Y64-P108 HydrophobicContact CE2-CG 4.49Å; Y64-P108 PolarHBondContact OH-O 2.99Å
65Q79Confident86.9Confident27 Ų2762.1 Ų62.113%0.12630%0.301CS..Hα-helixtrans-66.5-53.4-178.7-55.889-41.200111.2N63 K67 W68 I69 P108 G109 I110N63-Q65 VanDerWaalsContact CB-OE1 3.28Å; N63-Q65 PolarHBondContact O-N 3.3Å; N63-Q65 VanDerWaalsContact O-N 3.11Å; N63-Q65 PolarHBondContact OD1-N 2.89Å; N63-Q65 PolarHBondContact OD1-OE1 3.42Å; N63-Q65 VanDerWaalsContact OD1-OE1 3.09Å; Q65-K67 VanDerWaalsContact C-N 3.3Å; Q65-K67 PolarHBondContact O-N 2.96Å; Q65-W68 PolarHBondContact O-N 3.36Å; Q65-I69 PolarHBondContact O-N 2.51Å; Q65-P108 WeakPolarHBondContact CG-O 3.16Å; Q65-G109 PolarHBondContact NE2-O 2.04Å; Q65-I110 HydrophobicContact CB-CD1 4Å; Q65-I110 HydrophobicContact CB-CG1 3.6Å; Q65-I110 HydrophobicContact CG-CG1 4Å
66W87Confident87Confident12 Ų1260 Ų605%0.04529%0.287CS..Hα-helixtrans-65.8-36.4177.6-74.2123.4000111.5M62 N63 W68 I69 F70 I94 I114 L115 I119 F121 P130M62-W66 HydrophobicContact CB-CB 4.1Å; M62-W66 HydrophobicContact SD-CB 4.49Å; N63-W66 PolarHBondContact O-N 3.4Å; N63-W66 WeakPolarHBondContact OD1-CB 3.47Å; N63-W66 PolarHBondContact OD1-N 2.98Å; W66-W68 VanDerWaalsContact C-N 3.31Å; W66-W68 PolarHBondContact O-N 2.88Å; W66-I69 HydrophobicContact CE3-CD1 4.15Å; W66-I69 HydrophobicContact CZ3-CD1 4.06Å; W66-I69 PolarHBondContact O-N 2.8Å; W66-F70 HydrophobicContact CB-CD2 3.92Å; W66-F70 HydrophobicContact CB-CE2 3.75Å; W66-F70 HydrophobicContact CD2-CE2 4.05Å; W66-F70 HydrophobicContact CD2-CZ 4.24Å; W66-F70 HydrophobicContact CE3-CD2 4.46Å; W66-F70 HydrophobicContact CE3-CE1 4.18Å; W66-F70 AromaticContact CE3-CE2 3.65Å; W66-F70 HydrophobicContact CE3-CE2 3.65Å; W66-F70 AromaticContact CE3-CZ 3.47Å; W66-F70 HydrophobicContact CE3-CZ 3.47Å; W66-F70 VanDerWaalsContact CE3-CZ 3.47Å; W66-F70 HydrophobicContact CG-CE2 4.11Å; W66-F70 HydrophobicContact CZ3-CE1 4.5Å; W66-F70 AromaticContact CZ3-CZ 3.98Å; W66-F70 HydrophobicContact CZ3-CZ 3.98Å; W66-F70 WeakPolarHBondContact O-CB 3.34Å; W66-F70 WeakPolarHBondContact O-CD2 3.38Å; W66-F70 VanDerWaalsContact O-CG 3.29Å; W66-F70 WeakPolarHBondContact O-CG 3.18Å; W66-F70 PolarHBondContact O-N 2.81Å; W66-I94 HydrophobicContact CH2-CD1 4.06Å; W66-I94 HydrophobicContact CZ3-CD1 3.55Å; W66-I114 HydrophobicContact CZ2-CG2 4.35Å; W66-L115 HydrophobicContact CH2-CD2 4.26Å; W66-I119 HydrophobicContact CH2-CD1 3.94Å; W66-F121 HydrophobicContact CD2-CE1 4.22Å; W66-F121 AromaticContact CD2-CZ 3.64Å; W66-F121 HydrophobicContact CD2-CZ 3.64Å; W66-F121 AromaticContact CE2-CZ 3.62Å; W66-F121 AromaticContact CE3-CZ 3.79Å; W66-F121 HydrophobicContact CE3-CZ 3.79Å; W66-F121 HydrophobicContact CG-CE1 4.46Å; W66-F121 HydrophobicContact CG-CZ 4.26Å; W66-F121 HydrophobicContact CH2-CE2 4.48Å; W66-F121 AromaticContact CH2-CZ 3.96Å; W66-F121 HydrophobicContact CH2-CZ 3.96Å; W66-F121 HydrophobicContact CZ2-CE1 4.45Å; W66-F121 AromaticContact CZ2-CZ 3.82Å; W66-F121 HydrophobicContact CZ2-CZ 3.82Å; W66-F121 HydrophobicContact CZ3-CE2 4.39Å; W66-F121 AromaticContact CZ3-CZ 3.94Å; W66-F121 HydrophobicContact CZ3-CZ 3.94Å; W66-P130 HydrophobicContact CH2-CB 4.41Å; W66-P130 HydrophobicContact CZ2-CB 3.82Å; W66-P130 HydrophobicContact CZ2-CG 3.67Å
67K86.6Confident87.1Confident91 Ų9160.8 Ų60.840%0.39629%0.294SS..Hα-helixtrans-54.7-47.1174.6-174-178.9177.3175.40111.8N63 Q65 F70 Q71N63-K67 WeakPolarHBondContact O-CB 3.41Å; N63-K67 PolarHBondContact O-N 3.27Å; Q65-K67 VanDerWaalsContact C-N 3.3Å; Q65-K67 PolarHBondContact O-N 2.96Å; K67-F70 PolarHBondContact O-N 3.08Å; K67-Q71 VanDerWaalsContact CG-CD 3.44Å; K67-Q71 HydrophobicContact CG-CG 4.16Å; K67-Q71 WeakPolarHBondContact O-CB 3.46Å; K67-Q71 VanDerWaalsContact O-CG 3.28Å; K67-Q71 WeakPolarHBondContact O-CG 2.87Å; K67-Q71 PolarHBondContact O-N 3.2Å
68W86.2Confident87.3Confident109 Ų10960.7 Ų60.741%0.41329%0.294SS..Hα-helixtrans-63.6-45.6179.3177.560000112.2Y64 Q65 W66 F70 D72 A75 F107Y64-W68 PolarHBondContact O-N 3.13Å; Q65-W68 PolarHBondContact O-N 3.36Å; W66-W68 VanDerWaalsContact C-N 3.31Å; W66-W68 PolarHBondContact O-N 2.88Å; W68-F70 VanDerWaalsContact C-N 3.35Å; W68-F70 PolarHBondContact O-N 2.87Å; W68-D72 WeakPolarHBondContact O-CB 3.22Å; W68-D72 PolarHBondContact O-N 2.99Å; W68-D72 VanDerWaalsContact O-N 3.08Å; W68-A75 HydrophobicContact CD2-CB 3.73Å; W68-A75 HydrophobicContact CE3-CB 4.17Å; W68-A75 HydrophobicContact CG-CB 4.21Å; W68-A75 HydrophobicContact CH2-CB 3.97Å; W68-A75 HydrophobicContact CZ2-CB 3.54Å; W68-A75 HydrophobicContact CZ3-CB 4.26Å; W68-A75 WeakPolarHBondContact O-CB 3.39Å; W68-F107 HydrophobicContact CE3-CD1 4.44Å; W68-F107 AromaticContact CH2-CD1 3.94Å; W68-F107 HydrophobicContact CH2-CD1 3.94Å; W68-F107 AromaticContact CH2-CE1 3.39Å; W68-F107 HydrophobicContact CH2-CE1 3.39Å; W68-F107 HydrophobicContact CH2-CZ 4.16Å; W68-F107 AromaticContact CZ3-CD1 3.4Å; W68-F107 HydrophobicContact CZ3-CD1 3.4Å; W68-F107 AromaticContact CZ3-CE1 3.26Å; W68-F107 HydrophobicContact CZ3-CE1 3.26Å; W68-F107 HydrophobicContact CZ3-CG 4.33Å; W68-F107 HydrophobicContact CZ3-CZ 4.03Å
69I89.2Confident87.5Confident1 Ų156.1 Ų56.11%0.00527%0.273CS..Hα-helixtrans-60.9-41.9177-68.9176.2000111.7Q65 W66 S76 L78 I94 I98 I110Q65-I69 PolarHBondContact O-N 2.51Å; W66-I69 HydrophobicContact CE3-CD1 4.15Å; W66-I69 HydrophobicContact CZ3-CD1 4.06Å; W66-I69 PolarHBondContact O-N 2.8Å; I69-S76 PolarHBondContact O-OG 3Å; I69-L78 HydrophobicContact CG2-CD1 3.57Å; I69-I94 HydrophobicContact CG2-CG2 4.04Å; I69-I98 HydrophobicContact CD1-CD1 4.36Å; I69-I110 HydrophobicContact CD1-CD1 3.41Å; I69-I110 VanDerWaalsContact CD1-CD1 3.41Å
70F91.4Very high87.5Confident1 Ų156.2 Ų56.20%0.00427%0.269CS..Hα-helixtrans-88.1-15.1-173.2-64.2-39000115.1W50 V53 M54 A57 W66 K67 W68 L78 P79 I94 F121W50-F70 HydrophobicContact CZ3-CE1 4.22Å; W50-F70 HydrophobicContact CZ3-CZ 4.29Å; V53-F70 HydrophobicContact CG1-CE2 3.96Å; V53-F70 HydrophobicContact CG1-CZ 4.05Å; M54-F70 HydrophobicContact CE-CB 4.02Å; M54-F70 HydrophobicContact CE-CD1 4.46Å; M54-F70 WeakPolarHBondContact CE-O 3.35Å; M54-F70 HydrophobicContact SD-CB 3.82Å; M54-F70 HydrophobicContact SD-CD1 3.47Å; M54-F70 WeakPolarHBondContact SD-CD1 3.4Å; M54-F70 HydrophobicContact SD-CE1 4.19Å; M54-F70 HydrophobicContact SD-CG 3.77Å; A57-F70 HydrophobicContact CB-CB 3.67Å; A57-F70 HydrophobicContact CB-CD2 3.63Å; A57-F70 HydrophobicContact CB-CG 4.07Å; W66-F70 HydrophobicContact CB-CD2 3.92Å; W66-F70 HydrophobicContact CB-CE2 3.75Å; W66-F70 HydrophobicContact CD2-CE2 4.05Å; W66-F70 HydrophobicContact CD2-CZ 4.24Å; W66-F70 HydrophobicContact CE3-CD2 4.46Å; W66-F70 HydrophobicContact CE3-CE1 4.18Å; W66-F70 AromaticContact CE3-CE2 3.65Å; W66-F70 HydrophobicContact CE3-CE2 3.65Å; W66-F70 AromaticContact CE3-CZ 3.47Å; W66-F70 HydrophobicContact CE3-CZ 3.47Å; W66-F70 VanDerWaalsContact CE3-CZ 3.47Å; W66-F70 HydrophobicContact CG-CE2 4.11Å; W66-F70 HydrophobicContact CZ3-CE1 4.5Å; W66-F70 AromaticContact CZ3-CZ 3.98Å; W66-F70 HydrophobicContact CZ3-CZ 3.98Å; W66-F70 WeakPolarHBondContact O-CB 3.34Å; W66-F70 WeakPolarHBondContact O-CD2 3.38Å; W66-F70 VanDerWaalsContact O-CG 3.29Å; W66-F70 WeakPolarHBondContact O-CG 3.18Å; W66-F70 PolarHBondContact O-N 2.81Å; K67-F70 PolarHBondContact O-N 3.08Å; W68-F70 VanDerWaalsContact C-N 3.35Å; W68-F70 PolarHBondContact O-N 2.87Å; F70-L78 HydrophobicContact CD1-CB 4.41Å; F70-L78 HydrophobicContact CD1-CD1 3.8Å; F70-L78 HydrophobicContact CE1-CD1 3.79Å; F70-P79 WeakPolarHBondContact O-CG 3.21Å; F70-I94 HydrophobicContact CE1-CD1 4.07Å; F70-I94 HydrophobicContact CZ-CD1 4.28Å; F70-F121 HydrophobicContact CE2-CE2 4.28Å; F70-F121 AromaticContact CE2-CZ 3.95Å; F70-F121 HydrophobicContact CE2-CZ 3.95Å; F70-F121 AromaticContact CZ-CE2 3.63Å; F70-F121 HydrophobicContact CZ-CE2 3.63Å; F70-F121 AromaticContact CZ-CZ 3.68Å; F70-F121 HydrophobicContact CZ-CZ 3.68Å
71Q89.5Confident87.7Confident78 Ų7856.3 Ų56.336%0.36426%0.259SS..Hα-helixtrans-114.4-29.6-176.9-61.3-174.1-6.600114.2A57 K67A57-Q71 PolarHBondContact O-NE2 3.07Å; K67-Q71 VanDerWaalsContact CG-CD 3.44Å; K67-Q71 HydrophobicContact CG-CG 4.16Å; K67-Q71 WeakPolarHBondContact O-CB 3.46Å; K67-Q71 VanDerWaalsContact O-CG 3.28Å; K67-Q71 WeakPolarHBondContact O-CG 2.87Å; K67-Q71 PolarHBondContact O-N 3.2Å
72D89.1Confident87.9Confident30 Ų3050.8 Ų50.816%0.1623%0.233CC..  trans-95.9113.6-174.5-165.3-26.4000110.9W68 R74 A75 S76W68-D72 WeakPolarHBondContact O-CB 3.22Å; W68-D72 PolarHBondContact O-N 2.99Å; W68-D72 VanDerWaalsContact O-N 3.08Å; D72-R74 PolarHBondContact O-N 2.89Å; D72-R74 VanDerWaalsContact O-N 3.15Å; D72-R74 WeakPolarHBondContact OD1-CB 3.4Å; D72-R74 WeakPolarHBondContact OD1-CG 3.22Å; D72-R74 IonicContact OD1-CZ 3.53Å; D72-R74 PolarHBondContact OD1-N 3.03Å; D72-R74 IonicContact OD1-NE 3.59Å; D72-R74 PolarHBondContact OD1-NE 3.2Å; D72-R74 IonicContact OD1-NH2 2.69Å; D72-R74 IonicContact OD2-CZ 3.81Å; D72-R74 IonicContact OD2-NE 2.95Å; D72-R74 PolarHBondContact OD2-NE 3.1Å; D72-R74 IonicContact OD2-NH2 3.78Å; D72-R74 PolarHBondContact OD2-NH2 2.63Å; D72-A75 HydrophobicContact CB-CB 4Å; D72-A75 VanDerWaalsContact O-CB 3.31Å; D72-A75 WeakPolarHBondContact O-CB 3.11Å; D72-A75 PolarHBondContact O-N 2.84Å; D72-S76 PolarHBondContact O-N 3.38Å
73T90.6Very high88.1Confident67 Ų6753.8 Ų53.841%0.41126%0.256SS..THydrogen-bonded Turntrans-64.5-16.1177.954.20000113.3P79 E80T73-P79 HydrophobicContact CG2-CB 3.96Å; T73-P79 HydrophobicContact CG2-CG 4.17Å; T73-E80 HydrophobicContact CG2-CG 3.96Å
74R89.2Confident88.3Confident195 Ų19555 Ų5574%0.73626%0.258SS*.THydrogen-bonded Turntrans-79.8-22.7171.9-53.8170.9-65.3175.72.9112D72D72-R74 PolarHBondContact O-N 2.89Å; D72-R74 VanDerWaalsContact O-N 3.15Å; D72-R74 WeakPolarHBondContact OD1-CB 3.4Å; D72-R74 WeakPolarHBondContact OD1-CG 3.22Å; D72-R74 IonicContact OD1-CZ 3.53Å; D72-R74 PolarHBondContact OD1-N 3.03Å; D72-R74 IonicContact OD1-NE 3.59Å; D72-R74 PolarHBondContact OD1-NE 3.2Å; D72-R74 IonicContact OD1-NH2 2.69Å; D72-R74 IonicContact OD2-CZ 3.81Å; D72-R74 IonicContact OD2-NE 2.95Å; D72-R74 PolarHBondContact OD2-NE 3.1Å; D72-R74 IonicContact OD2-NH2 3.78Å; D72-R74 PolarHBondContact OD2-NH2 2.63Å
75A88.7Confident88.4Confident2 Ų251.7 Ų51.72%0.01725%0.253CS..THydrogen-bonded Turntrans-83.4-47.2178.400000111.2W68 D72 K99W68-A75 HydrophobicContact CD2-CB 3.73Å; W68-A75 HydrophobicContact CE3-CB 4.17Å; W68-A75 HydrophobicContact CG-CB 4.21Å; W68-A75 HydrophobicContact CH2-CB 3.97Å; W68-A75 HydrophobicContact CZ2-CB 3.54Å; W68-A75 HydrophobicContact CZ3-CB 4.26Å; W68-A75 WeakPolarHBondContact O-CB 3.39Å; D72-A75 HydrophobicContact CB-CB 4Å; D72-A75 VanDerWaalsContact O-CB 3.31Å; D72-A75 WeakPolarHBondContact O-CB 3.11Å; D72-A75 PolarHBondContact O-N 2.84Å; A75-K99 PolarHBondContact O-N 3.17Å
76S92.5Very high88.6Confident0 Ų050.5 Ų50.50%025%0.248CC..BIsolated β-bridgetrans-151.6166.8-177.287.50000113.1I69 D72 L78 P79 L97I69-S76 PolarHBondContact O-OG 3Å; D72-S76 PolarHBondContact O-N 3.38Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 VanDerWaalsContact OG-CB 3.31Å; S76-L78 WeakPolarHBondContact OG-CB 3.49Å; S76-L78 PolarHBondContact OG-N 3.06Å; S76-L78 VanDerWaalsContact OG-N 3.1Å; S76-P79 WeakPolarHBondContact O-CD 3.44Å; S76-L97 CarbonylContact C-O 3.43Å; S76-L97 WeakPolarHBondContact CA-O 3.49Å; S76-L97 VanDerWaalsContact CB-O 3.31Å; S76-L97 WeakPolarHBondContact CB-O 3.22Å
77A93.2Very high88.5Confident24 Ų2455.6 Ų55.620%0.19827%0.272CS..SBendtrans-79.7-4.6171.700000113.7E80 L81 L97A77-E80 PolarHBondContact O-N 3.34Å; A77-L81 WeakPolarHBondContact O-CB 3.21Å; A77-L81 PolarHBondContact O-N 3.1Å; A77-L97 HydrophobicContact CB-CD2 4.47Å; A77-L97 PolarHBondContact N-O 3.47Å
78L92.7Very high88.5Confident0 Ų051.9 Ų51.90%026%0.256CS..Hα-helixtrans-59.9-43-176.6-70.9159.5000114.3M54 I69 F70 S76 E80 L81 F82 L92 I94 L97M54-L78 HydrophobicContact CE-CB 4.36Å; I69-L78 HydrophobicContact CG2-CD1 3.57Å; F70-L78 HydrophobicContact CD1-CB 4.41Å; F70-L78 HydrophobicContact CD1-CD1 3.8Å; F70-L78 HydrophobicContact CE1-CD1 3.79Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 VanDerWaalsContact OG-CB 3.31Å; S76-L78 WeakPolarHBondContact OG-CB 3.49Å; S76-L78 PolarHBondContact OG-N 3.06Å; S76-L78 VanDerWaalsContact OG-N 3.1Å; L78-E80 VanDerWaalsContact C-N 3.26Å; L78-E80 PolarHBondContact O-N 2.81Å; L78-L81 PolarHBondContact O-N 2.96Å; L78-F82 HydrophobicContact CD2-CD2 3.97Å; L78-F82 HydrophobicContact CD2-CE2 3.61Å; L78-F82 WeakPolarHBondContact O-CD2 3.15Å; L78-F82 PolarHBondContact O-N 3.2Å; L78-L92 HydrophobicContact CD2-CD2 3.67Å; L78-I94 HydrophobicContact CD1-CD1 4.38Å; L78-I94 HydrophobicContact CD1-CG1 4.3Å; L78-I94 HydrophobicContact CD1-CG2 3.95Å; L78-L97 HydrophobicContact CD2-CD1 3.53Å; L78-L97 HydrophobicContact CG-CB 4.34Å; L78-L97 HydrophobicContact CG-CD1 3.94Å
79P92Very high88.9Confident19 Ų1949.2 Ų49.212%0.12325%0.25CC..Hα-helixtrans-60.2-37.9178.7-16.225.4000112.3F70 T73 S76 S83F70-P79 WeakPolarHBondContact O-CG 3.21Å; T73-P79 HydrophobicContact CG2-CB 3.96Å; T73-P79 HydrophobicContact CG2-CG 4.17Å; S76-P79 WeakPolarHBondContact O-CD 3.44Å; P79-S83 PolarHBondContact O-N 3.26Å; P79-S83 VanDerWaalsContact O-N 3.13Å
80E90.5Very high89.1Confident114 Ų11450.1 Ų50.153%0.53325%0.254SS..Hα-helixtrans-73.5-44.4177.8-68.2175.6-176.900111.3T73 A77 L78 F82 S83T73-E80 HydrophobicContact CG2-CG 3.96Å; A77-E80 PolarHBondContact O-N 3.34Å; L78-E80 VanDerWaalsContact C-N 3.26Å; L78-E80 PolarHBondContact O-N 2.81Å; E80-F82 VanDerWaalsContact C-N 3.32Å; E80-F82 PolarHBondContact O-N 3.06Å; E80-S83 VanDerWaalsContact O-CB 3.28Å; E80-S83 WeakPolarHBondContact O-CB 3.41Å; E80-S83 PolarHBondContact O-N 2.93Å; E80-S83 PolarHBondContact O-OG 2.78Å
81L89.2Confident89.4Confident48 Ų4850.1 Ų50.125%0.25125%0.254SS..Hα-helixtrans-57.8-45.3179.8-177.260000111.5M1 R9 A77 L78 M86 L97M1-L81 HydrophobicContact CE-CD1 4.09Å; R9-L81 PolarHBondContact NH2-O 3.15Å; A77-L81 WeakPolarHBondContact O-CB 3.21Å; A77-L81 PolarHBondContact O-N 3.1Å; L78-L81 PolarHBondContact O-N 2.96Å; L81-M86 HydrophobicContact CG-CE 4.49Å; L81-L97 HydrophobicContact CD2-CD1 4.14Å
82F89.7Confident89.6Confident13 Ų1347.2 Ų47.26%0.05724%0.241CC..THydrogen-bonded Turntrans-96.615-179-68.3-80.6000114.3W50 M54 L78 E80 K84 M86 H88 L92W50-F82 HydrophobicContact CB-CD1 4.03Å; W50-F82 HydrophobicContact CB-CE1 3.17Å; W50-F82 HydrophobicContact CB-CE2 4.16Å; W50-F82 HydrophobicContact CB-CZ 3.27Å; W50-F82 HydrophobicContact CD2-CZ 4.23Å; W50-F82 HydrophobicContact CG-CE1 4Å; W50-F82 HydrophobicContact CG-CE2 4.45Å; W50-F82 AromaticContact CG-CZ 3.62Å; W50-F82 HydrophobicContact CG-CZ 3.62Å; M54-F82 HydrophobicContact CE-CB 4.12Å; M54-F82 HydrophobicContact CG-CB 3.85Å; M54-F82 HydrophobicContact CG-CD1 4.43Å; M54-F82 HydrophobicContact CG-CD2 4.12Å; M54-F82 HydrophobicContact CG-CG 3.88Å; M54-F82 HydrophobicContact SD-CD2 4.28Å; L78-F82 HydrophobicContact CD2-CD2 3.97Å; L78-F82 HydrophobicContact CD2-CE2 3.61Å; L78-F82 WeakPolarHBondContact O-CD2 3.15Å; L78-F82 PolarHBondContact O-N 3.2Å; E80-F82 VanDerWaalsContact C-N 3.32Å; E80-F82 PolarHBondContact O-N 3.06Å; F82-K84 PolarHBondContact O-N 2.6Å; F82-K84 VanDerWaalsContact O-N 3.11Å; F82-M86 HydrophobicContact CD1-CB 4.38Å; F82-M86 HydrophobicContact CD1-CE 3.57Å; F82-M86 HydrophobicContact CE1-CE 3.01Å; F82-M86 HydrophobicContact CE2-CE 4.37Å; F82-M86 HydrophobicContact CG-CE 4.43Å; F82-M86 HydrophobicContact CZ-CE 3.48Å; F82-M86 VanDerWaalsContact CZ-CE 3.48Å; F82-H88 HydrophobicContact CE1-CB 4.28Å; F82-L92 HydrophobicContact CE2-CD2 4.18Å; F82-L92 HydrophobicContact CZ-CD2 4.43Å
83S86.8Confident89.9Confident82 Ų8245.9 Ų45.957%0.57323%0.234SC*.SBendtrans-60.1-20.4177.7590000114.7P79 E80P79-S83 PolarHBondContact O-N 3.26Å; P79-S83 VanDerWaalsContact O-N 3.13Å; E80-S83 VanDerWaalsContact O-CB 3.28Å; E80-S83 WeakPolarHBondContact O-CB 3.41Å; E80-S83 PolarHBondContact O-N 2.93Å; E80-S83 PolarHBondContact O-OG 2.78Å
84K82.7Confident90.1Very high102 Ų10242.7 Ų42.744%0.44321%0.214SC..SBendtrans-123.6146170.8-59.2-177.9179-176.20109.7R9 F82 M86R9-K84 PolarHBondContact NH2-O 3.39Å; R9-K84 VanDerWaalsContact NH2-O 3.11Å; F82-K84 PolarHBondContact O-N 2.6Å; F82-K84 VanDerWaalsContact O-N 3.11Å; K84-M86 PolarHBondContact O-N 3.1Å
85P79.7Confident90.2Very high70 Ų7033.5 Ų33.546%0.45518%0.18SC..  trans-47.7133.1178.8-2834.9000112.3R9R9-P85 PolarHBondContact N-O 3.1Å; R9-P85 VanDerWaalsContact N-O 3.08Å
86M84.3Confident90.4Very high3 Ų335 Ų352%0.01519%0.188CC..BIsolated β-bridgetrans-138.5126.7-178.7-167.1166.262.400110.9M1 R9 T51 L81 F82 K84 H88M1-M86 HydrophobicContact CE-CE 3.64Å; M1-M86 HydrophobicContact CE-SD 3.13Å; M1-M86 WeakPolarHBondContact CE-SD 3.47Å; M1-M86 HydrophobicContact CG-SD 4.35Å; M1-M86 HydrophobicContact SD-SD 3.52Å; R9-M86 HydrophobicContact CB-CG 4.22Å; R9-M86 CarbonylContact O-C 3.47Å; R9-M86 VanDerWaalsContact O-CA 3.29Å; R9-M86 WeakPolarHBondContact O-CA 3.27Å; R9-M86 WeakPolarHBondContact O-CG 3.22Å; T51-M86 PolarHBondContact OG1-N 3.07Å; T51-M86 VanDerWaalsContact OG1-N 3.07Å; T51-M86 PolarHBondContact OG1-O 3.05Å; L81-M86 HydrophobicContact CG-CE 4.49Å; F82-M86 HydrophobicContact CD1-CB 4.38Å; F82-M86 HydrophobicContact CD1-CE 3.57Å; F82-M86 HydrophobicContact CE1-CE 3.01Å; F82-M86 HydrophobicContact CE2-CE 4.37Å; F82-M86 HydrophobicContact CG-CE 4.43Å; F82-M86 HydrophobicContact CZ-CE 3.48Å; F82-M86 VanDerWaalsContact CZ-CE 3.48Å; K84-M86 PolarHBondContact O-N 3.1Å; M86-H88 VanDerWaalsContact C-N 3.34Å; M86-H88 HydrophobicContact CE-CB 3.71Å; M86-H88 HydrophobicContact CG-CB 3.97Å; M86-H88 PolarHBondContact O-N 2.94Å; M86-H88 HydrophobicContact SD-CB 4.37Å
87E83.8Confident90.5Very high118 Ų11836.6 Ų36.655%0.55120%0.197SC*.  trans-74.893.8165.5-70.9-61.2155.900107.4I4 T8 R9I4-E87 HydrophobicContact CD1-CB 3.93Å; I4-E87 HydrophobicContact CD1-CG 3.9Å; T8-E87 HydrophobicContact CG2-CG 3.79Å; R9-E87 PolarHBondContact O-N 3.2Å
88H87.2Confident90.4Very high13 Ų1335.9 Ų35.96%0.0619%0.19CC..  trans-145.6109.3178.5-164.5-58.2000108S49 W50 F82 M86 Q90S49-H88 WeakPolarHBondContact CA-O 3.48Å; W50-H88 AromaticContact CD1-CG 4Å; W50-H88 AromaticContact CD1-ND1 3.21Å; W50-H88 PolarHBondContact N-O 3.46Å; W50-H88 AromaticContact NE1-ND1 3.64Å; F82-H88 HydrophobicContact CE1-CB 4.28Å; M86-H88 VanDerWaalsContact C-N 3.34Å; M86-H88 HydrophobicContact CE-CB 3.71Å; M86-H88 HydrophobicContact CG-CB 3.97Å; M86-H88 PolarHBondContact O-N 2.94Å; M86-H88 HydrophobicContact SD-CB 4.37Å; H88-Q90 PolarHBondContact CE1-O 2.89Å; H88-Q90 PolarHBondContact ND1-O 3.48Å; H88-Q90 PolarHBondContact ND1-OE1 2.9Å
89N93.9Very high90.3Very high53 Ų5342.1 Ų42.128%0.28322%0.217SC..  trans-120.23.417168-12000111.6N39 C47N39-N89 WeakPolarHBondContact CB-O 3.26Å; N39-N89 PolarHBondContact ND2-ND2 3.37Å; C47-N89 WeakPolarHBondContact CB-O 3.37Å
90Q95Very high90Very high20 Ų2045.1 Ų45.19%0.09323%0.232CC..SBendtrans-67.8152.7175.8-60.974.413.900110Y14 G36 K38 W50 H88Y14-Q90 HydrophobicContact CE1-CG 4.06Å; Y14-Q90 PolarHBondContact OH-NE2 3.29Å; G36-Q90 WeakPolarHBondContact O-CB 3.49Å; G36-Q90 WeakPolarHBondContact O-CG 3.41Å; K38-Q90 CarbonylContact O-C 3.53Å; K38-Q90 VanDerWaalsContact O-CA 3.25Å; K38-Q90 WeakPolarHBondContact O-CA 3.5Å; W50-Q90 PolarHBondContact NE1-O 3.36Å; H88-Q90 PolarHBondContact CE1-O 2.89Å; H88-Q90 PolarHBondContact ND1-O 3.48Å; H88-Q90 PolarHBondContact ND1-OE1 2.9Å
91C96.4Very high89.8Confident1 Ų142.4 Ų42.41%0.00722%0.219CC..  trans-59.9144.5176.9-58.70000110.8Y34 K38 P118 I119 C133 F134Y34-C91 HydrophobicContact CD1-CB 4.28Å; Y34-C91 WeakPolarHBondContact CD1-O 2.95Å; Y34-C91 HydrophobicContact CE1-CB 4.22Å; K38-C91 PolarHBondContact O-N 2.81Å; K38-C91 PolarHBondContact O-SG 2.97Å; C91-P118 HydrophobicContact CB-CB 4.07Å; C91-I119 CarbonylContact C-O 3.47Å; C91-I119 VanDerWaalsContact CA-O 3.3Å; C91-I119 WeakPolarHBondContact CA-O 2.82Å; C91-C133 HydrophobicContact CB-CB 3.53Å; C91-C133 WeakPolarHBondContact CB-SG 2.91Å; C91-C133 WeakPolarHBondContact SG-CB 3.4Å; C91-C133 CovalentContact SG-SG 2.01Å; C91-C133 PolarHBondContact SG-SG 3.07Å; C91-F134 HydrophobicContact CB-CE2 4.47Å
92L95.4Very high89.5Confident18 Ų1844 Ų449%0.09424%0.239CC..BIsolated β-bridgetrans-133134.2-178.4-17063.5000109.1W50 L78 F82 I94 L97 P118 I119W50-L92 HydrophobicContact CD2-CD2 4.44Å; W50-L92 HydrophobicContact CH2-CB 4.14Å; W50-L92 HydrophobicContact CZ2-CB 3.43Å; W50-L92 VanDerWaalsContact CZ2-CB 3.43Å; W50-L92 HydrophobicContact CZ2-CD2 4.28Å; L78-L92 HydrophobicContact CD2-CD2 3.67Å; F82-L92 HydrophobicContact CE2-CD2 4.18Å; F82-L92 HydrophobicContact CZ-CD2 4.43Å; L92-I94 PolarHBondContact O-N 2.95Å; L92-I94 VanDerWaalsContact O-N 3.14Å; L92-L97 HydrophobicContact CD1-CD1 4.03Å; L92-L97 HydrophobicContact CD2-CD1 3.52Å; L92-L97 HydrophobicContact CG-CD1 3.81Å; L92-P118 WeakPolarHBondContact O-CA 3.07Å; L92-I119 PolarHBondContact N-O 3.09Å; L92-I119 PolarHBondContact O-N 3.16Å
93N95.2Very high89.2Confident1 Ų144.6 Ų44.61%0.00525%0.245CC..  trans-81.790.4169.7-163.1-9000109M29 I32 L95 T96 P118M29-N93 PolarHBondContact O-ND2 3.11Å; I32-N93 WeakPolarHBondContact CG2-ND2 3.39Å; I32-N93 VanDerWaalsContact O-CB 3.24Å; I32-N93 WeakPolarHBondContact O-CB 3.19Å; I32-N93 PolarHBondContact O-ND2 3.29Å; N93-L95 PolarHBondContact O-N 3.13Å; N93-L95 VanDerWaalsContact O-N 3.15Å; N93-L95 WeakPolarHBondContact OD1-CB 3.3Å; N93-L95 PolarHBondContact OD1-N 3.2Å; N93-T96 HydrophobicContact CB-CG2 4.15Å; N93-T96 PolarHBondContact O-N 2.83Å; N93-T96 PolarHBondContact O-OG1 2.84Å; N93-P118 HydrophobicContact CB-CB 4.49Å; N93-P118 HydrophobicContact CB-CG 4.21Å
94I93.7Very high88.8Confident1 Ų142.5 Ų42.51%0.00523%0.225CC..G310 helixtrans-57.2-32.3-179.8-68.5-173.2000111W50 W66 I69 F70 L78 L92 T96 L97 I98 L115 I119 F121W50-I94 HydrophobicContact CH2-CD1 3.74Å; W50-I94 HydrophobicContact CH2-CG1 3.96Å; W50-I94 HydrophobicContact CZ3-CD1 3.83Å; W50-I94 HydrophobicContact CZ3-CG1 4.33Å; W66-I94 HydrophobicContact CH2-CD1 4.06Å; W66-I94 HydrophobicContact CZ3-CD1 3.55Å; I69-I94 HydrophobicContact CG2-CG2 4.04Å; F70-I94 HydrophobicContact CE1-CD1 4.07Å; F70-I94 HydrophobicContact CZ-CD1 4.28Å; L78-I94 HydrophobicContact CD1-CD1 4.38Å; L78-I94 HydrophobicContact CD1-CG1 4.3Å; L78-I94 HydrophobicContact CD1-CG2 3.95Å; L92-I94 PolarHBondContact O-N 2.95Å; L92-I94 VanDerWaalsContact O-N 3.14Å; I94-T96 VanDerWaalsContact C-N 3.27Å; I94-T96 PolarHBondContact O-N 3.32Å; I94-L97 WeakPolarHBondContact O-CA 3.2Å; I94-L97 WeakPolarHBondContact O-CB 3.42Å; I94-L97 PolarHBondContact O-N 2.99Å; I94-I98 HydrophobicContact CG2-CD1 4.09Å; I94-I98 HydrophobicContact CG2-CG1 4.13Å; I94-I98 WeakPolarHBondContact O-CG1 3.4Å; I94-I98 PolarHBondContact O-N 3.29Å; I94-L115 HydrophobicContact CB-CD2 4.38Å; I94-L115 HydrophobicContact CG2-CD2 4.32Å; I94-I119 HydrophobicContact CD1-CD1 3.77Å; I94-I119 HydrophobicContact CD1-CG1 4.21Å; I94-I119 HydrophobicContact CG1-CD1 4.3Å; I94-I119 HydrophobicContact CG1-CG1 4.27Å; I94-F121 HydrophobicContact CD1-CE2 4.37Å
95L91.9Very high88.4Confident1 Ų141.3 Ų41.31%0.00522%0.218CC..G310 helixtrans-58.5-37.9-177.2-17658.4000112.4L30 N93 L97 I98 Q101 Y104 L115L30-L95 HydrophobicContact CB-CD2 4.04Å; L30-L95 HydrophobicContact CD2-CD2 3.75Å; L30-L95 HydrophobicContact CG-CD2 4.44Å; N93-L95 PolarHBondContact O-N 3.13Å; N93-L95 VanDerWaalsContact O-N 3.15Å; N93-L95 WeakPolarHBondContact OD1-CB 3.3Å; N93-L95 PolarHBondContact OD1-N 3.2Å; L95-L97 PolarHBondContact O-N 3.01Å; L95-I98 HydrophobicContact CD1-CD1 4.47Å; L95-I98 PolarHBondContact O-N 2.71Å; L95-Q101 HydrophobicContact CD1-CG 3.56Å; L95-Q101 HydrophobicContact CD2-CG 4.42Å; L95-Q101 HydrophobicContact CG-CG 3.64Å; L95-Q101 WeakPolarHBondContact O-CG 3.26Å; L95-Y104 HydrophobicContact CD1-CD1 4.02Å; L95-Y104 HydrophobicContact CD1-CD2 4.12Å; L95-Y104 HydrophobicContact CD1-CG 3.53Å; L95-Y104 HydrophobicContact CD2-CD1 4.41Å; L95-Y104 HydrophobicContact CD2-CG 4.39Å; L95-L115 WeakPolarHBondContact CD2-O 3.45Å
96T93.5Very high88.1Confident33 Ų3344 Ų4420%0.20222%0.222CC..G310 helixtrans-72.2-13.4177.466.80000113.1E33 N93 I94E33-T96 HydrophobicContact CG-CG2 4.26Å; N93-T96 HydrophobicContact CB-CG2 4.15Å; N93-T96 PolarHBondContact O-N 2.83Å; N93-T96 PolarHBondContact O-OG1 2.84Å; I94-T96 VanDerWaalsContact C-N 3.27Å; I94-T96 PolarHBondContact O-N 3.32Å
97L93.1Very high87.5Confident34 Ų3444.9 Ų44.918%0.17823%0.226CC..G310 helixtrans-97.8-10.1177.8-58.3175.8000112.9S76 A77 L78 L81 L92 I94 L95S76-L97 CarbonylContact C-O 3.43Å; S76-L97 WeakPolarHBondContact CA-O 3.49Å; S76-L97 VanDerWaalsContact CB-O 3.31Å; S76-L97 WeakPolarHBondContact CB-O 3.22Å; A77-L97 HydrophobicContact CB-CD2 4.47Å; A77-L97 PolarHBondContact N-O 3.47Å; L78-L97 HydrophobicContact CD2-CD1 3.53Å; L78-L97 HydrophobicContact CG-CB 4.34Å; L78-L97 HydrophobicContact CG-CD1 3.94Å; L81-L97 HydrophobicContact CD2-CD1 4.14Å; L92-L97 HydrophobicContact CD1-CD1 4.03Å; L92-L97 HydrophobicContact CD2-CD1 3.52Å; L92-L97 HydrophobicContact CG-CD1 3.81Å; I94-L97 WeakPolarHBondContact O-CA 3.2Å; I94-L97 WeakPolarHBondContact O-CB 3.42Å; I94-L97 PolarHBondContact O-N 2.99Å; L95-L97 PolarHBondContact O-N 3.01Å
98I91.6Very high86.7Confident10 Ų1043.4 Ų43.45%0.05123%0.227CC..BIsolated β-bridgetrans-78133.4177.1-68.2176000109.7I69 I94 L95 F107 L115I69-I98 HydrophobicContact CD1-CD1 4.36Å; I94-I98 HydrophobicContact CG2-CD1 4.09Å; I94-I98 HydrophobicContact CG2-CG1 4.13Å; I94-I98 WeakPolarHBondContact O-CG1 3.4Å; I94-I98 PolarHBondContact O-N 3.29Å; L95-I98 HydrophobicContact CD1-CD1 4.47Å; L95-I98 PolarHBondContact O-N 2.71Å; I98-F107 HydrophobicContact CD1-CD2 4.39Å; I98-F107 HydrophobicContact CD1-CE2 3.69Å; I98-F107 HydrophobicContact CD1-CZ 4.46Å; I98-F107 HydrophobicContact CG2-CE2 3.83Å; I98-F107 HydrophobicContact CG2-CZ 3.64Å; I98-L115 HydrophobicContact CD1-CD1 4.31Å
99K90.2Very high85.6Confident131 Ų13145.1 Ų45.157%0.5725%0.249SC*.THydrogen-bonded Turntrans-69.3-35.5-177.3-63.7-63.5-174-177.50113.3A75A75-K99 PolarHBondContact O-N 3.17Å
100D86.3Confident84.6Confident82 Ų8243.3 Ų43.344%0.43924%0.238SC..THydrogen-bonded Turntrans-10765.7171.8-174.26.1000110.7A102 S103D100-A102 PolarHBondContact O-N 2.61Å; D100-S103 PolarHBondContact O-N 3.41Å; D100-S103 WeakPolarHBondContact OD1-CB 2.98Å; D100-S103 PolarHBondContact OD1-N 3Å; D100-S103 VanDerWaalsContact OD1-N 3.14Å; D100-S103 PolarHBondContact OD1-OG 2.97Å; D100-S103 WeakPolarHBondContact OD2-CB 3.31Å; D100-S103 PolarHBondContact OD2-OG 2.96Å
101Q85.9Confident83.4Confident57 Ų5744 Ų4427%0.26624%0.243SC..G310 helixtrans-58.8-35.9177.8-169-175.1-9.200111.7L30 N31 L95 S103 Y104L30-Q101 PolarHBondContact O-NE2 2.96Å; N31-Q101 PolarHBondContact OD1-NE2 3.23Å; L95-Q101 HydrophobicContact CD1-CG 3.56Å; L95-Q101 HydrophobicContact CD2-CG 4.42Å; L95-Q101 HydrophobicContact CG-CG 3.64Å; L95-Q101 WeakPolarHBondContact O-CG 3.26Å; Q101-S103 VanDerWaalsContact C-N 3.26Å; Q101-S103 PolarHBondContact O-N 2.86Å; Q101-Y104 WeakPolarHBondContact O-CB 3.42Å; Q101-Y104 WeakPolarHBondContact O-CD1 3.06Å; Q101-Y104 PolarHBondContact O-N 2.94Å; Q101-Y104 VanDerWaalsContact O-N 3.12Å
102A83.9Confident82.3Confident81 Ų8144.1 Ų44.167%0.66924%0.244SC*.G310 helixtrans-62.8-33.7-176.600000112.2D100 Y105D100-A102 PolarHBondContact O-N 2.61Å; A102-Y105 WeakPolarHBondContact O-CD1 3.49Å; A102-Y105 WeakPolarHBondContact O-CE1 3.47Å
103S82.5Confident81.4Confident26 Ų2643.9 Ų43.918%0.18224%0.242CC..G310 helixtrans-9516.5178.1-55.70000113.8D100 Q101 Y105 K106D100-S103 PolarHBondContact O-N 3.41Å; D100-S103 WeakPolarHBondContact OD1-CB 2.98Å; D100-S103 PolarHBondContact OD1-N 3Å; D100-S103 VanDerWaalsContact OD1-N 3.14Å; D100-S103 PolarHBondContact OD1-OG 2.97Å; D100-S103 WeakPolarHBondContact OD2-CB 3.31Å; D100-S103 PolarHBondContact OD2-OG 2.96Å; Q101-S103 VanDerWaalsContact C-N 3.26Å; Q101-S103 PolarHBondContact O-N 2.86Å; S103-Y105 PolarHBondContact O-N 3.36Å; S103-K106 WeakPolarHBondContact O-CB 3.24Å; S103-K106 PolarHBondContact O-N 2.94Å
104Y78.5Confident80.7Confident37 Ų3745 Ų4515%0.14525%0.248CC..G310 helixtrans-55.9-32.8-169.380.4-83.1000114.7L95 Q101 K106 F107 P112 L115L95-Y104 HydrophobicContact CD1-CD1 4.02Å; L95-Y104 HydrophobicContact CD1-CD2 4.12Å; L95-Y104 HydrophobicContact CD1-CG 3.53Å; L95-Y104 HydrophobicContact CD2-CD1 4.41Å; L95-Y104 HydrophobicContact CD2-CG 4.39Å; Q101-Y104 WeakPolarHBondContact O-CB 3.42Å; Q101-Y104 WeakPolarHBondContact O-CD1 3.06Å; Q101-Y104 PolarHBondContact O-N 2.94Å; Q101-Y104 VanDerWaalsContact O-N 3.12Å; Y104-K106 PolarHBondContact O-N 3.34Å; Y104-F107 WeakPolarHBondContact O-CD2 3.36Å; Y104-F107 WeakPolarHBondContact O-CG 3.45Å; Y104-F107 PolarHBondContact O-N 3.38Å; Y104-P112 HydrophobicContact CE2-CB 4.1Å; Y104-L115 HydrophobicContact CD2-CB 4.08Å; Y104-L115 HydrophobicContact CD2-CD1 4.24Å; Y104-L115 HydrophobicContact CE2-CB 4.46Å
105Y74.3Confident80.2Confident77 Ų7745.1 Ų45.130%0.30225%0.249SC..G310 helixtrans-56.5-46.6179.362.5-81.5000106.1A102 S103 F107 W185 E186A102-Y105 WeakPolarHBondContact O-CD1 3.49Å; A102-Y105 WeakPolarHBondContact O-CE1 3.47Å; S103-Y105 PolarHBondContact O-N 3.36Å; Y105-F107 PolarHBondContact O-N 2.63Å; Y105-W185 VanDerWaalsContact CA-CZ3 3.44Å; Y105-W185 VanDerWaalsContact CB-CZ3 3.47Å; Y105-W185 AromaticContact CD2-CH2 3.16Å; Y105-W185 HydrophobicContact CD2-CH2 3.16Å; Y105-W185 AromaticContact CD2-CZ2 3.29Å; Y105-W185 HydrophobicContact CD2-CZ2 3.29Å; Y105-W185 HydrophobicContact CD2-CZ3 4.3Å; Y105-W185 HydrophobicContact CE2-CH2 4.29Å; Y105-W185 HydrophobicContact CE2-CZ2 4.09Å; Y105-W185 AromaticContact CG-CH2 3.49Å; Y105-W185 HydrophobicContact CG-CH2 3.49Å; Y105-W185 VanDerWaalsContact CG-CH2 3.49Å; Y105-W185 HydrophobicContact CG-CZ2 4.11Å; Y105-W185 HydrophobicContact CG-CZ3 4.35Å; Y105-W185 WeakPolarHBondContact O-CH2 3.05Å; Y105-W185 WeakPolarHBondContact O-CZ3 3.16Å; Y105-E186 HydrophobicContact CD2-CG 4Å; Y105-E186 HydrophobicContact CG-CG 4.5Å
106K74Confident79.8Confident126 Ų12648 Ų4855%0.54826%0.261SS..G310 helixtrans-66.90-169.5-60.1179.2-175.8162.60114.6S103 Y104 P108S103-K106 WeakPolarHBondContact O-CB 3.24Å; S103-K106 PolarHBondContact O-N 2.94Å; Y104-K106 PolarHBondContact O-N 3.34Å; K106-P108 VanDerWaalsContact O-CD 3.23Å; K106-P108 WeakPolarHBondContact O-CD 3.35Å; K106-P108 VanDerWaalsContact O-N 3.15Å
107F72.1Confident79.8Confident22 Ų2246.6 Ų46.610%0.09625%0.253CS..  trans-66.6110.7179.1-65.3-44.7000111W68 I98 Y104 Y105 G109 I110 L115W68-F107 HydrophobicContact CE3-CD1 4.44Å; W68-F107 AromaticContact CH2-CD1 3.94Å; W68-F107 HydrophobicContact CH2-CD1 3.94Å; W68-F107 AromaticContact CH2-CE1 3.39Å; W68-F107 HydrophobicContact CH2-CE1 3.39Å; W68-F107 HydrophobicContact CH2-CZ 4.16Å; W68-F107 AromaticContact CZ3-CD1 3.4Å; W68-F107 HydrophobicContact CZ3-CD1 3.4Å; W68-F107 AromaticContact CZ3-CE1 3.26Å; W68-F107 HydrophobicContact CZ3-CE1 3.26Å; W68-F107 HydrophobicContact CZ3-CG 4.33Å; W68-F107 HydrophobicContact CZ3-CZ 4.03Å; I98-F107 HydrophobicContact CD1-CD2 4.39Å; I98-F107 HydrophobicContact CD1-CE2 3.69Å; I98-F107 HydrophobicContact CD1-CZ 4.46Å; I98-F107 HydrophobicContact CG2-CE2 3.83Å; I98-F107 HydrophobicContact CG2-CZ 3.64Å; Y104-F107 WeakPolarHBondContact O-CD2 3.36Å; Y104-F107 WeakPolarHBondContact O-CG 3.45Å; Y104-F107 PolarHBondContact O-N 3.38Å; Y105-F107 PolarHBondContact O-N 2.63Å; F107-G109 PolarHBondContact O-N 2.94Å; F107-I110 HydrophobicContact CB-CB 4.43Å; F107-I110 HydrophobicContact CB-CD1 4.1Å; F107-I110 HydrophobicContact CB-CG1 4.39Å; F107-I110 PolarHBondContact O-N 2.95Å; F107-L115 HydrophobicContact CD2-CD1 4.2Å
108P65.6Low79.9Confident88 Ų8845 Ų4557%0.57125%0.245SC*.THydrogen-bonded Turntrans-63133.4-174.726.6-33.8000110.1Y64 Q65 K106 I110Y64-P108 HydrophobicContact CE2-CG 4.49Å; Y64-P108 PolarHBondContact OH-O 2.99Å; Q65-P108 WeakPolarHBondContact CG-O 3.16Å; K106-P108 VanDerWaalsContact O-CD 3.23Å; K106-P108 WeakPolarHBondContact O-CD 3.35Å; K106-P108 VanDerWaalsContact O-N 3.15Å; P108-I110 VanDerWaalsContact C-N 3.25Å; P108-I110 PolarHBondContact O-N 3.01Å
109G65.5Low80.1Confident49 Ų4944.7 Ų44.751%0.50524%0.244SC..THydrogen-bonded Turntrans73.26.9172.700000116Q65 F107Q65-G109 PolarHBondContact NE2-O 2.04Å; F107-G109 PolarHBondContact O-N 2.94Å
110I71.2Confident80.4Confident14 Ų1438.4 Ų38.47%0.07222%0.216CC..SBendtrans-96.7128.6163.3-59-176.3000106.8Q65 I69 F107 P108 P112 I114 L115Q65-I110 HydrophobicContact CB-CD1 4Å; Q65-I110 HydrophobicContact CB-CG1 3.6Å; Q65-I110 HydrophobicContact CG-CG1 4Å; I69-I110 HydrophobicContact CD1-CD1 3.41Å; I69-I110 VanDerWaalsContact CD1-CD1 3.41Å; F107-I110 HydrophobicContact CB-CB 4.43Å; F107-I110 HydrophobicContact CB-CD1 4.1Å; F107-I110 HydrophobicContact CB-CG1 4.39Å; F107-I110 PolarHBondContact O-N 2.95Å; P108-I110 VanDerWaalsContact C-N 3.25Å; P108-I110 PolarHBondContact O-N 3.01Å; I110-P112 WeakPolarHBondContact O-CD 3.42Å; I110-P112 VanDerWaalsContact O-N 3.12Å; I110-I114 HydrophobicContact CG2-CG2 3.74Å; I110-L115 HydrophobicContact CG2-CD1 3.96Å; I110-L115 HydrophobicContact CG2-CG 4.04Å
111D70.3Confident80.8Confident34 Ų3434.6 Ų34.618%0.18220%0.196CC..  trans-65.2111.5168.5-176.3-15.3000107.7I113 I114 H192D111-I113 PolarHBondContact O-N 2.99Å; D111-I113 VanDerWaalsContact OD1-CB 3.3Å; D111-I113 WeakPolarHBondContact OD1-CB 3.19Å; D111-I113 PolarHBondContact OD1-N 2.8Å; D111-I114 WeakPolarHBondContact O-CG2 3Å; D111-I114 PolarHBondContact O-N 3.33Å; D111-H192 IonicContact OD2-CD2 3.29Å
112P73.1Confident81.2Confident4 Ų432 Ų323%0.02618%0.184CC..G310 helixtrans-58.8-21.3-175.826.6-37000112.3Y104 I110 I114 L115 K116 W185Y104-P112 HydrophobicContact CE2-CB 4.1Å; I110-P112 WeakPolarHBondContact O-CD 3.42Å; I110-P112 VanDerWaalsContact O-N 3.12Å; P112-I114 PolarHBondContact O-N 3.29Å; P112-L115 PolarHBondContact O-N 3.38Å; P112-K116 WeakPolarHBondContact O-CG 3.3Å; P112-W185 HydrophobicContact CB-CZ3 4.14Å; P112-W185 HydrophobicContact CG-CE3 3.91Å; P112-W185 HydrophobicContact CG-CZ3 3.93Å
113I76.5Confident81.5Confident14 Ų1432.1 Ų32.17%0.07217%0.173CC..G310 helixtrans-62.8-32.3175.1-71.8154.1000111.8D111 L115 K116 F161 H192D111-I113 PolarHBondContact O-N 2.99Å; D111-I113 VanDerWaalsContact OD1-CB 3.3Å; D111-I113 WeakPolarHBondContact OD1-CB 3.19Å; D111-I113 PolarHBondContact OD1-N 2.8Å; I113-L115 PolarHBondContact O-N 2.95Å; I113-K116 HydrophobicContact CG1-CD 4.41Å; I113-K116 WeakPolarHBondContact O-CB 2.97Å; I113-K116 PolarHBondContact O-N 3.05Å; I113-K116 VanDerWaalsContact O-N 3.16Å; I113-F161 HydrophobicContact CG2-CE1 4.38Å; I113-H192 WeakPolarHBondContact CD1-CD2 3.4Å; I113-H192 WeakPolarHBondContact CD1-NE2 3.49Å
114I80.3Confident81.7Confident25 Ų2533.6 Ų33.613%0.12818%0.179CC..G310 helixtrans-68.5-25.3178.5-153.655.3000112.3W66 I110 D111 P112 K116 I119 P130W66-I114 HydrophobicContact CZ2-CG2 4.35Å; I110-I114 HydrophobicContact CG2-CG2 3.74Å; D111-I114 WeakPolarHBondContact O-CG2 3Å; D111-I114 PolarHBondContact O-N 3.33Å; P112-I114 PolarHBondContact O-N 3.29Å; I114-K116 VanDerWaalsContact C-N 3.32Å; I114-I119 HydrophobicContact CD1-CG2 4.27Å; I114-I119 HydrophobicContact CG1-CG2 4.26Å; I114-I119 WeakPolarHBondContact O-CG2 3.47Å; I114-P130 HydrophobicContact CD1-CB 4.17Å; I114-P130 HydrophobicContact CD1-CG 4.37Å; I114-P130 HydrophobicContact CG1-CB 3.59Å; I114-P130 HydrophobicContact CG1-CG 3.68Å
115L84.6Confident82.1Confident3 Ų339.5 Ų39.52%0.01621%0.208CC..G310 helixtrans-88.71.9177.4-64.1-179000112.8W66 I94 L95 I98 Y104 F107 I110 P112 I113 G117W66-L115 HydrophobicContact CH2-CD2 4.26Å; I94-L115 HydrophobicContact CB-CD2 4.38Å; I94-L115 HydrophobicContact CG2-CD2 4.32Å; L95-L115 WeakPolarHBondContact CD2-O 3.45Å; I98-L115 HydrophobicContact CD1-CD1 4.31Å; Y104-L115 HydrophobicContact CD2-CB 4.08Å; Y104-L115 HydrophobicContact CD2-CD1 4.24Å; Y104-L115 HydrophobicContact CE2-CB 4.46Å; F107-L115 HydrophobicContact CD2-CD1 4.2Å; I110-L115 HydrophobicContact CG2-CD1 3.96Å; I110-L115 HydrophobicContact CG2-CG 4.04Å; P112-L115 PolarHBondContact O-N 3.38Å; I113-L115 PolarHBondContact O-N 2.95Å; L115-G117 PolarHBondContact O-N 3.34Å
116K83.8Confident82.5Confident60 Ų6042.8 Ų42.826%0.26123%0.231SC..SBendtrans-8256.2176.6-62.4-178.3-174.7177.90111.2M29 L30 P112 I113 I114 E186M29-K116 WeakPolarHBondContact CG-O 3.16Å; L30-K116 HydrophobicContact CD2-CB 4.22Å; L30-K116 HydrophobicContact CD2-CG 4.14Å; P112-K116 WeakPolarHBondContact O-CG 3.3Å; I113-K116 HydrophobicContact CG1-CD 4.41Å; I113-K116 WeakPolarHBondContact O-CB 2.97Å; I113-K116 PolarHBondContact O-N 3.05Å; I113-K116 VanDerWaalsContact O-N 3.16Å; I114-K116 VanDerWaalsContact C-N 3.32Å; K116-E186 PolarHBondContact NZ-O 2.89Å
117G92.5Very high83Confident4 Ų443.7 Ų43.74%0.04124%0.235CC..SBendtrans130.3-175.2173.500000115.5M29 L115 I119M29-G117 WeakPolarHBondContact O-CA 3.47Å; L115-G117 PolarHBondContact O-N 3.34Å; G117-I119 PolarHBondContact O-N 2.97Å
118P96.1Very high83.8Confident2 Ų244.7 Ų44.71%0.01324%0.241CC..  trans-63.3131.7177.7-18.729.9000112.3I24 I32 Y34 C91 L92 N93 C133 F134I24-P118 HydrophobicContact CD1-CG 3.77Å; I32-P118 HydrophobicContact CG2-CG 4.02Å; Y34-P118 HydrophobicContact CG-CB 4.48Å; Y34-P118 HydrophobicContact CG-CG 4.2Å; C91-P118 HydrophobicContact CB-CB 4.07Å; L92-P118 WeakPolarHBondContact O-CA 3.07Å; N93-P118 HydrophobicContact CB-CB 4.49Å; N93-P118 HydrophobicContact CB-CG 4.21Å; P118-C133 WeakPolarHBondContact O-CB 3.47Å; P118-C133 PolarHBondContact O-N 2.78Å; P118-F134 HydrophobicContact CB-CD2 3.84Å; P118-F134 HydrophobicContact CB-CE2 3.99Å; P118-F134 HydrophobicContact CG-CD2 3.81Å; P118-F134 HydrophobicContact CG-CE2 4.06Å
119I95.5Very high84.9Confident2 Ų242.6 Ų42.61%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-123.9171.1178.366.4169.1000111.4W50 W66 C91 L92 I94 I114 G117 F121 P130 Q131 C133W50-I119 HydrophobicContact CH2-CG1 4.32Å; W50-I119 WeakPolarHBondContact CZ2-O 2.74Å; W66-I119 HydrophobicContact CH2-CD1 3.94Å; C91-I119 CarbonylContact C-O 3.47Å; C91-I119 VanDerWaalsContact CA-O 3.3Å; C91-I119 WeakPolarHBondContact CA-O 2.82Å; L92-I119 PolarHBondContact N-O 3.09Å; L92-I119 PolarHBondContact O-N 3.16Å; I94-I119 HydrophobicContact CD1-CD1 3.77Å; I94-I119 HydrophobicContact CD1-CG1 4.21Å; I94-I119 HydrophobicContact CG1-CD1 4.3Å; I94-I119 HydrophobicContact CG1-CG1 4.27Å; I114-I119 HydrophobicContact CD1-CG2 4.27Å; I114-I119 HydrophobicContact CG1-CG2 4.26Å; I114-I119 WeakPolarHBondContact O-CG2 3.47Å; G117-I119 PolarHBondContact O-N 2.97Å; I119-F121 HydrophobicContact CD1-CE2 4.38Å; I119-P130 HydrophobicContact CD1-CB 3.84Å; I119-Q131 VanDerWaalsContact CA-O 3.3Å; I119-Q131 WeakPolarHBondContact CA-O 2.78Å; I119-Q131 WeakPolarHBondContact CB-O 3.4Å; I119-C133 VanDerWaalsContact C-SG 3.59Å
120C95.9Very high86.1Confident0 Ų041.7 Ų41.70%021%0.212CC..EExtended strand (participates in β ladder)trans-145168.2157.471.40000109.8C47 P130 Q131C47-C120 VanDerWaalsContact CA-SG 3.56Å; C47-C120 HydrophobicContact CB-CB 3.45Å; C47-C120 VanDerWaalsContact CB-CB 3.45Å; C47-C120 WeakPolarHBondContact CB-SG 3.23Å; C47-C120 WeakPolarHBondContact SG-CB 3.43Å; C47-C120 CovalentContact SG-SG 2.01Å; C47-C120 PolarHBondContact SG-SG 3.38Å; C120-P130 CarbonylContact O-C 3.5Å; C120-Q131 PolarHBondContact N-O 3.43Å; C120-Q131 PolarHBondContact O-N 3.19Å
121F94.2Very high87Confident1 Ų141.8 Ų41.80%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-93145.9173.8-74.3-102000110.4L48 W50 V53 W66 F70 I94 I119 I128 V129 P130L48-F121 WeakPolarHBondContact CB-O 3.39Å; L48-F121 HydrophobicContact CD1-CB 4.33Å; L48-F121 WeakPolarHBondContact CG-O 3.46Å; L48-F121 PolarHBondContact N-O 2.87Å; W50-F121 AromaticContact CH2-CD2 3.99Å; W50-F121 HydrophobicContact CH2-CD2 3.99Å; W50-F121 HydrophobicContact CH2-CE2 4.05Å; W50-F121 AromaticContact CZ3-CD2 3.83Å; W50-F121 HydrophobicContact CZ3-CD2 3.83Å; W50-F121 AromaticContact CZ3-CE2 3.8Å; W50-F121 HydrophobicContact CZ3-CE2 3.8Å; V53-F121 HydrophobicContact CG1-CB 4.43Å; V53-F121 HydrophobicContact CG1-CD1 4.36Å; V53-F121 HydrophobicContact CG1-CD2 3.76Å; V53-F121 HydrophobicContact CG1-CE2 4.1Å; V53-F121 HydrophobicContact CG1-CG 3.91Å; V53-F121 HydrophobicContact CG1-CZ 4.49Å; V53-F121 HydrophobicContact CG2-CB 3.67Å; V53-F121 HydrophobicContact CG2-CD2 4.28Å; V53-F121 HydrophobicContact CG2-CG 4.06Å; W66-F121 HydrophobicContact CD2-CE1 4.22Å; W66-F121 AromaticContact CD2-CZ 3.64Å; W66-F121 HydrophobicContact CD2-CZ 3.64Å; W66-F121 AromaticContact CE2-CZ 3.62Å; W66-F121 AromaticContact CE3-CZ 3.79Å; W66-F121 HydrophobicContact CE3-CZ 3.79Å; W66-F121 HydrophobicContact CG-CE1 4.46Å; W66-F121 HydrophobicContact CG-CZ 4.26Å; W66-F121 HydrophobicContact CH2-CE2 4.48Å; W66-F121 AromaticContact CH2-CZ 3.96Å; W66-F121 HydrophobicContact CH2-CZ 3.96Å; W66-F121 HydrophobicContact CZ2-CE1 4.45Å; W66-F121 AromaticContact CZ2-CZ 3.82Å; W66-F121 HydrophobicContact CZ2-CZ 3.82Å; W66-F121 HydrophobicContact CZ3-CE2 4.39Å; W66-F121 AromaticContact CZ3-CZ 3.94Å; W66-F121 HydrophobicContact CZ3-CZ 3.94Å; F70-F121 HydrophobicContact CE2-CE2 4.28Å; F70-F121 AromaticContact CE2-CZ 3.95Å; F70-F121 HydrophobicContact CE2-CZ 3.95Å; F70-F121 AromaticContact CZ-CE2 3.63Å; F70-F121 HydrophobicContact CZ-CE2 3.63Å; F70-F121 AromaticContact CZ-CZ 3.68Å; F70-F121 HydrophobicContact CZ-CZ 3.68Å; I94-F121 HydrophobicContact CD1-CE2 4.37Å; I119-F121 HydrophobicContact CD1-CE2 4.38Å; F121-I128 HydrophobicContact CB-CG2 4.17Å; F121-I128 HydrophobicContact CD1-CG2 3.83Å; F121-I128 HydrophobicContact CG-CG2 4.4Å; F121-V129 WeakPolarHBondContact CA-O 2.89Å; F121-P130 HydrophobicContact CD1-CB 4.35Å; F121-P130 HydrophobicContact CE1-CB 3.98Å; F121-P130 HydrophobicContact CE1-CG 4.33Å; F121-P130 HydrophobicContact CE2-CB 4.36Å; F121-P130 HydrophobicContact CZ-CB 3.98Å
122V94.3Very high88.2Confident2 Ų241 Ų411%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-130.2158.3173.4-58.80000109.5T41 K45 D124 I128 V129 Q131T41-V122 HydrophobicContact CG2-CG1 3.45Å; T41-V122 VanDerWaalsContact CG2-CG1 3.45Å; K45-V122 HydrophobicContact CB-CB 4.46Å; K45-V122 HydrophobicContact CB-CG1 3.91Å; K45-V122 HydrophobicContact CD-CB 4.36Å; K45-V122 HydrophobicContact CD-CG2 4.04Å; V122-D124 HydrophobicContact CG2-CB 4.39Å; V122-I128 WeakPolarHBondContact O-CA 3.18Å; V122-V129 HydrophobicContact CG2-CG2 3.96Å; V122-V129 PolarHBondContact N-O 2.9Å; V122-V129 PolarHBondContact O-N 3.18Å; V122-Q131 HydrophobicContact CG2-CB 4.47Å; V122-Q131 VanDerWaalsContact CG2-CD 3.42Å; V122-Q131 HydrophobicContact CG2-CG 3.75Å
123N90.7Very high89.2Confident84 Ų8440.8 Ų40.845%0.44921%0.207SC..EExtended strand (participates in β ladder)trans-83.7115.1161.7-174.8-19.2000108.1D126 I128N123-D126 WeakPolarHBondContact OD1-CA 3.4Å; N123-D126 PolarHBondContact OD1-N 3.26Å; N123-I128 HydrophobicContact CB-CD1 4.08Å
124D86Confident90.1Very high57 Ų5740.5 Ų40.531%0.30521%0.205SC..EExtended strand (participates in β ladder)trans-120.8107.5173.6-167.221.6000109.7K45 V122 D126 F127 V129K45-D124 IonicContact NZ-OD1 2.63Å; K45-D124 PolarHBondContact NZ-OD1 3.11Å; K45-D124 IonicContact NZ-OD2 3.54Å; K45-D124 PolarHBondContact NZ-OD2 3.35Å; V122-D124 HydrophobicContact CG2-CB 4.39Å; D124-D126 VanDerWaalsContact C-N 3.29Å; D124-D126 PolarHBondContact O-N 3.42Å; D124-F127 PolarHBondContact N-O 3Å; D124-F127 WeakPolarHBondContact O-CB 3.48Å; D124-F127 PolarHBondContact O-N 3.23Å; D124-V129 HydrophobicContact CB-CG2 3.65Å
125Q86.8Confident90.7Very high162 Ų16243.1 Ų43.176%0.75721%0.214SC*.THydrogen-bonded Turntrans5246.6-179.2-55.7-178.6-7.300112.7F127Q125-F127 WeakPolarHBondContact O-CD2 3.45Å; Q125-F127 PolarHBondContact O-N 2.87Å
126D83.7Confident91.1Very high146 Ų14643.3 Ų43.378%0.78122%0.215SC*.THydrogen-bonded Turntrans69.32.9-177-54.6-49.2000115.4N123 D124N123-D126 WeakPolarHBondContact OD1-CA 3.4Å; N123-D126 PolarHBondContact OD1-N 3.26Å; D124-D126 VanDerWaalsContact C-N 3.29Å; D124-D126 PolarHBondContact O-N 3.42Å
127F84.3Confident91.7Very high144 Ų14440.5 Ų40.563%0.63220%0.202SC*.EExtended strand (participates in β ladder)trans-98.1128.9171.1-62.5-82.4000110.9D124 Q125 V129D124-F127 PolarHBondContact N-O 3Å; D124-F127 WeakPolarHBondContact O-CB 3.48Å; D124-F127 PolarHBondContact O-N 3.23Å; Q125-F127 WeakPolarHBondContact O-CD2 3.45Å; Q125-F127 PolarHBondContact O-N 2.87Å; F127-V129 HydrophobicContact CB-CG1 3.9Å; F127-V129 PolarHBondContact O-N 2.78Å
128I88.5Confident91.7Very high44 Ų4443.1 Ų43.123%0.22621%0.214CC..EExtended strand (participates in β ladder)trans-82.5106172.6-53.9-64000108L48 L56 M62 F121 V122 N123L48-I128 HydrophobicContact CD1-CD1 3.69Å; L48-I128 HydrophobicContact CD1-CG2 4.06Å; L56-I128 HydrophobicContact CD1-CB 4.48Å; L56-I128 HydrophobicContact CD1-CD1 4.35Å; L56-I128 HydrophobicContact CD1-CG1 3.87Å; L56-I128 HydrophobicContact CD1-CG2 4.21Å; M62-I128 HydrophobicContact CE-CB 4.18Å; M62-I128 HydrophobicContact CE-CG2 3.5Å; M62-I128 VanDerWaalsContact CE-CG2 3.5Å; M62-I128 HydrophobicContact SD-CG2 4.47Å; F121-I128 HydrophobicContact CB-CG2 4.17Å; F121-I128 HydrophobicContact CD1-CG2 3.83Å; F121-I128 HydrophobicContact CG-CG2 4.4Å; V122-I128 WeakPolarHBondContact O-CA 3.18Å; N123-I128 HydrophobicContact CB-CD1 4.08Å
129V88.2Confident91.6Very high43 Ų4343.1 Ų43.126%0.26121%0.214SC..EExtended strand (participates in β ladder)trans-125.7142.1-172.7-63.20000111.6F121 V122 D124 F127 Q131F121-V129 WeakPolarHBondContact CA-O 2.89Å; V122-V129 HydrophobicContact CG2-CG2 3.96Å; V122-V129 PolarHBondContact N-O 2.9Å; V122-V129 PolarHBondContact O-N 3.18Å; D124-V129 HydrophobicContact CB-CG2 3.65Å; F127-V129 HydrophobicContact CB-CG1 3.9Å; F127-V129 PolarHBondContact O-N 2.78Å; V129-Q131 HydrophobicContact CG2-CG 4.47Å
130P91.4Very high91.6Very high30 Ų3044.7 Ų44.720%0.19522%0.221CC..EExtended strand (participates in β ladder)trans-69.7139.8170.933.4-39.4000110.1W66 I114 I119 C120 F121W66-P130 HydrophobicContact CH2-CB 4.41Å; W66-P130 HydrophobicContact CZ2-CB 3.82Å; W66-P130 HydrophobicContact CZ2-CG 3.67Å; I114-P130 HydrophobicContact CD1-CB 4.17Å; I114-P130 HydrophobicContact CD1-CG 4.37Å; I114-P130 HydrophobicContact CG1-CB 3.59Å; I114-P130 HydrophobicContact CG1-CG 3.68Å; I119-P130 HydrophobicContact CD1-CB 3.84Å; C120-P130 CarbonylContact O-C 3.5Å; F121-P130 HydrophobicContact CD1-CB 4.35Å; F121-P130 HydrophobicContact CE1-CB 3.98Å; F121-P130 HydrophobicContact CE1-CG 4.33Å; F121-P130 HydrophobicContact CE2-CB 4.36Å; F121-P130 HydrophobicContact CZ-CB 3.98Å
131Q91.4Very high91.5Very high17 Ų1745.4 Ų45.48%0.07923%0.227CC..EExtended strand (participates in β ladder)trans-136144.2172.7-71.7-165.9-5.500110.8T41 I119 C120 V122 V129T41-Q131 HydrophobicContact CG2-CB 3.56Å; T41-Q131 HydrophobicContact CG2-CG 4.46Å; T41-Q131 PolarHBondContact OG1-OE1 3.07Å; T41-Q131 VanDerWaalsContact OG1-OE1 3.1Å; I119-Q131 VanDerWaalsContact CA-O 3.3Å; I119-Q131 WeakPolarHBondContact CA-O 2.78Å; I119-Q131 WeakPolarHBondContact CB-O 3.4Å; C120-Q131 PolarHBondContact N-O 3.43Å; C120-Q131 PolarHBondContact O-N 3.19Å; V122-Q131 HydrophobicContact CG2-CB 4.47Å; V122-Q131 VanDerWaalsContact CG2-CD 3.42Å; V122-Q131 HydrophobicContact CG2-CG 3.75Å; V129-Q131 HydrophobicContact CG2-CG 4.47Å
132P93.6Very high91.6Very high16 Ų1646.4 Ų46.410%0.10423%0.232CC..EExtended strand (participates in β ladder)trans-69.5144.3177.829.5-33.9000111T41 I42 F161T41-P132 WeakPolarHBondContact CA-O 3.28Å; T41-P132 WeakPolarHBondContact CB-O 3.43Å; I42-P132 HydrophobicContact CD1-CG 3.63Å; I42-P132 HydrophobicContact CG1-CG 3.95Å; I42-P132 PolarHBondContact N-O 3.29Å; P132-F161 HydrophobicContact CB-CZ 3.98Å; P132-F161 HydrophobicContact CG-CE1 3.76Å; P132-F161 HydrophobicContact CG-CE2 3.96Å; P132-F161 HydrophobicContact CG-CZ 3.38Å
133C95.5Very high91.6Very high0 Ų048.3 Ų48.30%024%0.241CC..SBendtrans-96.6-23.7175.9-68.30000113.6K38 C91 P118 I119K38-C133 HydrophobicContact CD-CB 4.35Å; K38-C133 WeakPolarHBondContact CE-O 3.03Å; K38-C133 PolarHBondContact NZ-O 3.27Å; C91-C133 HydrophobicContact CB-CB 3.53Å; C91-C133 WeakPolarHBondContact CB-SG 2.91Å; C91-C133 WeakPolarHBondContact SG-CB 3.4Å; C91-C133 CovalentContact SG-SG 2.01Å; C91-C133 PolarHBondContact SG-SG 3.07Å; P118-C133 WeakPolarHBondContact O-CB 3.47Å; P118-C133 PolarHBondContact O-N 2.78Å; I119-C133 VanDerWaalsContact C-SG 3.59Å
134F94.4Very high91.8Very high8 Ų851.2 Ų51.24%0.03525%0.249CC..  trans-125.2151.2-177.2-65.3-90.4000110.9L21 I24 M29 Y34 K38 C91 P118L21-F134 HydrophobicContact CB-CE1 4.22Å; L21-F134 HydrophobicContact CD2-CE1 4.06Å; L21-F134 HydrophobicContact CD2-CZ 4.26Å; L21-F134 HydrophobicContact CG-CE1 3.95Å; L21-F134 WeakPolarHBondContact O-CE1 3.41Å; I24-F134 HydrophobicContact CD1-CB 3.71Å; I24-F134 HydrophobicContact CD1-CD1 3.85Å; I24-F134 HydrophobicContact CD1-CD2 3.61Å; I24-F134 HydrophobicContact CD1-CE1 4.36Å; I24-F134 HydrophobicContact CD1-CE2 4.15Å; I24-F134 HydrophobicContact CD1-CG 3.43Å; I24-F134 VanDerWaalsContact CD1-CG 3.43Å; I24-F134 HydrophobicContact CD1-CZ 4.5Å; I24-F134 HydrophobicContact CG1-CB 4.26Å; I24-F134 HydrophobicContact CG1-CD1 4.01Å; I24-F134 HydrophobicContact CG1-CG 4.06Å; M29-F134 HydrophobicContact CE-CB 4.39Å; Y34-F134 HydrophobicContact CD1-CE2 4.3Å; Y34-F134 HydrophobicContact CD2-CE2 4.1Å; Y34-F134 AromaticContact CD2-CZ 3.97Å; Y34-F134 HydrophobicContact CD2-CZ 3.97Å; Y34-F134 HydrophobicContact CE1-CE2 4.15Å; Y34-F134 HydrophobicContact CE1-CZ 4.2Å; Y34-F134 HydrophobicContact CE2-CE1 4.41Å; Y34-F134 AromaticContact CE2-CE2 3.97Å; Y34-F134 HydrophobicContact CE2-CE2 3.97Å; Y34-F134 AromaticContact CE2-CZ 3.45Å; Y34-F134 HydrophobicContact CE2-CZ 3.45Å; Y34-F134 VanDerWaalsContact CE2-CZ 3.45Å; Y34-F134 HydrophobicContact CG-CE2 4.27Å; Y34-F134 AromaticContact CZ-CE2 3.99Å; Y34-F134 AromaticContact CZ-CZ 3.58Å; K38-F134 HydrophobicContact CB-CZ 4.07Å; K38-F134 HydrophobicContact CD-CD1 4.24Å; K38-F134 HydrophobicContact CD-CD2 4.37Å; K38-F134 HydrophobicContact CD-CE1 3.59Å; K38-F134 HydrophobicContact CD-CE2 3.74Å; K38-F134 HydrophobicContact CD-CZ 3.3Å; K38-F134 HydrophobicContact CG-CZ 4.28Å; C91-F134 HydrophobicContact CB-CE2 4.47Å; P118-F134 HydrophobicContact CB-CD2 3.84Å; P118-F134 HydrophobicContact CB-CE2 3.99Å; P118-F134 HydrophobicContact CG-CD2 3.81Å; P118-F134 HydrophobicContact CG-CE2 4.06Å
135R92.8Very high92.3Very high81 Ų8149.2 Ų49.231%0.30624%0.238SC..EExtended strand (participates in β ladder)trans-98.8158.1160.9-64.3-177.9-178.9-171.20.9107.7C23 I24 I42 M140C23-R135 WeakPolarHBondContact CA-O 3.38Å; C23-R135 WeakPolarHBondContact CB-O 3.41Å; I24-R135 PolarHBondContact N-O 3Å; I42-R135 HydrophobicContact CB-CG 4.49Å; I42-R135 HydrophobicContact CG2-CG 3.95Å; R135-M140 HydrophobicContact CB-CG 3.64Å; R135-M140 HydrophobicContact CB-SD 4.44Å; R135-M140 HydrophobicContact CG-CG 4.49Å
136T94.4Very high92.7Very high7 Ų745.3 Ų45.34%0.04322%0.223CC..EExtended strand (participates in β ladder)trans-65148.1165.368.60000109.6I24 R26 M29 E138 D139 M140 T159I24-T136 CarbonylContact O-C 3.53Å; I24-T136 WeakPolarHBondContact O-CA 3.27Å; R26-T136 HydrophobicContact CB-CG2 3.97Å; R26-T136 HydrophobicContact CG-CG2 4.16Å; M29-T136 HydrophobicContact CE-CG2 3.65Å; T136-E138 PolarHBondContact O-N 3.4Å; T136-D139 PolarHBondContact O-N 3.16Å; T136-D139 WeakPolarHBondContact OG1-CB 3.46Å; T136-D139 PolarHBondContact OG1-N 3.49Å; T136-D139 PolarHBondContact OG1-OD2 3.26Å; T136-M140 VanDerWaalsContact O-CG 3.31Å; T136-M140 WeakPolarHBondContact O-CG 3.47Å; T136-M140 PolarHBondContact O-N 2.94Å; T136-T159 WeakPolarHBondContact CG2-OG1 3.04Å
137C94.6Very high93.3Very high0 Ų038.5 Ų38.50%019%0.187CC..Hα-helixtrans-61.7-32176.9-64.60000111.9C23 I24 D25 M140 S141 H232 E234C23-C137 HydrophobicContact CB-CB 3.94Å; C23-C137 WeakPolarHBondContact CB-SG 2.99Å; C23-C137 WeakPolarHBondContact SG-CA 2.99Å; C23-C137 WeakPolarHBondContact SG-CB 3.32Å; C23-C137 CovalentContact SG-SG 2.04Å; C23-C137 PolarHBondContact SG-SG 3.36Å; I24-C137 VanDerWaalsContact C-SG 3.56Å; I24-C137 PolarHBondContact N-SG 2.94Å; I24-C137 PolarHBondContact O-N 2.82Å; D25-C137 VanDerWaalsContact OD1-CB 3.24Å; D25-C137 WeakPolarHBondContact OD1-CB 2.84Å; D25-C137 PolarHBondContact OD1-SG 2.01Å; C137-M140 PolarHBondContact O-N 3.43Å; C137-S141 WeakPolarHBondContact O-CB 3.47Å; C137-S141 PolarHBondContact O-N 3.05Å; C137-S141 PolarHBondContact O-OG 2.97Å; C137-H232 HydrophobicContact CB-CB 4.27Å; C137-H232 WeakPolarHBondContact CB-O 3.31Å; C137-E234 PolarHBondContact SG-N 3.11Å
138E93.7Very high93.9Very high60 Ų6032 Ų3228%0.2816%0.158SC..Hα-helixtrans-65.7-48.4172.7-60.393.514600112.1R26 T136 M140 S141 I142R26-E138 PolarHBondContact N-OE2 2.01Å; T136-E138 PolarHBondContact O-N 3.4Å; E138-M140 VanDerWaalsContact C-N 3.27Å; E138-M140 PolarHBondContact O-N 2.97Å; E138-S141 WeakPolarHBondContact O-CB 3.42Å; E138-S141 PolarHBondContact O-N 3.03Å; E138-S141 VanDerWaalsContact O-N 3.13Å; E138-I142 WeakPolarHBondContact O-CG1 3.44Å; E138-I142 PolarHBondContact O-N 3.23Å
139D94.1Very high94.2Very high2 Ų233.5 Ų33.51%0.01116%0.164CC..Hα-helixtrans-61.3-39.4176.5-68.7-38.9000110.6T136 S141 I142 E143 Y158 T159 G160T136-D139 PolarHBondContact O-N 3.16Å; T136-D139 WeakPolarHBondContact OG1-CB 3.46Å; T136-D139 PolarHBondContact OG1-N 3.49Å; T136-D139 PolarHBondContact OG1-OD2 3.26Å; D139-S141 VanDerWaalsContact C-N 3.34Å; D139-S141 PolarHBondContact O-N 3.27Å; D139-I142 PolarHBondContact O-N 3.31Å; D139-E143 WeakPolarHBondContact O-CB 3.46Å; D139-E143 VanDerWaalsContact O-CG 3.26Å; D139-E143 WeakPolarHBondContact O-CG 3.3Å; D139-E143 PolarHBondContact O-N 3.23Å; D139-Y158 HydrophobicContact CB-CD2 4.46Å; D139-Y158 HydrophobicContact CB-CE2 4.26Å; D139-Y158 WeakPolarHBondContact OD1-CA 3.44Å; D139-Y158 WeakPolarHBondContact OD1-CD2 3.44Å; D139-T159 PolarHBondContact OD1-N 3.3Å; D139-T159 VanDerWaalsContact OD2-C 3.24Å; D139-T159 WeakPolarHBondContact OD2-CA 3.09Å; D139-T159 WeakPolarHBondContact OD2-CB 3.22Å; D139-T159 PolarHBondContact OD2-N 3.15Å; D139-T159 PolarHBondContact OD2-OG1 2.88Å; D139-G160 PolarHBondContact OD1-N 3.45Å; D139-G160 PolarHBondContact OD2-N 3.34Å
140M94.4Very high94.5Very high34 Ų3437 Ų3717%0.16718%0.182CC..Hα-helixtrans-62.7-42.2175-62.7-140.6-3700112.5F22 C23 R135 T136 C137 E138 I142 E143 K144 H232F22-M140 HydrophobicContact CD2-CE 3.36Å; F22-M140 HydrophobicContact CD2-SD 4.35Å; F22-M140 HydrophobicContact CE2-CE 3.19Å; F22-M140 HydrophobicContact CZ-CE 4.35Å; C23-M140 HydrophobicContact CB-CE 3.83Å; C23-M140 HydrophobicContact CB-CG 3.98Å; C23-M140 HydrophobicContact CB-SD 3.81Å; R135-M140 HydrophobicContact CB-CG 3.64Å; R135-M140 HydrophobicContact CB-SD 4.44Å; R135-M140 HydrophobicContact CG-CG 4.49Å; T136-M140 VanDerWaalsContact O-CG 3.31Å; T136-M140 WeakPolarHBondContact O-CG 3.47Å; T136-M140 PolarHBondContact O-N 2.94Å; C137-M140 PolarHBondContact O-N 3.43Å; E138-M140 VanDerWaalsContact C-N 3.27Å; E138-M140 PolarHBondContact O-N 2.97Å; M140-I142 VanDerWaalsContact C-N 3.34Å; M140-E143 PolarHBondContact O-N 3.1Å; M140-K144 VanDerWaalsContact O-CB 3.22Å; M140-K144 WeakPolarHBondContact O-CB 3.44Å; M140-K144 PolarHBondContact O-N 3.05Å; M140-H232 HydrophobicContact CE-CB 4.07Å
141S95.4Very high94.5Very high16 Ų1640.2 Ų40.211%0.11221%0.211CC..Hα-helixtrans-62.3-44.3177.3-57.70000110.7C137 E138 D139 K144 N145 H232C137-S141 WeakPolarHBondContact O-CB 3.47Å; C137-S141 PolarHBondContact O-N 3.05Å; C137-S141 PolarHBondContact O-OG 2.97Å; E138-S141 WeakPolarHBondContact O-CB 3.42Å; E138-S141 PolarHBondContact O-N 3.03Å; E138-S141 VanDerWaalsContact O-N 3.13Å; D139-S141 VanDerWaalsContact C-N 3.34Å; D139-S141 PolarHBondContact O-N 3.27Å; S141-K144 PolarHBondContact O-N 2.95Å; S141-N145 WeakPolarHBondContact O-CB 3.39Å; S141-N145 PolarHBondContact O-N 3.27Å; S141-N145 PolarHBondContact O-ND2 3.37Å; S141-H232 PolarHBondContact OG-N 3.16Å
142I95.6Very high94.6Very high21 Ų2142.5 Ų42.511%0.10823%0.226CC..Hα-helixtrans-61.4-48.1176.6-69.2170.5000110.6E138 D139 M140 N145 N146 I148 Y158 F220E138-I142 WeakPolarHBondContact O-CG1 3.44Å; E138-I142 PolarHBondContact O-N 3.23Å; D139-I142 PolarHBondContact O-N 3.31Å; M140-I142 VanDerWaalsContact C-N 3.34Å; I142-N145 PolarHBondContact O-N 3.33Å; I142-N146 WeakPolarHBondContact O-CA 3.5Å; I142-N146 PolarHBondContact O-N 3Å; I142-I148 HydrophobicContact CD1-CD1 4.32Å; I142-I148 HydrophobicContact CD1-CG1 4.3Å; I142-I148 HydrophobicContact CG1-CG1 4.18Å; I142-I148 HydrophobicContact CG2-CD1 4.24Å; I142-I148 HydrophobicContact CG2-CG1 3.88Å; I142-Y158 HydrophobicContact CD1-CD2 4.22Å; I142-Y158 HydrophobicContact CG2-CD2 4.11Å; I142-Y158 HydrophobicContact CG2-CE2 4.33Å; I142-F220 HydrophobicContact CG2-CD1 3.62Å; I142-F220 HydrophobicContact CG2-CD2 4.27Å; I142-F220 HydrophobicContact CG2-CE1 3.34Å; I142-F220 HydrophobicContact CG2-CE2 4.07Å; I142-F220 HydrophobicContact CG2-CG 4.08Å; I142-F220 HydrophobicContact CG2-CZ 3.62Å
143E94.8Very high94.6Very high43 Ų4342.1 Ų42.120%0.20122%0.223CC..Hα-helixtrans-63.9-42.9179.2-72.6-62158.600112.2D139 M140 N145 N146 Y158 R162D139-E143 WeakPolarHBondContact O-CB 3.46Å; D139-E143 VanDerWaalsContact O-CG 3.26Å; D139-E143 WeakPolarHBondContact O-CG 3.3Å; D139-E143 PolarHBondContact O-N 3.23Å; M140-E143 PolarHBondContact O-N 3.1Å; E143-N145 VanDerWaalsContact C-N 3.35Å; E143-N145 PolarHBondContact O-N 3.42Å; E143-N146 PolarHBondContact O-N 2.97Å; E143-Y158 HydrophobicContact CG-CE2 4.35Å; E143-Y158 WeakPolarHBondContact OE1-CE2 3.47Å; E143-Y158 VanDerWaalsContact OE1-CZ 3.26Å; E143-Y158 PolarHBondContact OE1-OH 3.19Å; E143-R162 IonicContact OE1-NE 3.51Å; E143-R162 PolarHBondContact OE1-NE 3.38Å; E143-R162 IonicContact OE1-NH2 2.78Å; E143-R162 IonicContact OE2-CZ 3.32Å; E143-R162 IonicContact OE2-NE 3.59Å; E143-R162 PolarHBondContact OE2-NE 2.82Å; E143-R162 IonicContact OE2-NH2 3.04Å; E143-R162 PolarHBondContact OE2-NH2 2.94Å
144K95.2Very high94.4Very high144 Ų14446.6 Ų46.663%0.62624%0.244SC*.Hα-helixtrans-64.8-39.9179.2-176.662.7173.7-173.50111.9M140 S141 V230M140-K144 VanDerWaalsContact O-CB 3.22Å; M140-K144 WeakPolarHBondContact O-CB 3.44Å; M140-K144 PolarHBondContact O-N 3.05Å; S141-K144 PolarHBondContact O-N 2.95Å; K144-V230 HydrophobicContact CG-CB 3.78Å; K144-V230 HydrophobicContact CG-CG1 3.91Å; K144-V230 HydrophobicContact CG-CG2 3.98Å
145N96Very high94.3Very high16 Ų1650.4 Ų50.49%0.08627%0.268CS..Hα-helixtrans-80.4-20.9177.5-68.2-51.3000112.6S141 I142 E143 C147 K227 L229 V230S141-N145 WeakPolarHBondContact O-CB 3.39Å; S141-N145 PolarHBondContact O-N 3.27Å; S141-N145 PolarHBondContact O-ND2 3.37Å; I142-N145 PolarHBondContact O-N 3.33Å; E143-N145 VanDerWaalsContact C-N 3.35Å; E143-N145 PolarHBondContact O-N 3.42Å; N145-C147 PolarHBondContact O-N 3.07Å; N145-K227 PolarHBondContact O-NZ 2.9Å; N145-L229 HydrophobicContact CB-CD2 4.28Å; N145-L229 WeakPolarHBondContact OD1-CA 3.33Å; N145-V230 PolarHBondContact ND2-O 3.37Å; N145-V230 PolarHBondContact OD1-N 3.47Å
146N95.8Very high94.2Very high79 Ų7947 Ų4742%0.42226%0.257SS..THydrogen-bonded Turntrans51.730.2-170.8-165.941.8000113.4I142 E143 R162I142-N146 WeakPolarHBondContact O-CA 3.5Å; I142-N146 PolarHBondContact O-N 3Å; E143-N146 PolarHBondContact O-N 2.97Å; N146-R162 VanDerWaalsContact OD1-CZ 3.25Å; N146-R162 PolarHBondContact OD1-NH1 2.79Å; N146-R162 PolarHBondContact OD1-NH2 2.64Å
147C96.2Very high93.9Very high4 Ų450.4 Ų50.43%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-159.9162.1179.766.50000110.2N145 D221 C223 K227N145-C147 PolarHBondContact O-N 3.07Å; C147-D221 CarbonylContact C-O 3.5Å; C147-D221 WeakPolarHBondContact CA-O 3.5Å; C147-D221 HydrophobicContact CB-CB 4.5Å; C147-D221 VanDerWaalsContact CB-O 3.23Å; C147-D221 WeakPolarHBondContact CB-O 3.36Å; C147-C223 HydrophobicContact CB-CB 3.95Å; C147-C223 WeakPolarHBondContact CB-SG 3.49Å; C147-C223 WeakPolarHBondContact SG-CA 3.18Å; C147-C223 WeakPolarHBondContact SG-CB 2.87Å; C147-C223 CovalentContact SG-SG 2.04Å; C147-C223 PolarHBondContact SG-SG 2.85Å; C147-K227 PolarHBondContact SG-NZ 2.95Å; C147-K227 VanDerWaalsContact SG-NZ 3.38Å
148I96.1Very high93.7Very high6 Ų650.8 Ų50.83%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-118.9141.2175.2-57.1175000109.1I142 I153 A156 P205 F220 D221 V222 C223I142-I148 HydrophobicContact CD1-CD1 4.32Å; I142-I148 HydrophobicContact CD1-CG1 4.3Å; I142-I148 HydrophobicContact CG1-CG1 4.18Å; I142-I148 HydrophobicContact CG2-CD1 4.24Å; I142-I148 HydrophobicContact CG2-CG1 3.88Å; I148-I153 HydrophobicContact CB-CB 4.48Å; I148-I153 HydrophobicContact CB-CG1 4.25Å; I148-I153 HydrophobicContact CG2-CB 4.13Å; I148-I153 HydrophobicContact CG2-CG1 4.32Å; I148-A156 HydrophobicContact CD1-CB 3.97Å; I148-A156 HydrophobicContact CG2-CB 3.91Å; I148-P205 VanDerWaalsContact CD1-CD 3.4Å; I148-P205 HydrophobicContact CD1-CG 3.73Å; I148-F220 HydrophobicContact CD1-CB 4.08Å; I148-F220 HydrophobicContact CD1-CD2 3.85Å; I148-F220 HydrophobicContact CD1-CG 4.09Å; I148-F220 HydrophobicContact CG1-CB 4.05Å; I148-F220 HydrophobicContact CG1-CD2 4.48Å; I148-F220 HydrophobicContact CG1-CG 4.24Å; I148-D221 PolarHBondContact N-O 3.32Å; I148-V222 WeakPolarHBondContact O-CA 3.37Å; I148-C223 VanDerWaalsContact C-SG 3.53Å; I148-C223 PolarHBondContact O-N 3.29Å
149E94.5Very high93.3Very high77 Ų7749.3 Ų49.336%0.3628%0.275SS..  trans-61.1136.5179.6-60.6-171.1-130.500110.7A151 T152 I153 L229 R231E149-A151 PolarHBondContact O-N 2.88Å; E149-A151 VanDerWaalsContact O-N 3.08Å; E149-T152 PolarHBondContact O-N 3.27Å; E149-T152 PolarHBondContact O-OG1 3.35Å; E149-I153 PolarHBondContact O-N 3.37Å; E149-L229 HydrophobicContact CG-CD1 3.4Å; E149-L229 VanDerWaalsContact CG-CD1 3.4Å; E149-L229 WeakPolarHBondContact OE1-CD1 3.03Å; E149-R231 IonicContact OE1-CZ 3.05Å; E149-R231 IonicContact OE1-NE 3.38Å; E149-R231 IonicContact OE1-NH2 3.78Å; E149-R231 PolarHBondContact OE1-NH2 3.27Å; E149-R231 IonicContact OE2-NH2 3.69Å; E149-R231 PolarHBondContact OE2-NH2 3.32Å
150N93.7Very high93Very high117 Ų11749.3 Ų49.363%0.62628%0.275SS*.THydrogen-bonded Turntrans-56-31.8-176.8-169.451.1000113.2T152 V222N150-T152 VanDerWaalsContact C-N 3.28Å; N150-T152 PolarHBondContact O-N 3.18Å; N150-V222 HydrophobicContact CB-CG1 3.64Å
151A93.3Very high92.7Very high97 Ų9749.3 Ų49.380%0.80227%0.274SS*.THydrogen-bonded Turntrans-70-23.1-179.300000113.6E149E149-A151 PolarHBondContact O-N 2.88Å; E149-A151 VanDerWaalsContact O-N 3.08Å
152T93.2Very high92.4Very high65 Ų6549.4 Ų49.440%0.39927%0.272SS..THydrogen-bonded Turntrans-120.5-4.9-17458.10000113.1E149 N150 Q154 T155 A156E149-T152 PolarHBondContact O-N 3.27Å; E149-T152 PolarHBondContact O-OG1 3.35Å; N150-T152 VanDerWaalsContact C-N 3.28Å; N150-T152 PolarHBondContact O-N 3.18Å; T152-Q154 VanDerWaalsContact C-N 3.29Å; T152-Q154 PolarHBondContact O-N 3.19Å; T152-T155 CarbonylContact O-C 3.05Å; T152-T155 PolarHBondContact O-N 3.33Å; T152-T155 VanDerWaalsContact O-N 3.1Å; T152-T155 PolarHBondContact O-OG1 2.96Å; T152-A156 WeakPolarHBondContact O-CA 3.35Å; T152-A156 WeakPolarHBondContact O-CB 3.42Å; T152-A156 PolarHBondContact O-N 3.14Å
153I93.3Very high92.1Very high7 Ų751.8 Ų51.84%0.03628%0.284CS..G310 helixtrans-54.7-44.2-172.2-168.4166.3000112.9I148 E149 T155 A156 N197 H203 G204 V222I148-I153 HydrophobicContact CB-CB 4.48Å; I148-I153 HydrophobicContact CB-CG1 4.25Å; I148-I153 HydrophobicContact CG2-CB 4.13Å; I148-I153 HydrophobicContact CG2-CG1 4.32Å; E149-I153 PolarHBondContact O-N 3.37Å; I153-T155 VanDerWaalsContact C-N 3.34Å; I153-T155 PolarHBondContact O-N 3.31Å; I153-A156 WeakPolarHBondContact O-CB 3.14Å; I153-A156 PolarHBondContact O-N 3.12Å; I153-N197 PolarHBondContact O-ND2 3.29Å; I153-H203 WeakPolarHBondContact CD1-O 3.29Å; I153-G204 WeakPolarHBondContact O-CA 3.43Å; I153-V222 HydrophobicContact CD1-CB 4.41Å; I153-V222 HydrophobicContact CD1-CG2 3.41Å; I153-V222 VanDerWaalsContact CD1-CG2 3.41Å
154Q91.9Very high91.8Very high95 Ų9553.5 Ų53.544%0.44429%0.292SS..G310 helixtrans-67-34.6-178-171.3175.28.700113.1T152 N197 E200T152-Q154 VanDerWaalsContact C-N 3.29Å; T152-Q154 PolarHBondContact O-N 3.19Å; Q154-N197 PolarHBondContact O-ND2 2.73Å; Q154-E200 HydrophobicContact CG-CB 4.1Å; Q154-E200 VanDerWaalsContact CG-O 3.24Å; Q154-E200 WeakPolarHBondContact CG-O 3.24Å; Q154-E200 PolarHBondContact NE2-O 2.86Å; Q154-E200 WeakPolarHBondContact O-CA 3.39Å
155T90.6Very high91.6Very high87 Ų8746.7 Ų46.753%0.53426%0.263SS..G310 helixtrans-101.36.7-178.356.40000112.9T152 I153 V157T152-T155 CarbonylContact O-C 3.05Å; T152-T155 PolarHBondContact O-N 3.33Å; T152-T155 VanDerWaalsContact O-N 3.1Å; T152-T155 PolarHBondContact O-OG1 2.96Å; I153-T155 VanDerWaalsContact C-N 3.34Å; I153-T155 PolarHBondContact O-N 3.31Å; T155-V157 PolarHBondContact O-N 3.43Å
156A91.2Very high91.4Very high11 Ų1150.6 Ų50.69%0.09128%0.279CS..  trans-65.5121.1-175.900000110.5I148 T152 I153 N197 P205I148-A156 HydrophobicContact CD1-CB 3.97Å; I148-A156 HydrophobicContact CG2-CB 3.91Å; T152-A156 WeakPolarHBondContact O-CA 3.35Å; T152-A156 WeakPolarHBondContact O-CB 3.42Å; T152-A156 PolarHBondContact O-N 3.14Å; I153-A156 WeakPolarHBondContact O-CB 3.14Å; I153-A156 PolarHBondContact O-N 3.12Å; A156-N197 WeakPolarHBondContact O-CB 3.46Å; A156-N197 PolarHBondContact O-ND2 3.19Å; A156-N197 VanDerWaalsContact O-ND2 3.07Å; A156-P205 HydrophobicContact CB-CG 4.45Å
157V88.2Confident91.1Very high78 Ų7851.1 Ų51.147%0.47329%0.286SS..  trans-95.798.7173.2-1800000107.7T155 T159T155-V157 PolarHBondContact O-N 3.43Å; V157-T159 HydrophobicContact CG1-CG2 4.14Å
158Y89.8Confident90.7Very high7 Ų753.4 Ų53.43%0.02731%0.31CS..  trans-95.8119.3173177.3-95.4000109.7D139 I142 E143 G160 F161 R162 C195 P205 F220D139-Y158 HydrophobicContact CB-CD2 4.46Å; D139-Y158 HydrophobicContact CB-CE2 4.26Å; D139-Y158 WeakPolarHBondContact OD1-CA 3.44Å; D139-Y158 WeakPolarHBondContact OD1-CD2 3.44Å; I142-Y158 HydrophobicContact CD1-CD2 4.22Å; I142-Y158 HydrophobicContact CG2-CD2 4.11Å; I142-Y158 HydrophobicContact CG2-CE2 4.33Å; E143-Y158 HydrophobicContact CG-CE2 4.35Å; E143-Y158 WeakPolarHBondContact OE1-CE2 3.47Å; E143-Y158 VanDerWaalsContact OE1-CZ 3.26Å; E143-Y158 PolarHBondContact OE1-OH 3.19Å; Y158-G160 WeakPolarHBondContact CE1-O 2.9Å; Y158-G160 WeakPolarHBondContact OH-CA 3.36Å; Y158-F161 PolarHBondContact OH-N 3.05Å; Y158-F161 VanDerWaalsContact OH-N 3.13Å; Y158-R162 HydrophobicContact CE1-CB 4.11Å; Y158-R162 WeakPolarHBondContact OH-CB 3.4Å; Y158-R162 PolarHBondContact OH-N 2.87Å; Y158-C195 HydrophobicContact CD1-CB 3.59Å; Y158-C195 WeakPolarHBondContact CD1-O 3.35Å; Y158-C195 HydrophobicContact CE1-CB 3.69Å; Y158-P205 HydrophobicContact CG-CG 4.4Å; Y158-F220 HydrophobicContact CD1-CE2 4.17Å; Y158-F220 HydrophobicContact CD1-CZ 4.49Å; Y158-F220 AromaticContact CD2-CE2 3.85Å; Y158-F220 HydrophobicContact CD2-CE2 3.85Å; Y158-F220 AromaticContact CD2-CZ 3.76Å; Y158-F220 HydrophobicContact CD2-CZ 3.76Å; Y158-F220 HydrophobicContact CE1-CE2 4.28Å; Y158-F220 HydrophobicContact CE1-CZ 4.23Å; Y158-F220 HydrophobicContact CE2-CE1 4.4Å; Y158-F220 AromaticContact CE2-CE2 3.95Å; Y158-F220 HydrophobicContact CE2-CE2 3.95Å; Y158-F220 AromaticContact CE2-CZ 3.42Å; Y158-F220 HydrophobicContact CE2-CZ 3.42Å; Y158-F220 VanDerWaalsContact CE2-CZ 3.42Å; Y158-F220 AromaticContact CG-CE2 3.94Å; Y158-F220 HydrophobicContact CG-CE2 3.94Å; Y158-F220 HydrophobicContact CG-CZ 4.27Å; Y158-F220 AromaticContact CZ-CZ 3.68Å
159T87.1Confident90.1Very high30 Ų3056.2 Ų56.218%0.18432%0.322CS..  trans-109.11.6179.946.70000112.9T136 D139 V157T136-T159 WeakPolarHBondContact CG2-OG1 3.04Å; D139-T159 PolarHBondContact OD1-N 3.3Å; D139-T159 VanDerWaalsContact OD2-C 3.24Å; D139-T159 WeakPolarHBondContact OD2-CA 3.09Å; D139-T159 WeakPolarHBondContact OD2-CB 3.22Å; D139-T159 PolarHBondContact OD2-N 3.15Å; D139-T159 PolarHBondContact OD2-OG1 2.88Å; V157-T159 HydrophobicContact CG1-CG2 4.14Å
160G86.9Confident89.1Confident1 Ų157.7 Ų57.71%0.0134%0.338CS..SBendtrans-70.4-169179.500000114.4D139 Y158 R196D139-G160 PolarHBondContact OD1-N 3.45Å; D139-G160 PolarHBondContact OD2-N 3.34Å; Y158-G160 WeakPolarHBondContact CE1-O 2.9Å; Y158-G160 WeakPolarHBondContact OH-CA 3.36Å; G160-R196 PolarHBondContact O-NH1 3.28Å
161F87.5Confident88.1Confident34 Ų3452.9 Ų52.915%0.14931%0.311CS..  trans-115.112.3-163.7-56-87000113.6I42 Y43 I113 P132 Y158 N163 Y194I42-F161 HydrophobicContact CD1-CB 4.49Å; I42-F161 HydrophobicContact CD1-CD1 4.28Å; I42-F161 HydrophobicContact CD1-CD2 3.13Å; I42-F161 HydrophobicContact CD1-CE1 4.4Å; I42-F161 HydrophobicContact CD1-CE2 3.29Å; I42-F161 HydrophobicContact CD1-CG 3.7Å; I42-F161 HydrophobicContact CD1-CZ 3.97Å; Y43-F161 WeakPolarHBondContact OH-CB 3.33Å; Y43-F161 WeakPolarHBondContact OH-CD1 3.08Å; Y43-F161 WeakPolarHBondContact OH-CG 3.47Å; I113-F161 HydrophobicContact CG2-CE1 4.38Å; P132-F161 HydrophobicContact CB-CZ 3.98Å; P132-F161 HydrophobicContact CG-CE1 3.76Å; P132-F161 HydrophobicContact CG-CE2 3.96Å; P132-F161 HydrophobicContact CG-CZ 3.38Å; Y158-F161 PolarHBondContact OH-N 3.05Å; Y158-F161 VanDerWaalsContact OH-N 3.13Å; F161-N163 PolarHBondContact O-N 3.01Å; F161-Y194 HydrophobicContact CB-CD1 4.27Å; F161-Y194 HydrophobicContact CB-CE1 4.1Å; F161-Y194 HydrophobicContact CD1-CD2 4.24Å; F161-Y194 HydrophobicContact CD1-CE1 4.26Å; F161-Y194 AromaticContact CD1-CE2 3.73Å; F161-Y194 HydrophobicContact CD1-CE2 3.73Å; F161-Y194 AromaticContact CD1-CZ 3.76Å; F161-Y194 HydrophobicContact CE1-CE2 4.29Å; F161-Y194 VanDerWaalsContact O-CD1 3.23Å; F161-Y194 WeakPolarHBondContact O-CD1 3.15Å
162R90.2Very high87.2Confident19 Ų1951.7 Ų51.77%0.07229%0.288CS..  trans-62.1131.2175.4179.2177.9-67.4-143.7-5.8110.8E143 N146 Y158 Y194 C195 C219 F220E143-R162 IonicContact OE1-NE 3.51Å; E143-R162 PolarHBondContact OE1-NE 3.38Å; E143-R162 IonicContact OE1-NH2 2.78Å; E143-R162 IonicContact OE2-CZ 3.32Å; E143-R162 IonicContact OE2-NE 3.59Å; E143-R162 PolarHBondContact OE2-NE 2.82Å; E143-R162 IonicContact OE2-NH2 3.04Å; E143-R162 PolarHBondContact OE2-NH2 2.94Å; N146-R162 VanDerWaalsContact OD1-CZ 3.25Å; N146-R162 PolarHBondContact OD1-NH1 2.79Å; N146-R162 PolarHBondContact OD1-NH2 2.64Å; Y158-R162 HydrophobicContact CE1-CB 4.11Å; Y158-R162 WeakPolarHBondContact OH-CB 3.4Å; Y158-R162 PolarHBondContact OH-N 2.87Å; R162-Y194 CarbonylContact O-C 3.59Å; R162-Y194 VanDerWaalsContact O-CA 3.26Å; R162-Y194 WeakPolarHBondContact O-CA 3.09Å; R162-C195 PolarHBondContact O-N 3.47Å; R162-C195 PolarHBondContact O-SG 3.08Å; R162-C195 VanDerWaalsContact O-SG 3.38Å; R162-C219 PolarHBondContact NH1-O 3.27Å; R162-F220 HydrophobicContact CB-CZ 4.36Å
163N88.7Confident86.3Confident70 Ų7052.5 Ų52.537%0.37428%0.284SS..  trans-133.227.3-176.467.1-9.9000113.3F161 Y171 N193 Y194F161-N163 PolarHBondContact O-N 3.01Å; N163-Y171 VanDerWaalsContact C-CG 3.43Å; N163-Y171 HydrophobicContact CB-CD1 4.42Å; N163-Y171 HydrophobicContact CB-CG 4.46Å; N163-Y171 WeakPolarHBondContact O-CD2 3.47Å; N163-Y171 WeakPolarHBondContact O-CE2 3.25Å; N163-N193 WeakPolarHBondContact CA-O 3.41Å; N163-N193 WeakPolarHBondContact CB-O 3.33Å; N163-Y194 HydrophobicContact CB-CD1 4.26Å
164H89.2Confident85.4Confident79 Ų7952.6 Ų52.637%0.36628%0.284SS..BIsolated β-bridgetrans-141.2145.4174.460.3-90000111.4K169 Y171H164-K169 WeakPolarHBondContact CA-O 3.48Å; H164-Y171 VanDerWaalsContact CA-CD2 3.49Å; H164-Y171 HydrophobicContact CB-CE2 4.46Å; H164-Y171 PolarHBondContact N-OH 3.38Å; H164-Y171 WeakPolarHBondContact O-CE2 3.43Å; H164-Y171 PolarHBondContact O-OH 3.19Å
165T90.6Very high84.3Confident2 Ų251.8 Ų51.81%0.01228%0.282CS..  trans-76.8173.2-167.761.90000108.3T167 G168 K169 Y171 C207 V209 E217T165-T167 PolarHBondContact O-N 3.34Å; T165-T167 VanDerWaalsContact O-N 3.16Å; T165-T167 PolarHBondContact OG1-N 3.08Å; T165-T167 PolarHBondContact OG1-OG1 3.36Å; T165-T167 VanDerWaalsContact OG1-OG1 3.06Å; T165-G168 PolarHBondContact O-N 3.08Å; T165-G168 PolarHBondContact OG1-N 3.35Å; T165-K169 HydrophobicContact CG2-CB 4.1Å; T165-K169 PolarHBondContact N-O 2.77Å; T165-K169 VanDerWaalsContact N-O 3.09Å; T165-K169 PolarHBondContact OG1-N 2.81Å; T165-Y171 HydrophobicContact CG2-CD2 4.36Å; T165-Y171 HydrophobicContact CG2-CE2 3.7Å; T165-C207 WeakPolarHBondContact CG2-SG 3.41Å; T165-V209 HydrophobicContact CG2-CG2 3.52Å; T165-E217 WeakPolarHBondContact CB-OE1 3.49Å; T165-E217 WeakPolarHBondContact CB-OE2 3.35Å; T165-E217 HydrophobicContact CG2-CB 3.73Å; T165-E217 HydrophobicContact CG2-CG 4.07Å; T165-E217 WeakPolarHBondContact CG2-OE2 3.48Å; T165-E217 VanDerWaalsContact OG1-CD 3.28Å; T165-E217 PolarHBondContact OG1-OE1 3.11Å; T165-E217 PolarHBondContact OG1-OE2 3.05Å; T165-E217 VanDerWaalsContact OG1-OE2 3.1Å
166K92.3Very high83.2Confident97 Ų9751.9 Ų51.942%0.42228%0.277SS..THydrogen-bonded Turntrans-57.8-26.6169.567.9-179.7-173.6168.60112.9A218 D221K166-A218 HydrophobicContact CD-CB 4.28Å; K166-A218 WeakPolarHBondContact CG-O 3.46Å; K166-A218 PolarHBondContact N-O 3.45Å; K166-D221 WeakPolarHBondContact CD-OD1 3.17Å; K166-D221 IonicContact NZ-OD1 3.39Å
167T89.2Confident81.8Confident91 Ų9155 Ų5556%0.55829%0.286SS*.THydrogen-bonded Turntrans-91.15.6172.164.50000114.4T165 E217T165-T167 PolarHBondContact O-N 3.34Å; T165-T167 VanDerWaalsContact O-N 3.16Å; T165-T167 PolarHBondContact OG1-N 3.08Å; T165-T167 PolarHBondContact OG1-OG1 3.36Å; T165-T167 VanDerWaalsContact OG1-OG1 3.06Å; T167-E217 VanDerWaalsContact CB-OE1 3.27Å; T167-E217 WeakPolarHBondContact CB-OE1 3.27Å; T167-E217 WeakPolarHBondContact CG2-OE1 3.12Å; T167-E217 PolarHBondContact N-OE1 3.37Å; T167-E217 PolarHBondContact OG1-OE1 3.07Å; T167-E217 PolarHBondContact OG1-OE2 3.1Å; T167-E217 VanDerWaalsContact OG1-OE2 3.08Å
168G87.3Confident80Confident52 Ų5257.8 Ų57.854%0.53630%0.303SS..  trans80.610.2175.900000115.3T165T165-G168 PolarHBondContact O-N 3.08Å; T165-G168 PolarHBondContact OG1-N 3.35Å
169K83.9Confident78.2Confident64 Ų6458.8 Ų58.828%0.27831%0.309SS..PPolyproline II helixtrans-69.7136.5176.9-64.3-177179.3178.50110.3H164 T165 V209 D211H164-K169 WeakPolarHBondContact CA-O 3.48Å; T165-K169 HydrophobicContact CG2-CB 4.1Å; T165-K169 PolarHBondContact N-O 2.77Å; T165-K169 VanDerWaalsContact N-O 3.09Å; T165-K169 PolarHBondContact OG1-N 2.81Å; K169-V209 HydrophobicContact CB-CG1 4.06Å; K169-V209 HydrophobicContact CD-CG1 3.51Å; K169-V209 HydrophobicContact CG-CG1 4.42Å; K169-D211 IonicContact NZ-OD2 2.7Å; K169-D211 PolarHBondContact NZ-OD2 3.4Å
170P73.8Confident76.4Confident108 Ų10865.5 Ų65.570%0.70134%0.344SS*.BIsolated β-bridgetrans-72.3152.2179.330.8-35.3000111.2
171Y72Confident74.8Confident16 Ų1670.4 Ų70.46%0.06336%0.362CS..PPolyproline II helixtrans-89.3162-170.5-74.1-152.8000111.8N163 H164 T165 N193 C195 C207 C219N163-Y171 VanDerWaalsContact C-CG 3.43Å; N163-Y171 HydrophobicContact CB-CD1 4.42Å; N163-Y171 HydrophobicContact CB-CG 4.46Å; N163-Y171 WeakPolarHBondContact O-CD2 3.47Å; N163-Y171 WeakPolarHBondContact O-CE2 3.25Å; H164-Y171 VanDerWaalsContact CA-CD2 3.49Å; H164-Y171 HydrophobicContact CB-CE2 4.46Å; H164-Y171 PolarHBondContact N-OH 3.38Å; H164-Y171 WeakPolarHBondContact O-CE2 3.43Å; H164-Y171 PolarHBondContact O-OH 3.19Å; T165-Y171 HydrophobicContact CG2-CD2 4.36Å; T165-Y171 HydrophobicContact CG2-CE2 3.7Å; Y171-N193 WeakPolarHBondContact CD1-O 3.46Å; Y171-C195 VanDerWaalsContact CE1-SG 3.55Å; Y171-C195 PolarHBondContact OH-SG 2.94Å; Y171-C207 HydrophobicContact CD1-CB 3.05Å; Y171-C207 VanDerWaalsContact CD1-SG 3.58Å; Y171-C207 HydrophobicContact CD2-CB 4.05Å; Y171-C207 WeakPolarHBondContact CD2-SG 3.46Å; Y171-C207 HydrophobicContact CE1-CB 3.04Å; Y171-C207 WeakPolarHBondContact CE1-SG 3.28Å; Y171-C207 HydrophobicContact CE2-CB 3.89Å; Y171-C207 WeakPolarHBondContact CE2-SG 3.24Å; Y171-C207 HydrophobicContact CG-CB 3.69Å; Y171-C219 PolarHBondContact OH-SG 3.05Å
172K75.1Confident73.1Confident73 Ų7378.5 Ų78.532%0.31740%0.398SS..  trans-108.5144.4164.9-69.4-71.1-154.8166.80109.9E176 Y208 F210K172-E176 VanDerWaalsContact CD-OE2 3.24Å; K172-E176 WeakPolarHBondContact CD-OE2 3.47Å; K172-E176 IonicContact NZ-OE2 2.79Å; K172-E176 PolarHBondContact NZ-OE2 2.83Å; K172-Y208 PolarHBondContact N-O 3.26Å; K172-F210 HydrophobicContact CB-CD2 4.32Å; K172-F210 HydrophobicContact CB-CE2 3.9Å; K172-F210 HydrophobicContact CD-CD2 3.67Å; K172-F210 HydrophobicContact CD-CE2 3.48Å; K172-F210 VanDerWaalsContact CD-CE2 3.48Å; K172-F210 HydrophobicContact CG-CD2 3.32Å; K172-F210 HydrophobicContact CG-CE2 3.3Å; K172-F210 HydrophobicContact CG-CZ 4.49Å
173R74.7Confident71.4Confident82 Ų8278.8 Ų78.831%0.30940%0.401SS..  trans-62.8148.3179.5-6316647.3142.9-8.5109.8D175 E176 P190 N193R173-D175 WeakPolarHBondContact CB-OD1 3.38Å; R173-D175 IonicContact CZ-OD1 3.61Å; R173-D175 IonicContact CZ-OD2 2.76Å; R173-D175 IonicContact NE-OD1 2.83Å; R173-D175 PolarHBondContact NE-OD1 2.96Å; R173-D175 IonicContact NE-OD2 3.4Å; R173-D175 IonicContact NH2-OD1 3.66Å; R173-D175 PolarHBondContact NH2-OD1 3.14Å; R173-D175 IonicContact NH2-OD2 3.9Å; R173-D175 PolarHBondContact NH2-OD2 3.19Å; R173-D175 PolarHBondContact O-N 3.34Å; R173-E176 HydrophobicContact CB-CG 4.14Å; R173-E176 PolarHBondContact O-N 2.94Å; R173-E176 VanDerWaalsContact O-N 3.11Å; R173-P190 PolarHBondContact NH2-O 3.45Å; R173-N193 HydrophobicContact CG-CB 4.32Å
174W73.8Confident69.7Low9 Ų977.4 Ų77.43%0.03440%0.396CS..THydrogen-bonded Turntrans-62.7-22.6-178.6-70.995.8000113.1T188 H192 Y194 R196 W206 Y208W174-T188 HydrophobicContact CB-CG2 3.99Å; W174-T188 HydrophobicContact CD2-CG2 3.77Å; W174-T188 HydrophobicContact CE3-CG2 3.68Å; W174-T188 HydrophobicContact CG-CG2 3.88Å; W174-T188 HydrophobicContact CZ3-CG2 4.48Å; W174-H192 AromaticContact CD1-CE1 3.61Å; W174-H192 AromaticContact CD1-ND1 3.81Å; W174-H192 VanDerWaalsContact CD1-O 3.3Å; W174-H192 PolarHBondContact N-O 3.3Å; W174-H192 AromaticContact NE1-CE1 3.74Å; W174-Y194 PolarHBondContact NE1-O 3.07Å; W174-R196 HydrophobicContact CH2-CB 4.05Å; W174-R196 HydrophobicContact CZ2-CB 3.63Å; W174-R196 HydrophobicContact CZ2-CG 3.98Å; W174-W206 HydrophobicContact CH2-CD2 4.04Å; W174-W206 AromaticContact CH2-CE3 3.82Å; W174-W206 HydrophobicContact CH2-CE3 3.82Å; W174-W206 AromaticContact CH2-CH2 3.89Å; W174-W206 HydrophobicContact CH2-CH2 3.89Å; W174-W206 HydrophobicContact CH2-CZ2 4.07Å; W174-W206 AromaticContact CH2-CZ3 3.74Å; W174-W206 HydrophobicContact CH2-CZ3 3.74Å; W174-W206 WeakPolarHBondContact CZ2-O 3.47Å; W174-W206 HydrophobicContact CZ3-CE3 4.27Å; W174-W206 AromaticContact CZ3-CH2 3.55Å; W174-W206 HydrophobicContact CZ3-CH2 3.55Å; W174-W206 AromaticContact CZ3-CZ2 3.96Å; W174-W206 HydrophobicContact CZ3-CZ2 3.96Å; W174-W206 AromaticContact CZ3-CZ3 3.7Å; W174-W206 HydrophobicContact CZ3-CZ3 3.7Å; W174-Y208 HydrophobicContact CD2-CD2 4.45Å; W174-Y208 HydrophobicContact CD2-CE2 4.23Å; W174-Y208 HydrophobicContact CE3-CD2 4Å; W174-Y208 AromaticContact CE3-CE2 3.4Å; W174-Y208 HydrophobicContact CE3-CE2 3.4Å; W174-Y208 HydrophobicContact CZ3-CD2 4.22Å; W174-Y208 AromaticContact CZ3-CE2 3.61Å; W174-Y208 HydrophobicContact CZ3-CE2 3.61Å
175D68.2Low67.9Low78 Ų7878.1 Ų78.142%0.41740%0.396SS..THydrogen-bonded Turntrans-89.8-12177.769.6-36.2000114.4R173 R177R173-D175 WeakPolarHBondContact CB-OD1 3.38Å; R173-D175 IonicContact CZ-OD1 3.61Å; R173-D175 IonicContact CZ-OD2 2.76Å; R173-D175 IonicContact NE-OD1 2.83Å; R173-D175 PolarHBondContact NE-OD1 2.96Å; R173-D175 IonicContact NE-OD2 3.4Å; R173-D175 IonicContact NH2-OD1 3.66Å; R173-D175 PolarHBondContact NH2-OD1 3.14Å; R173-D175 IonicContact NH2-OD2 3.9Å; R173-D175 PolarHBondContact NH2-OD2 3.19Å; R173-D175 PolarHBondContact O-N 3.34Å; D175-R177 PolarHBondContact O-N 3.41Å
176E66.9Low65.9Low89 Ų8980.9 Ų80.942%0.41641%0.409SS..SBendtrans-71.1-12.4176-82.6-178.4-122.100112.5K172 R173K172-E176 VanDerWaalsContact CD-OE2 3.24Å; K172-E176 WeakPolarHBondContact CD-OE2 3.47Å; K172-E176 IonicContact NZ-OE2 2.79Å; K172-E176 PolarHBondContact NZ-OE2 2.83Å; R173-E176 HydrophobicContact CB-CG 4.14Å; R173-E176 PolarHBondContact O-N 2.94Å; R173-E176 VanDerWaalsContact O-N 3.11Å
177R61.9Low64Low75 Ų7579.3 Ų79.328%0.28340%0.404SS..SBendtrans-101.5124174.7-137.5-166.2-175.6-155.3-5.4110.6D175 L179 Y208 E215D175-R177 PolarHBondContact O-N 3.41Å; R177-L179 HydrophobicContact CB-CG 4.35Å; R177-L179 PolarHBondContact O-N 2.96Å; R177-Y208 HydrophobicContact CB-CE2 4.49Å; R177-E215 IonicContact CZ-OE1 3.27Å; R177-E215 IonicContact CZ-OE2 3.74Å; R177-E215 IonicContact NH1-OE1 2.6Å; R177-E215 IonicContact NH1-OE2 3.91Å; R177-E215 PolarHBondContact NH1-OE2 3.24Å; R177-E215 IonicContact NH2-OE1 3.71Å; R177-E215 PolarHBondContact NH2-OE1 3.05Å; R177-E215 IonicContact NH2-OE2 2.71Å; R177-E215 PolarHBondContact NH2-OE2 3.15Å
178V51Low62.3Low138 Ų13875.6 Ų75.684%0.83638%0.381SS*.  trans-71.683.6161.1-173.70000106.8
179L52.6Low60.6Low27 Ų2773.1 Ų73.114%0.14136%0.356CS..  trans-72.8132.8164.6-68.4173.4000107.9R177 Y181 V183 Y208R177-L179 HydrophobicContact CB-CG 4.35Å; R177-L179 PolarHBondContact O-N 2.96Å; L179-Y181 HydrophobicContact CB-CD1 4.2Å; L179-Y181 HydrophobicContact CB-CD2 4.33Å; L179-Y181 HydrophobicContact CB-CE1 4.14Å; L179-Y181 HydrophobicContact CB-CE2 4.25Å; L179-Y181 HydrophobicContact CB-CG 4.31Å; L179-Y181 WeakPolarHBondContact CB-O 3.45Å; L179-Y181 HydrophobicContact CD1-CD2 4.2Å; L179-Y181 HydrophobicContact CD1-CE1 4.35Å; L179-Y181 HydrophobicContact CD1-CE2 3.47Å; L179-Y181 VanDerWaalsContact CD1-CE2 3.47Å; L179-Y181 HydrophobicContact CD2-CE1 3.82Å; L179-Y181 HydrophobicContact CD2-CE2 4.43Å; L179-Y181 HydrophobicContact CG-CE1 4.33Å; L179-Y181 HydrophobicContact CG-CE2 4.27Å; L179-Y181 PolarHBondContact O-N 2.92Å; L179-V183 HydrophobicContact CD1-CG2 3.21Å; L179-Y208 WeakPolarHBondContact CD1-OH 3.22Å; L179-Y208 WeakPolarHBondContact CD2-OH 3.35Å
180D49.1Very low59Low172 Ų17273.1 Ų73.192%0.9236%0.363SS*.SBendtrans-61.5-8.6171.5-86.2-23.6000112.8
181Y53.7Low58.4Low103 Ų10373.5 Ų73.540%0.40436%0.358SS..SBendtrans-116.2137172.556.6-89.1000111L179 V183 Y198L179-Y181 HydrophobicContact CB-CD1 4.2Å; L179-Y181 HydrophobicContact CB-CD2 4.33Å; L179-Y181 HydrophobicContact CB-CE1 4.14Å; L179-Y181 HydrophobicContact CB-CE2 4.25Å; L179-Y181 HydrophobicContact CB-CG 4.31Å; L179-Y181 WeakPolarHBondContact CB-O 3.45Å; L179-Y181 HydrophobicContact CD1-CD2 4.2Å; L179-Y181 HydrophobicContact CD1-CE1 4.35Å; L179-Y181 HydrophobicContact CD1-CE2 3.47Å; L179-Y181 VanDerWaalsContact CD1-CE2 3.47Å; L179-Y181 HydrophobicContact CD2-CE1 3.82Å; L179-Y181 HydrophobicContact CD2-CE2 4.43Å; L179-Y181 HydrophobicContact CG-CE1 4.33Å; L179-Y181 HydrophobicContact CG-CE2 4.27Å; L179-Y181 PolarHBondContact O-N 2.92Å; Y181-V183 HydrophobicContact CD2-CG2 4.26Å; Y181-V183 HydrophobicContact CE2-CG2 4Å; Y181-V183 PolarHBondContact O-N 3.16Å; Y181-V183 VanDerWaalsContact O-N 3.12Å; Y181-Y198 HydrophobicContact CD2-CE1 4.11Å; Y181-Y198 HydrophobicContact CE2-CD1 4.25Å; Y181-Y198 AromaticContact CE2-CE1 3.54Å; Y181-Y198 HydrophobicContact CE2-CE1 3.54Å
182K51.4Low58.3Low204 Ų20472.9 Ų72.989%0.88736%0.356SS*.  trans-65.3111169.6-66.9-176.4179.9-177.80108.3
183V54.1Low58.5Low25 Ų2571.4 Ų71.415%0.15235%0.351CS..  trans-67.9137167.9-159.50000108.2L179 Y181 W185 T188 Y198L179-V183 HydrophobicContact CD1-CG2 3.21Å; Y181-V183 HydrophobicContact CD2-CG2 4.26Å; Y181-V183 HydrophobicContact CE2-CG2 4Å; Y181-V183 PolarHBondContact O-N 3.16Å; Y181-V183 VanDerWaalsContact O-N 3.12Å; V183-W185 PolarHBondContact O-N 3.41Å; V183-W185 VanDerWaalsContact O-N 3.1Å; V183-T188 HydrophobicContact CB-CG2 3.86Å; V183-T188 HydrophobicContact CG1-CG2 3.27Å; V183-T188 HydrophobicContact CG2-CG2 4.44Å; V183-Y198 HydrophobicContact CG1-CD1 4.02Å; V183-Y198 HydrophobicContact CG1-CD2 3.94Å; V183-Y198 HydrophobicContact CG1-CE1 4.11Å; V183-Y198 HydrophobicContact CG1-CE2 4.03Å; V183-Y198 HydrophobicContact CG1-CG 3.93Å
184P54.1Low59.1Low41 Ų4169.9 Ų69.927%0.26635%0.346SS..  trans-53.6120.7170.6-25.135.1000109.3E186 I187 T188 Y198P184-E186 WeakPolarHBondContact CA-OE2 3.33Å; P184-E186 WeakPolarHBondContact CB-OE2 3.49Å; P184-E186 PolarHBondContact O-N 2.94Å; P184-I187 HydrophobicContact CB-CD1 4.08Å; P184-I187 HydrophobicContact CB-CG1 4.22Å; P184-I187 HydrophobicContact CG-CD1 4.2Å; P184-I187 PolarHBondContact O-N 2.97Å; P184-T188 PolarHBondContact O-N 2.95Å; P184-T188 PolarHBondContact O-OG1 3.43Å; P184-Y198 HydrophobicContact CG-CE2 3.87Å
185W49.4Very low59.8Low94 Ų9469.4 Ų69.436%0.35634%0.344SS..Hα-helixtrans-67.7-18.6-178.755.6-84000110.7Y105 P112 V183 I187 G189Y105-W185 VanDerWaalsContact CA-CZ3 3.44Å; Y105-W185 VanDerWaalsContact CB-CZ3 3.47Å; Y105-W185 AromaticContact CD2-CH2 3.16Å; Y105-W185 HydrophobicContact CD2-CH2 3.16Å; Y105-W185 AromaticContact CD2-CZ2 3.29Å; Y105-W185 HydrophobicContact CD2-CZ2 3.29Å; Y105-W185 HydrophobicContact CD2-CZ3 4.3Å; Y105-W185 HydrophobicContact CE2-CH2 4.29Å; Y105-W185 HydrophobicContact CE2-CZ2 4.09Å; Y105-W185 AromaticContact CG-CH2 3.49Å; Y105-W185 HydrophobicContact CG-CH2 3.49Å; Y105-W185 VanDerWaalsContact CG-CH2 3.49Å; Y105-W185 HydrophobicContact CG-CZ2 4.11Å; Y105-W185 HydrophobicContact CG-CZ3 4.35Å; Y105-W185 WeakPolarHBondContact O-CH2 3.05Å; Y105-W185 WeakPolarHBondContact O-CZ3 3.16Å; P112-W185 HydrophobicContact CB-CZ3 4.14Å; P112-W185 HydrophobicContact CG-CE3 3.91Å; P112-W185 HydrophobicContact CG-CZ3 3.93Å; V183-W185 PolarHBondContact O-N 3.41Å; V183-W185 VanDerWaalsContact O-N 3.1Å; W185-I187 PolarHBondContact O-N 2.69Å; W185-G189 PolarHBondContact O-N 3.41Å
186E50.4Low60.7Low61 Ų6166.2 Ų66.229%0.28533%0.326SS..Hα-helixtrans-64-26.2171.6-55.887.5165.100112.8Y105 K116 P184Y105-E186 HydrophobicContact CD2-CG 4Å; Y105-E186 HydrophobicContact CG-CG 4.5Å; K116-E186 PolarHBondContact NZ-O 2.89Å; P184-E186 WeakPolarHBondContact CA-OE2 3.33Å; P184-E186 WeakPolarHBondContact CB-OE2 3.49Å; P184-E186 PolarHBondContact O-N 2.94Å
187I51.8Low61.7Low63 Ų6363.2 Ų63.232%0.32331%0.313SS..Hα-helixtrans-99.5-38.7-179.3-59.3175.1000110.9P184 W185 R196 Y198P184-I187 HydrophobicContact CB-CD1 4.08Å; P184-I187 HydrophobicContact CB-CG1 4.22Å; P184-I187 HydrophobicContact CG-CD1 4.2Å; P184-I187 PolarHBondContact O-N 2.97Å; W185-I187 PolarHBondContact O-N 2.69Å; I187-R196 HydrophobicContact CG2-CB 4.21Å; I187-R196 HydrophobicContact CG2-CG 4.39Å; I187-R196 WeakPolarHBondContact O-CD 3.47Å; I187-R196 PolarHBondContact O-NE 3.34Å; I187-Y198 HydrophobicContact CD1-CD2 3.74Å; I187-Y198 HydrophobicContact CD1-CE2 4.16Å
188T52.4Low62.5Low13 Ų1362.5 Ų62.58%0.0831%0.311CS..Hα-helixtrans-103.5-12.2-166.246.20000116.4W174 V183 P184 H192W174-T188 HydrophobicContact CB-CG2 3.99Å; W174-T188 HydrophobicContact CD2-CG2 3.77Å; W174-T188 HydrophobicContact CE3-CG2 3.68Å; W174-T188 HydrophobicContact CG-CG2 3.88Å; W174-T188 HydrophobicContact CZ3-CG2 4.48Å; V183-T188 HydrophobicContact CB-CG2 3.86Å; V183-T188 HydrophobicContact CG1-CG2 3.27Å; V183-T188 HydrophobicContact CG2-CG2 4.44Å; P184-T188 PolarHBondContact O-N 2.95Å; P184-T188 PolarHBondContact O-OG1 3.43Å; T188-H192 PolarHBondContact O-CD2 3.23Å; T188-H192 PolarHBondContact O-NE2 2.93Å
189G52.6Low63.7Low0 Ų058.7 Ų58.70%030%0.299CS..  trans34.6107.4177.900000113.7W185 L191 H192W185-G189 PolarHBondContact O-N 3.41Å; G189-L191 PolarHBondContact O-N 2.64Å; G189-H192 PolarHBondContact O-CD2 3.29Å; G189-H192 PolarHBondContact O-N 3.1Å
190P49.7Very low65Low65 Ų6563.2 Ų63.242%0.42232%0.32SS..THydrogen-bonded Turntrans-56.9-10-155.222.1-34.4000117.4R173R173-P190 PolarHBondContact NH2-O 3.45Å
191L60.7Low66.7Low115 Ų11557.1 Ų57.160%0.60228%0.284SS*.THydrogen-bonded Turntrans-120.513.9-170-56177.5000114G189G189-L191 PolarHBondContact O-N 2.64Å
192H70.1Confident68.4Low4 Ų458.7 Ų58.72%0.01930%0.295CS..  trans-121.9163.2-178.48279000114.5D111 I113 W174 T188 G189 Y194 R196D111-H192 IonicContact OD2-CD2 3.29Å; I113-H192 WeakPolarHBondContact CD1-CD2 3.4Å; I113-H192 WeakPolarHBondContact CD1-NE2 3.49Å; W174-H192 AromaticContact CD1-CE1 3.61Å; W174-H192 AromaticContact CD1-ND1 3.81Å; W174-H192 VanDerWaalsContact CD1-O 3.3Å; W174-H192 PolarHBondContact N-O 3.3Å; W174-H192 AromaticContact NE1-CE1 3.74Å; T188-H192 PolarHBondContact O-CD2 3.23Å; T188-H192 PolarHBondContact O-NE2 2.93Å; G189-H192 PolarHBondContact O-CD2 3.29Å; G189-H192 PolarHBondContact O-N 3.1Å; H192-Y194 HydrophobicContact CB-CD2 3.55Å; H192-Y194 HydrophobicContact CB-CE2 3.51Å; H192-Y194 HydrophobicContact CB-CG 4.24Å; H192-Y194 AromaticContact CE1-CD2 3.94Å; H192-Y194 AromaticContact CG-CD2 3.4Å; H192-Y194 AromaticContact CG-CE2 3.85Å; H192-Y194 WeakPolarHBondContact ND1-CB 3.48Å; H192-Y194 AromaticContact ND1-CD2 3.18Å; H192-Y194 WeakPolarHBondContact ND1-CD2 3.38Å; H192-Y194 AromaticContact ND1-CG 3.49Å; H192-Y194 PolarHBondContact ND1-N 3.27Å; H192-R196 PolarHBondContact CE1-NE 2.72Å
193N80.1Confident70.3Confident42 Ų4253 Ų5323%0.22527%0.271CS..  trans-129.147.7179.968.6-21.8000109.5N163 Y171 R173N163-N193 WeakPolarHBondContact CA-O 3.41Å; N163-N193 WeakPolarHBondContact CB-O 3.33Å; Y171-N193 WeakPolarHBondContact CD1-O 3.46Å; R173-N193 HydrophobicContact CG-CB 4.32Å
194Y86.4Confident72.1Confident49 Ų4951.8 Ų51.819%0.19226%0.264CS..  trans-98.8151.6-177.1-54.8-46.7000110.1F161 R162 N163 W174 H192 R196F161-Y194 HydrophobicContact CB-CD1 4.27Å; F161-Y194 HydrophobicContact CB-CE1 4.1Å; F161-Y194 HydrophobicContact CD1-CD2 4.24Å; F161-Y194 HydrophobicContact CD1-CE1 4.26Å; F161-Y194 AromaticContact CD1-CE2 3.73Å; F161-Y194 HydrophobicContact CD1-CE2 3.73Å; F161-Y194 AromaticContact CD1-CZ 3.76Å; F161-Y194 HydrophobicContact CE1-CE2 4.29Å; F161-Y194 VanDerWaalsContact O-CD1 3.23Å; F161-Y194 WeakPolarHBondContact O-CD1 3.15Å; R162-Y194 CarbonylContact O-C 3.59Å; R162-Y194 VanDerWaalsContact O-CA 3.26Å; R162-Y194 WeakPolarHBondContact O-CA 3.09Å; N163-Y194 HydrophobicContact CB-CD1 4.26Å; W174-Y194 PolarHBondContact NE1-O 3.07Å; H192-Y194 HydrophobicContact CB-CD2 3.55Å; H192-Y194 HydrophobicContact CB-CE2 3.51Å; H192-Y194 HydrophobicContact CB-CG 4.24Å; H192-Y194 AromaticContact CE1-CD2 3.94Å; H192-Y194 AromaticContact CG-CD2 3.4Å; H192-Y194 AromaticContact CG-CE2 3.85Å; H192-Y194 WeakPolarHBondContact ND1-CB 3.48Å; H192-Y194 AromaticContact ND1-CD2 3.18Å; H192-Y194 WeakPolarHBondContact ND1-CD2 3.38Å; H192-Y194 AromaticContact ND1-CG 3.49Å; H192-Y194 PolarHBondContact ND1-N 3.27Å; Y194-R196 PolarHBondContact O-N 3.03Å
195C88.9Confident74Confident0 Ų049.8 Ų49.80%025%0.252CS..  trans-53.2130.2173.5-67.40000112.1Y158 R162 Y171 P205 C219 F220Y158-C195 HydrophobicContact CD1-CB 3.59Å; Y158-C195 WeakPolarHBondContact CD1-O 3.35Å; Y158-C195 HydrophobicContact CE1-CB 3.69Å; R162-C195 PolarHBondContact O-N 3.47Å; R162-C195 PolarHBondContact O-SG 3.08Å; R162-C195 VanDerWaalsContact O-SG 3.38Å; Y171-C195 VanDerWaalsContact CE1-SG 3.55Å; Y171-C195 PolarHBondContact OH-SG 2.94Å; C195-P205 HydrophobicContact CB-CB 4.06Å; C195-C219 VanDerWaalsContact CA-SG 3.58Å; C195-C219 HydrophobicContact CB-CB 3.82Å; C195-C219 WeakPolarHBondContact CB-SG 3.36Å; C195-C219 WeakPolarHBondContact SG-CB 3.41Å; C195-C219 CovalentContact SG-SG 2.02Å; C195-C219 PolarHBondContact SG-SG 3.36Å; C195-F220 HydrophobicContact CB-CE2 4.44Å
196R88.4Confident75.9Confident10 Ų1045.4 Ų45.44%0.03824%0.235CC..BIsolated β-bridgetrans-138.6154171-60.4-66.2176-109.57.5108.8G160 W174 I187 H192 Y194 W206G160-R196 PolarHBondContact O-NH1 3.28Å; W174-R196 HydrophobicContact CH2-CB 4.05Å; W174-R196 HydrophobicContact CZ2-CB 3.63Å; W174-R196 HydrophobicContact CZ2-CG 3.98Å; I187-R196 HydrophobicContact CG2-CB 4.21Å; I187-R196 HydrophobicContact CG2-CG 4.39Å; I187-R196 WeakPolarHBondContact O-CD 3.47Å; I187-R196 PolarHBondContact O-NE 3.34Å; H192-R196 PolarHBondContact CE1-NE 2.72Å; Y194-R196 PolarHBondContact O-N 3.03Å; R196-W206 PolarHBondContact N-O 3.06Å; R196-W206 VanDerWaalsContact N-O 3.07Å; R196-W206 PolarHBondContact O-N 3.46Å; R196-W206 VanDerWaalsContact O-O 3.07Å
197N86.9Confident77.6Confident27 Ų2742.6 Ų42.614%0.14422%0.222CC..  trans-106.855.8178-165.58.5000110.8I153 Q154 A156 Y201 G204 P205I153-N197 PolarHBondContact O-ND2 3.29Å; Q154-N197 PolarHBondContact O-ND2 2.73Å; A156-N197 WeakPolarHBondContact O-CB 3.46Å; A156-N197 PolarHBondContact O-ND2 3.19Å; A156-N197 VanDerWaalsContact O-ND2 3.07Å; N197-Y201 PolarHBondContact OD1-N 2.75Å; N197-G204 PolarHBondContact OD1-O 3.25Å; N197-P205 HydrophobicContact CB-CB 4.37Å; N197-P205 HydrophobicContact CB-CG 4.18Å
198Y78.7Confident78.9Confident59 Ų5940 Ų4023%0.23121%0.208CC..THydrogen-bonded Turntrans-73.1133.3175.8-176-103.5000110.1Y181 V183 P184 I187 W206Y181-Y198 HydrophobicContact CD2-CE1 4.11Å; Y181-Y198 HydrophobicContact CE2-CD1 4.25Å; Y181-Y198 AromaticContact CE2-CE1 3.54Å; Y181-Y198 HydrophobicContact CE2-CE1 3.54Å; V183-Y198 HydrophobicContact CG1-CD1 4.02Å; V183-Y198 HydrophobicContact CG1-CD2 3.94Å; V183-Y198 HydrophobicContact CG1-CE1 4.11Å; V183-Y198 HydrophobicContact CG1-CE2 4.03Å; V183-Y198 HydrophobicContact CG1-CG 3.93Å; P184-Y198 HydrophobicContact CG-CE2 3.87Å; I187-Y198 HydrophobicContact CD1-CD2 3.74Å; I187-Y198 HydrophobicContact CD1-CE2 4.16Å; Y198-W206 PolarHBondContact O-NE1 2.85Å
199G77Confident80.2Confident58 Ų5839.8 Ų39.860%0.59821%0.207SC*.THydrogen-bonded Turntrans76.521.2-179.300000114.9Y201G199-Y201 PolarHBondContact O-N 3.49Å
200E80.1Confident80.8Confident122 Ų12246.3 Ų46.357%0.5724%0.235SC*.  trans48.755.7173.4-63.3-177.317700112.2Q154 E202Q154-E200 HydrophobicContact CG-CB 4.1Å; Q154-E200 VanDerWaalsContact CG-O 3.24Å; Q154-E200 WeakPolarHBondContact CG-O 3.24Å; Q154-E200 PolarHBondContact NE2-O 2.86Å; Q154-E200 WeakPolarHBondContact O-CA 3.39Å; E200-E202 PolarHBondContact O-N 2.77Å
201Y84.7Confident81.3Confident44 Ų4446.6 Ų46.617%0.17323%0.233CC..  trans-64.2134.4-176.3-177.3-134.4000109.9N197 G199 H203 G204 W206 R216 A218N197-Y201 PolarHBondContact OD1-N 2.75Å; G199-Y201 PolarHBondContact O-N 3.49Å; Y201-H203 HydrophobicContact CD1-CB 4Å; Y201-H203 HydrophobicContact CE1-CB 3.65Å; Y201-H203 AromaticContact CE1-CD2 3.98Å; Y201-H203 AromaticContact CZ-CD2 3.6Å; Y201-H203 PolarHBondContact O-N 2.93Å; Y201-H203 PolarHBondContact OH-CD2 2.94Å; Y201-H203 VanDerWaalsContact OH-CD2 3.29Å; Y201-G204 WeakPolarHBondContact CD1-O 3.31Å; Y201-G204 WeakPolarHBondContact O-CA 3.31Å; Y201-G204 PolarHBondContact O-N 3.31Å; Y201-W206 VanDerWaalsContact CB-CD1 3.4Å; Y201-W206 HydrophobicContact CD1-CB 3.8Å; Y201-W206 AromaticContact CD1-CD1 3.74Å; Y201-W206 AromaticContact CD1-CG 3.92Å; Y201-W206 HydrophobicContact CD1-CG 3.92Å; Y201-W206 HydrophobicContact CE1-CB 4.19Å; Y201-W206 AromaticContact CG-CD1 3.87Å; Y201-W206 HydrophobicContact CG-CG 4.38Å; Y201-R216 VanDerWaalsContact CD2-CZ 3.46Å; Y201-A218 HydrophobicContact CE1-CB 4.48Å
202E89.3Confident81.3Confident136 Ų13651.5 Ų51.564%0.63625%0.25SC*.THydrogen-bonded Turntrans-57.5-26.9-175.8-170.9-179.217400113.2E200E200-E202 PolarHBondContact O-N 2.77Å
203H91.4Very high80.7Confident84 Ų8454.8 Ų54.839%0.38929%0.285SS..THydrogen-bonded Turntrans-98.913.6177.1-51.2-35.8000113.5I153 Y201 A218I153-H203 WeakPolarHBondContact CD1-O 3.29Å; Y201-H203 HydrophobicContact CD1-CB 4Å; Y201-H203 HydrophobicContact CE1-CB 3.65Å; Y201-H203 AromaticContact CE1-CD2 3.98Å; Y201-H203 AromaticContact CZ-CD2 3.6Å; Y201-H203 PolarHBondContact O-N 2.93Å; Y201-H203 PolarHBondContact OH-CD2 2.94Å; Y201-H203 VanDerWaalsContact OH-CD2 3.29Å; H203-A218 HydrophobicContact CB-CB 3.85Å; H203-A218 WeakPolarHBondContact O-CB 3.45Å
204G91.8Very high79.7Confident0 Ų056.7 Ų56.70%030%0.298CS..  trans80.1-154.9172.700000114.5I153 N197 Y201 W206I153-G204 WeakPolarHBondContact O-CA 3.43Å; N197-G204 PolarHBondContact OD1-O 3.25Å; Y201-G204 WeakPolarHBondContact CD1-O 3.31Å; Y201-G204 WeakPolarHBondContact O-CA 3.31Å; Y201-G204 PolarHBondContact O-N 3.31Å; G204-W206 PolarHBondContact O-N 3.16Å
205P92.7Very high79.3Confident0 Ų059.7 Ų59.70%031%0.314CS..SBendtrans-52.8131.1-178.6-23.232.3000111.3I148 A156 Y158 C195 N197 C219 F220I148-P205 VanDerWaalsContact CD1-CD 3.4Å; I148-P205 HydrophobicContact CD1-CG 3.73Å; A156-P205 HydrophobicContact CB-CG 4.45Å; Y158-P205 HydrophobicContact CG-CG 4.4Å; C195-P205 HydrophobicContact CB-CB 4.06Å; N197-P205 HydrophobicContact CB-CB 4.37Å; N197-P205 HydrophobicContact CB-CG 4.18Å; P205-C219 VanDerWaalsContact O-CB 3.28Å; P205-C219 WeakPolarHBondContact O-CB 3.14Å; P205-C219 PolarHBondContact O-N 2.99Å; P205-C219 PolarHBondContact O-SG 3.3Å; P205-C219 VanDerWaalsContact O-SG 3.37Å; P205-F220 HydrophobicContact CB-CD2 4.15Å; P205-F220 HydrophobicContact CB-CE2 4.19Å; P205-F220 HydrophobicContact CG-CD2 4.2Å; P205-F220 HydrophobicContact CG-CE2 4.38Å
206W90Very high79Confident2 Ų264 Ų641%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-136.9174.2-172.361.9-89.1000110.7W174 R196 Y198 Y201 G204 Y208 R216 E217W174-W206 HydrophobicContact CH2-CD2 4.04Å; W174-W206 AromaticContact CH2-CE3 3.82Å; W174-W206 HydrophobicContact CH2-CE3 3.82Å; W174-W206 AromaticContact CH2-CH2 3.89Å; W174-W206 HydrophobicContact CH2-CH2 3.89Å; W174-W206 HydrophobicContact CH2-CZ2 4.07Å; W174-W206 AromaticContact CH2-CZ3 3.74Å; W174-W206 HydrophobicContact CH2-CZ3 3.74Å; W174-W206 WeakPolarHBondContact CZ2-O 3.47Å; W174-W206 HydrophobicContact CZ3-CE3 4.27Å; W174-W206 AromaticContact CZ3-CH2 3.55Å; W174-W206 HydrophobicContact CZ3-CH2 3.55Å; W174-W206 AromaticContact CZ3-CZ2 3.96Å; W174-W206 HydrophobicContact CZ3-CZ2 3.96Å; W174-W206 AromaticContact CZ3-CZ3 3.7Å; W174-W206 HydrophobicContact CZ3-CZ3 3.7Å; R196-W206 PolarHBondContact N-O 3.06Å; R196-W206 VanDerWaalsContact N-O 3.07Å; R196-W206 PolarHBondContact O-N 3.46Å; R196-W206 VanDerWaalsContact O-O 3.07Å; Y198-W206 PolarHBondContact O-NE1 2.85Å; Y201-W206 VanDerWaalsContact CB-CD1 3.4Å; Y201-W206 HydrophobicContact CD1-CB 3.8Å; Y201-W206 AromaticContact CD1-CD1 3.74Å; Y201-W206 AromaticContact CD1-CG 3.92Å; Y201-W206 HydrophobicContact CD1-CG 3.92Å; Y201-W206 HydrophobicContact CE1-CB 4.19Å; Y201-W206 AromaticContact CG-CD1 3.87Å; Y201-W206 HydrophobicContact CG-CG 4.38Å; G204-W206 PolarHBondContact O-N 3.16Å; W206-Y208 AromaticContact CH2-CE1 3.75Å; W206-Y208 HydrophobicContact CH2-CE1 3.75Å; W206-Y208 HydrophobicContact CH2-CE2 4.22Å; W206-Y208 AromaticContact CH2-CZ 3.53Å; W206-Y208 WeakPolarHBondContact CH2-OH 3.42Å; W206-Y208 AromaticContact CZ3-CD1 3.84Å; W206-Y208 HydrophobicContact CZ3-CD1 3.84Å; W206-Y208 HydrophobicContact CZ3-CD2 4.3Å; W206-Y208 AromaticContact CZ3-CE1 3.45Å; W206-Y208 HydrophobicContact CZ3-CE1 3.45Å; W206-Y208 VanDerWaalsContact CZ3-CE1 3.45Å; W206-Y208 HydrophobicContact CZ3-CE2 4Å; W206-Y208 HydrophobicContact CZ3-CG 4.21Å; W206-Y208 AromaticContact CZ3-CZ 3.53Å; W206-R216 HydrophobicContact CD2-CB 3.98Å; W206-R216 HydrophobicContact CD2-CG 4.47Å; W206-R216 HydrophobicContact CE3-CB 3.26Å; W206-R216 HydrophobicContact CE3-CG 4.13Å; W206-R216 HydrophobicContact CZ3-CB 3.6Å; W206-R216 HydrophobicContact CZ3-CG 4.42Å; W206-E217 VanDerWaalsContact CA-O 3.23Å; W206-E217 WeakPolarHBondContact CA-O 3.38Å; W206-E217 WeakPolarHBondContact CB-O 3.49Å
207C85.9Confident79.1Confident1 Ų164.6 Ų64.61%0.00733%0.333CS..EExtended strand (participates in β ladder)trans-148.7166.7173.667.30000111.5T165 Y171 R216 E217T165-C207 WeakPolarHBondContact CG2-SG 3.41Å; Y171-C207 HydrophobicContact CD1-CB 3.05Å; Y171-C207 VanDerWaalsContact CD1-SG 3.58Å; Y171-C207 HydrophobicContact CD2-CB 4.05Å; Y171-C207 WeakPolarHBondContact CD2-SG 3.46Å; Y171-C207 HydrophobicContact CE1-CB 3.04Å; Y171-C207 WeakPolarHBondContact CE1-SG 3.28Å; Y171-C207 HydrophobicContact CE2-CB 3.89Å; Y171-C207 WeakPolarHBondContact CE2-SG 3.24Å; Y171-C207 HydrophobicContact CG-CB 3.69Å; C207-R216 CarbonylContact O-C 3.57Å; C207-R216 WeakPolarHBondContact O-CA 3.42Å; C207-E217 PolarHBondContact N-O 2.91Å; C207-E217 PolarHBondContact O-N 2.66Å
208Y79.1Confident79.4Confident9 Ų963.5 Ų63.54%0.03533%0.328CS..EExtended strand (participates in β ladder)trans-75.3135172.5-65.4-67.5000111.5K172 W174 R177 L179 W206 E215K172-Y208 PolarHBondContact N-O 3.26Å; W174-Y208 HydrophobicContact CD2-CD2 4.45Å; W174-Y208 HydrophobicContact CD2-CE2 4.23Å; W174-Y208 HydrophobicContact CE3-CD2 4Å; W174-Y208 AromaticContact CE3-CE2 3.4Å; W174-Y208 HydrophobicContact CE3-CE2 3.4Å; W174-Y208 HydrophobicContact CZ3-CD2 4.22Å; W174-Y208 AromaticContact CZ3-CE2 3.61Å; W174-Y208 HydrophobicContact CZ3-CE2 3.61Å; R177-Y208 HydrophobicContact CB-CE2 4.49Å; L179-Y208 WeakPolarHBondContact CD1-OH 3.22Å; L179-Y208 WeakPolarHBondContact CD2-OH 3.35Å; W206-Y208 AromaticContact CH2-CE1 3.75Å; W206-Y208 HydrophobicContact CH2-CE1 3.75Å; W206-Y208 HydrophobicContact CH2-CE2 4.22Å; W206-Y208 AromaticContact CH2-CZ 3.53Å; W206-Y208 WeakPolarHBondContact CH2-OH 3.42Å; W206-Y208 AromaticContact CZ3-CD1 3.84Å; W206-Y208 HydrophobicContact CZ3-CD1 3.84Å; W206-Y208 HydrophobicContact CZ3-CD2 4.3Å; W206-Y208 AromaticContact CZ3-CE1 3.45Å; W206-Y208 HydrophobicContact CZ3-CE1 3.45Å; W206-Y208 VanDerWaalsContact CZ3-CE1 3.45Å; W206-Y208 HydrophobicContact CZ3-CE2 4Å; W206-Y208 HydrophobicContact CZ3-CG 4.21Å; W206-Y208 AromaticContact CZ3-CZ 3.53Å; Y208-E215 VanDerWaalsContact CD1-O 3.22Å; Y208-E215 WeakPolarHBondContact CD1-O 3.48Å
209V79.3Confident80.1Confident9 Ų960.7 Ų60.76%0.05532%0.317CS..EExtended strand (participates in β ladder)trans-126.9132.8172.7-175.90000107.1T165 K169 D211 E217T165-V209 HydrophobicContact CG2-CG2 3.52Å; K169-V209 HydrophobicContact CB-CG1 4.06Å; K169-V209 HydrophobicContact CD-CG1 3.51Å; K169-V209 HydrophobicContact CG-CG1 4.42Å; V209-D211 HydrophobicContact CG1-CB 4.23Å; V209-D211 PolarHBondContact O-N 3.43Å; V209-E217 HydrophobicContact CG2-CB 3.7Å
210F65.3Low81Confident136 Ų13658 Ų5860%0.59629%0.289SS*.EExtended strand (participates in β ladder)trans-91.690.6167.5-68.2-70.8000109K172K172-F210 HydrophobicContact CB-CD2 4.32Å; K172-F210 HydrophobicContact CB-CE2 3.9Å; K172-F210 HydrophobicContact CD-CD2 3.67Å; K172-F210 HydrophobicContact CD-CE2 3.48Å; K172-F210 VanDerWaalsContact CD-CE2 3.48Å; K172-F210 HydrophobicContact CG-CD2 3.32Å; K172-F210 HydrophobicContact CG-CE2 3.3Å; K172-F210 HydrophobicContact CG-CZ 4.49Å
211D61Low81.7Confident72 Ų7255.7 Ų55.739%0.38528%0.28SS..EExtended strand (participates in β ladder)trans-135.3102.6166.5-169.813000109.8K169 V209 G213 V214K169-D211 IonicContact NZ-OD2 2.7Å; K169-D211 PolarHBondContact NZ-OD2 3.4Å; V209-D211 HydrophobicContact CG1-CB 4.23Å; V209-D211 PolarHBondContact O-N 3.43Å; D211-G213 PolarHBondContact O-N 2.82Å; D211-V214 PolarHBondContact O-N 3.48Å
212K59.8Low82.3Confident217 Ų21756.6 Ų56.694%0.94329%0.29SS*.THydrogen-bonded Turntrans26.436.5164.6-59.2-175.4-178.1178.20118.6
213G58.1Low82.6Confident74 Ų7450.8 Ų50.876%0.76326%0.264SS*.THydrogen-bonded Turntrans129.5-10.9178.300000117D211D211-G213 PolarHBondContact O-N 2.82Å
214V58.6Low82.8Confident81 Ų8150.7 Ų50.749%0.49127%0.271SS..EExtended strand (participates in β ladder)trans-97.7109172.6-179.80000109.1D211 R216D211-V214 PolarHBondContact O-N 3.48Å; V214-R216 VanDerWaalsContact CG1-O 3.27Å; V214-R216 WeakPolarHBondContact CG1-O 3.31Å
215E78.2Confident82.9Confident112 Ų11260.9 Ų60.952%0.52332%0.316SS..EExtended strand (participates in β ladder)trans-77.4-27.2-175.7-54.6-165.6149.900112.8R177 Y208R177-E215 IonicContact CZ-OE1 3.27Å; R177-E215 IonicContact CZ-OE2 3.74Å; R177-E215 IonicContact NH1-OE1 2.6Å; R177-E215 IonicContact NH1-OE2 3.91Å; R177-E215 PolarHBondContact NH1-OE2 3.24Å; R177-E215 IonicContact NH2-OE1 3.71Å; R177-E215 PolarHBondContact NH2-OE1 3.05Å; R177-E215 IonicContact NH2-OE2 2.71Å; R177-E215 PolarHBondContact NH2-OE2 3.15Å; Y208-E215 VanDerWaalsContact CD1-O 3.22Å; Y208-E215 WeakPolarHBondContact CD1-O 3.48Å
216R82.8Confident82.8Confident91 Ų9164.9 Ų64.934%0.34336%0.356SS..EExtended strand (participates in β ladder)trans-147.6147.4-17856.8179-180-176.10.2112.4Y201 W206 C207 V214Y201-R216 VanDerWaalsContact CD2-CZ 3.46Å; W206-R216 HydrophobicContact CD2-CB 3.98Å; W206-R216 HydrophobicContact CD2-CG 4.47Å; W206-R216 HydrophobicContact CE3-CB 3.26Å; W206-R216 HydrophobicContact CE3-CG 4.13Å; W206-R216 HydrophobicContact CZ3-CB 3.6Å; W206-R216 HydrophobicContact CZ3-CG 4.42Å; C207-R216 CarbonylContact O-C 3.57Å; C207-R216 WeakPolarHBondContact O-CA 3.42Å; V214-R216 VanDerWaalsContact CG1-O 3.27Å; V214-R216 WeakPolarHBondContact CG1-O 3.31Å
217E89.4Confident83Confident23 Ų2368.9 Ų68.911%0.10737%0.374CS..EExtended strand (participates in β ladder)trans-132.7143.9175.2-167.1-173.3156.600110.9T165 T167 W206 C207 V209T165-E217 WeakPolarHBondContact CB-OE1 3.49Å; T165-E217 WeakPolarHBondContact CB-OE2 3.35Å; T165-E217 HydrophobicContact CG2-CB 3.73Å; T165-E217 HydrophobicContact CG2-CG 4.07Å; T165-E217 WeakPolarHBondContact CG2-OE2 3.48Å; T165-E217 VanDerWaalsContact OG1-CD 3.28Å; T165-E217 PolarHBondContact OG1-OE1 3.11Å; T165-E217 PolarHBondContact OG1-OE2 3.05Å; T165-E217 VanDerWaalsContact OG1-OE2 3.1Å; T167-E217 VanDerWaalsContact CB-OE1 3.27Å; T167-E217 WeakPolarHBondContact CB-OE1 3.27Å; T167-E217 WeakPolarHBondContact CG2-OE1 3.12Å; T167-E217 PolarHBondContact N-OE1 3.37Å; T167-E217 PolarHBondContact OG1-OE1 3.07Å; T167-E217 PolarHBondContact OG1-OE2 3.1Å; T167-E217 VanDerWaalsContact OG1-OE2 3.08Å; W206-E217 VanDerWaalsContact CA-O 3.23Å; W206-E217 WeakPolarHBondContact CA-O 3.38Å; W206-E217 WeakPolarHBondContact CB-O 3.49Å; C207-E217 PolarHBondContact N-O 2.91Å; C207-E217 PolarHBondContact O-N 2.66Å; V209-E217 HydrophobicContact CG2-CB 3.7Å
218A93.2Very high83.5Confident3 Ų375.2 Ų75.23%0.02541%0.412CS..EExtended strand (participates in β ladder)trans-64.3146.7174.900000112.2K166 Y201 H203K166-A218 HydrophobicContact CD-CB 4.28Å; K166-A218 WeakPolarHBondContact CG-O 3.46Å; K166-A218 PolarHBondContact N-O 3.45Å; Y201-A218 HydrophobicContact CE1-CB 4.48Å; H203-A218 HydrophobicContact CB-CB 3.85Å; H203-A218 WeakPolarHBondContact O-CB 3.45Å
219C94.3Very high84.3Confident0 Ų076.3 Ų76.30%042%0.419CS..SBendtrans-88.5-24.3179.4-65.40000114.1R162 Y171 C195 P205R162-C219 PolarHBondContact NH1-O 3.27Å; Y171-C219 PolarHBondContact OH-SG 3.05Å; C195-C219 VanDerWaalsContact CA-SG 3.58Å; C195-C219 HydrophobicContact CB-CB 3.82Å; C195-C219 WeakPolarHBondContact CB-SG 3.36Å; C195-C219 WeakPolarHBondContact SG-CB 3.41Å; C195-C219 CovalentContact SG-SG 2.02Å; C195-C219 PolarHBondContact SG-SG 3.36Å; P205-C219 VanDerWaalsContact O-CB 3.28Å; P205-C219 WeakPolarHBondContact O-CB 3.14Å; P205-C219 PolarHBondContact O-N 2.99Å; P205-C219 PolarHBondContact O-SG 3.3Å; P205-C219 VanDerWaalsContact O-SG 3.37Å
220F95.8Very high85Confident3 Ų378.8 Ų78.81%0.01343%0.434CS..SBendtrans-133.8155-171.8-59.7-83.2000109.7I142 I148 Y158 R162 C195 P205I142-F220 HydrophobicContact CG2-CD1 3.62Å; I142-F220 HydrophobicContact CG2-CD2 4.27Å; I142-F220 HydrophobicContact CG2-CE1 3.34Å; I142-F220 HydrophobicContact CG2-CE2 4.07Å; I142-F220 HydrophobicContact CG2-CG 4.08Å; I142-F220 HydrophobicContact CG2-CZ 3.62Å; I148-F220 HydrophobicContact CD1-CB 4.08Å; I148-F220 HydrophobicContact CD1-CD2 3.85Å; I148-F220 HydrophobicContact CD1-CG 4.09Å; I148-F220 HydrophobicContact CG1-CB 4.05Å; I148-F220 HydrophobicContact CG1-CD2 4.48Å; I148-F220 HydrophobicContact CG1-CG 4.24Å; Y158-F220 HydrophobicContact CD1-CE2 4.17Å; Y158-F220 HydrophobicContact CD1-CZ 4.49Å; Y158-F220 AromaticContact CD2-CE2 3.85Å; Y158-F220 HydrophobicContact CD2-CE2 3.85Å; Y158-F220 AromaticContact CD2-CZ 3.76Å; Y158-F220 HydrophobicContact CD2-CZ 3.76Å; Y158-F220 HydrophobicContact CE1-CE2 4.28Å; Y158-F220 HydrophobicContact CE1-CZ 4.23Å; Y158-F220 HydrophobicContact CE2-CE1 4.4Å; Y158-F220 AromaticContact CE2-CE2 3.95Å; Y158-F220 HydrophobicContact CE2-CE2 3.95Å; Y158-F220 AromaticContact CE2-CZ 3.42Å; Y158-F220 HydrophobicContact CE2-CZ 3.42Å; Y158-F220 VanDerWaalsContact CE2-CZ 3.42Å; Y158-F220 AromaticContact CG-CE2 3.94Å; Y158-F220 HydrophobicContact CG-CE2 3.94Å; Y158-F220 HydrophobicContact CG-CZ 4.27Å; Y158-F220 AromaticContact CZ-CZ 3.68Å; R162-F220 HydrophobicContact CB-CZ 4.36Å; C195-F220 HydrophobicContact CB-CE2 4.44Å; P205-F220 HydrophobicContact CB-CD2 4.15Å; P205-F220 HydrophobicContact CB-CE2 4.19Å; P205-F220 HydrophobicContact CG-CD2 4.2Å; P205-F220 HydrophobicContact CG-CE2 4.38Å
221D95.4Very high86.4Confident72 Ų7279.4 Ų79.439%0.38543%0.432SS..EExtended strand (participates in β ladder)trans-85162.1169.4-74.4-54000111.7C147 I148 K166C147-D221 CarbonylContact C-O 3.5Å; C147-D221 WeakPolarHBondContact CA-O 3.5Å; C147-D221 HydrophobicContact CB-CB 4.5Å; C147-D221 VanDerWaalsContact CB-O 3.23Å; C147-D221 WeakPolarHBondContact CB-O 3.36Å; I148-D221 PolarHBondContact N-O 3.32Å; K166-D221 WeakPolarHBondContact CD-OD1 3.17Å; K166-D221 IonicContact NZ-OD1 3.39Å
222V96Very high87.9Confident63 Ų6378 Ų7838%0.38242%0.423SS..EExtended strand (participates in β ladder)trans-72.2131.7163.5178.80000108.1I148 N150 I153I148-V222 WeakPolarHBondContact O-CA 3.37Å; N150-V222 HydrophobicContact CB-CG1 3.64Å; I153-V222 HydrophobicContact CD1-CB 4.41Å; I153-V222 HydrophobicContact CD1-CG2 3.41Å; I153-V222 VanDerWaalsContact CD1-CG2 3.41Å
223C96.7Very high89.4Confident15 Ų1573.7 Ų73.710%0.10140%0.404CS..PPolyproline II helixtrans-61.4131.8177.9-660000111.4C147 I148 L229C147-C223 HydrophobicContact CB-CB 3.95Å; C147-C223 WeakPolarHBondContact CB-SG 3.49Å; C147-C223 WeakPolarHBondContact SG-CA 3.18Å; C147-C223 WeakPolarHBondContact SG-CB 2.87Å; C147-C223 CovalentContact SG-SG 2.04Å; C147-C223 PolarHBondContact SG-SG 2.85Å; I148-C223 VanDerWaalsContact C-SG 3.53Å; I148-C223 PolarHBondContact O-N 3.29Å; C223-L229 HydrophobicContact CB-CD2 4.13Å
224P95.4Very high91Very high82 Ų8271.1 Ų71.153%0.53237%0.373SS..PPolyproline II helixtrans-56.2142.6173.8-24.832.7000111.9G226 K227P224-G226 PolarHBondContact O-N 3.15Å; P224-K227 HydrophobicContact CB-CB 4.41Å; P224-K227 HydrophobicContact CG-CD 4.46Å; P224-K227 WeakPolarHBondContact O-CB 3.22Å; P224-K227 PolarHBondContact O-N 3.23Å; P224-K227 VanDerWaalsContact O-N 3.14Å
225K93.5Very high92.1Very high214 Ų21469.9 Ų69.993%0.9337%0.371SS*.THydrogen-bonded Turntrans-57.9129.9173.9-68.5-174.9178.6-179.50109.8K227K225-K227 VanDerWaalsContact C-N 3.33Å
226G91.8Very high92Very high83 Ų8366.9 Ų66.986%0.85636%0.358SS*.THydrogen-bonded Turntrans82.30.8179.300000115.4P224 T228P224-G226 PolarHBondContact O-N 3.15Å; G226-T228 PolarHBondContact O-N 2.91Å
227K93.9Very high91.2Very high87 Ų8765.4 Ų65.438%0.37836%0.355SS..PPolyproline II helixtrans-62.8129.7172.7-179.7173.2175177.80110.3N145 C147 P224 K225 L229N145-K227 PolarHBondContact O-NZ 2.9Å; C147-K227 PolarHBondContact SG-NZ 2.95Å; C147-K227 VanDerWaalsContact SG-NZ 3.38Å; P224-K227 HydrophobicContact CB-CB 4.41Å; P224-K227 HydrophobicContact CG-CD 4.46Å; P224-K227 WeakPolarHBondContact O-CB 3.22Å; P224-K227 PolarHBondContact O-N 3.23Å; P224-K227 VanDerWaalsContact O-N 3.14Å; K225-K227 VanDerWaalsContact C-N 3.33Å; K227-L229 HydrophobicContact CD-CD2 4.19Å; K227-L229 HydrophobicContact CG-CD2 4.13Å; K227-L229 PolarHBondContact O-N 3.11Å
228T95.8Very high89.7Confident133 Ų13365.4 Ų65.482%0.81636%0.356SS*.PPolyproline II helixtrans-68.9116.5168.3-51.70000109.1G226G226-T228 PolarHBondContact O-N 2.91Å
229L95.2Very high87.9Confident33 Ų3375.5 Ų75.517%0.17339%0.394CS..PPolyproline II helixtrans-95132.3-178.4-59.7174.7000110.3N145 E149 C223 K227N145-L229 HydrophobicContact CB-CD2 4.28Å; N145-L229 WeakPolarHBondContact OD1-CA 3.33Å; E149-L229 HydrophobicContact CG-CD1 3.4Å; E149-L229 VanDerWaalsContact CG-CD1 3.4Å; E149-L229 WeakPolarHBondContact OE1-CD1 3.03Å; C223-L229 HydrophobicContact CB-CD2 4.13Å; K227-L229 HydrophobicContact CD-CD2 4.19Å; K227-L229 HydrophobicContact CG-CD2 4.13Å; K227-L229 PolarHBondContact O-N 3.11Å
230V94.8Very high85.9Confident60 Ų6082.6 Ų82.636%0.36443%0.426SS..PPolyproline II helixtrans-77.6125.2167-176.50000107.8K144 N145K144-V230 HydrophobicContact CG-CB 3.78Å; K144-V230 HydrophobicContact CG-CG1 3.91Å; K144-V230 HydrophobicContact CG-CG2 3.98Å; N145-V230 PolarHBondContact ND2-O 3.37Å; N145-V230 PolarHBondContact OD1-N 3.47Å
231R93.9Very high83.9Confident150 Ų15088.2 Ų88.257%0.56645%0.448SS*.  trans-119.4128.4175.8-65-174.6175.2122-2.8107.8E149E149-R231 IonicContact OE1-CZ 3.05Å; E149-R231 IonicContact OE1-NE 3.38Å; E149-R231 IonicContact OE1-NH2 3.78Å; E149-R231 PolarHBondContact OE1-NH2 3.27Å; E149-R231 IonicContact OE2-NH2 3.69Å; E149-R231 PolarHBondContact OE2-NH2 3.32Å
232H93.2Very high82Confident43 Ų4389.2 Ų89.220%0.19945%0.454CS..  trans-103.2139.9171.8-64.2-75.3000108.5F22 C137 M140 S141F22-H232 HydrophobicContact CE2-CB 4.25Å; F22-H232 AromaticContact CE2-ND1 3.6Å; F22-H232 HydrophobicContact CZ-CB 4.37Å; C137-H232 HydrophobicContact CB-CB 4.27Å; C137-H232 WeakPolarHBondContact CB-O 3.31Å; M140-H232 HydrophobicContact CE-CB 4.07Å; S141-H232 PolarHBondContact OG-N 3.16Å
233K91.7Very high80.1Confident125 Ų12587.8 Ų87.854%0.54345%0.445SS..  trans-129.8153.8166.1-62-177.3174.9-174.80109.1A235 D236K233-A235 PolarHBondContact O-N 1.98Å; K233-D236 PolarHBondContact N-OD2 3.28Å; K233-D236 WeakPolarHBondContact O-CB 3.31Å; K233-D236 PolarHBondContact O-N 3.39Å; K233-D236 VanDerWaalsContact O-N 3.07Å
234E90.5Very high78.5Confident21 Ų2189.5 Ų89.510%0.09846%0.457CS..G310 helixtrans-54.4-40.6173.4177.9159.4174.800111.9L21 D25 H28 C137 D236L21-E234 HydrophobicContact CD1-CG 3.67Å; D25-E234 HydrophobicContact CB-CB 4.33Å; D25-E234 PolarHBondContact N-OE2 2.98Å; D25-E234 PolarHBondContact OD1-N 3.44Å; D25-E234 VanDerWaalsContact OD1-N 3.15Å; D25-E234 WeakPolarHBondContact OD2-CB 2.89Å; H28-E234 IonicContact CE1-OE1 2.72Å; H28-E234 PolarHBondContact CE1-OE1 2.63Å; H28-E234 VanDerWaalsContact CE1-OE1 3.26Å; H28-E234 IonicContact CG-OE2 3.4Å; H28-E234 VanDerWaalsContact ND1-CD 3.31Å; H28-E234 IonicContact ND1-OE1 3.28Å; H28-E234 PolarHBondContact ND1-OE1 2.84Å; H28-E234 IonicContact ND1-OE2 2.83Å; H28-E234 PolarHBondContact ND1-OE2 3.11Å; C137-E234 PolarHBondContact SG-N 3.11Å; E234-D236 VanDerWaalsContact C-N 3.28Å; E234-D236 PolarHBondContact O-N 2.03Å
235A83.5Confident77.1Confident55 Ų5591 Ų9146%0.45547%0.465SS..G310 helixtrans-66.8-21.2179.400000114.9K233 H237 N238K233-A235 PolarHBondContact O-N 1.98Å; A235-H237 PolarHBondContact O-N 2.83Å; A235-H237 VanDerWaalsContact O-N 3.07Å; A235-N238 PolarHBondContact O-N 3.08Å
236D75.6Confident75.6Confident48 Ų4885.2 Ų85.226%0.25744%0.441SS..G310 helixtrans-64.6-18.2-172.8-67.3-20.2000112.1K233 E234 H240K233-D236 PolarHBondContact N-OD2 3.28Å; K233-D236 WeakPolarHBondContact O-CB 3.31Å; K233-D236 PolarHBondContact O-N 3.39Å; K233-D236 VanDerWaalsContact O-N 3.07Å; E234-D236 VanDerWaalsContact C-N 3.28Å; E234-D236 PolarHBondContact O-N 2.03Å; D236-H240 WeakPolarHBondContact O-CB 2.92Å; D236-H240 PolarHBondContact O-CD2 3.04Å; D236-H240 VanDerWaalsContact O-CG 3.27Å
237H65.1Low74.5Confident60 Ų6083.3 Ų83.328%0.27841%0.41SS..THydrogen-bonded Turntrans-121.2-5-174.5-65.9-108.1000114.6F22 A235 W239F22-H237 HydrophobicContact CD1-CB 3.42Å; F22-H237 VanDerWaalsContact CD1-CB 3.42Å; F22-H237 AromaticContact CD1-CD2 3.4Å; F22-H237 VanDerWaalsContact CD1-CD2 3.4Å; F22-H237 WeakPolarHBondContact CD1-CD2 3.2Å; F22-H237 AromaticContact CD1-CG 3.25Å; F22-H237 AromaticContact CD1-ND1 3.82Å; F22-H237 AromaticContact CD1-NE2 3.98Å; F22-H237 HydrophobicContact CE1-CB 3.42Å; F22-H237 VanDerWaalsContact CE1-CB 3.42Å; F22-H237 AromaticContact CE1-CD2 2.78Å; F22-H237 WeakPolarHBondContact CE1-CD2 3.32Å; F22-H237 AromaticContact CE1-CG 3.12Å; F22-H237 AromaticContact CE1-ND1 3.99Å; F22-H237 AromaticContact CE1-NE2 3.52Å; F22-H237 AromaticContact CE2-CD2 3.64Å; F22-H237 AromaticContact CE2-NE2 3.42Å; F22-H237 WeakPolarHBondContact CE2-NE2 3.23Å; F22-H237 HydrophobicContact CZ-CB 4.43Å; F22-H237 AromaticContact CZ-CD2 2.89Å; F22-H237 WeakPolarHBondContact CZ-CD2 3.49Å; F22-H237 AromaticContact CZ-CG 3.71Å; F22-H237 AromaticContact CZ-NE2 3.18Å; F22-H237 WeakPolarHBondContact CZ-NE2 3.24Å; A235-H237 PolarHBondContact O-N 2.83Å; A235-H237 VanDerWaalsContact O-N 3.07Å; H237-W239 VanDerWaalsContact C-N 3.34Å
238N59.1Low73.5Confident24 Ų2483.7 Ų83.713%0.12842%0.424CS..THydrogen-bonded Turntrans-82.5-14.9173.7-73.5-6.3000113E17 A235E17-N238 VanDerWaalsContact O-CG 3.23Å; E17-N238 PolarHBondContact O-ND2 3.29Å; E17-N238 PolarHBondContact O-OD1 2.79Å; A235-N238 PolarHBondContact O-N 3.08Å
239W54.8Low72.4Confident215 Ų21581 Ų8181%0.81440%0.404SS*.SBendtrans-128.2-11.9-175-59.289.2000114.8H237 Y241H237-W239 VanDerWaalsContact C-N 3.34Å; W239-Y241 VanDerWaalsContact C-N 3.27Å; W239-Y241 PolarHBondContact O-N 3.38Å
240H53.1Low71.4Confident148 Ų14880.5 Ų80.569%0.68540%0.403SS*.SBendtrans-77.9-13-176-88.6-21000114.6D236D236-H240 WeakPolarHBondContact O-CB 2.92Å; D236-H240 PolarHBondContact O-CD2 3.04Å; D236-H240 VanDerWaalsContact O-CG 3.27Å
241Y52.8Low70Confident121 Ų12180.2 Ų80.248%0.47540%0.403SS..SBendtrans-110.7129.7162.6-64-85.7000105.6W239 T243 E246W239-Y241 VanDerWaalsContact C-N 3.27Å; W239-Y241 PolarHBondContact O-N 3.38Å; Y241-T243 PolarHBondContact O-N 2.7Å; Y241-E246 HydrophobicContact CD1-CG 4.37Å; Y241-E246 WeakPolarHBondContact CD1-OE1 3.19Å; Y241-E246 WeakPolarHBondContact CE1-OE1 3.13Å
242D56.3Low68.3Low93 Ų9384.7 Ų84.750%0.49743%0.43SS..  trans-53.5102.5160.9174.923.3000104.9C244 T245D242-C244 PolarHBondContact O-N 3.11Å; D242-C244 WeakPolarHBondContact OD1-CB 2.99Å; D242-C244 PolarHBondContact OD1-N 2.82Å; D242-C244 PolarHBondContact OD1-SG 3.11Å; D242-T245 WeakPolarHBondContact O-CA 3.29Å; D242-T245 WeakPolarHBondContact O-CB 3.13Å; D242-T245 PolarHBondContact O-N 3.23Å; D242-T245 PolarHBondContact OD2-OG1 3.38Å
243T55.8Low67Low34 Ų3486.8 Ų86.821%0.20944%0.442CS..Hα-helixtrans-55.1-23.2-17639.30000109Y241 T245 H247Y241-T243 PolarHBondContact O-N 2.7Å; T243-T245 PolarHBondContact O-N 3.13Å; T243-H247 CarbonylContact O-C 3.59Å; T243-H247 WeakPolarHBondContact O-CA 3.5Å; T243-H247 VanDerWaalsContact O-CB 3.27Å; T243-H247 WeakPolarHBondContact O-CB 3.28Å; T243-H247 PolarHBondContact O-N 3.45Å
244C62.5Low65.7Low51 Ų5184.8 Ų84.835%0.34544%0.437SS..Hα-helixtrans-66.4-31.7172.8-45.90000114.7D242 C251D242-C244 PolarHBondContact O-N 3.11Å; D242-C244 WeakPolarHBondContact OD1-CB 2.99Å; D242-C244 PolarHBondContact OD1-N 2.82Å; D242-C244 PolarHBondContact OD1-SG 3.11Å; C244-C251 WeakPolarHBondContact CA-SG 3.47Å; C244-C251 HydrophobicContact CB-CB 3.57Å; C244-C251 WeakPolarHBondContact CB-SG 3.42Å; C244-C251 PolarHBondContact N-SG 3.1Å; C244-C251 WeakPolarHBondContact SG-CB 3.36Å; C244-C251 CovalentContact SG-SG 1.98Å; C244-C251 PolarHBondContact SG-SG 3.26Å
245T65.8Low64.3Low113 Ų11388.3 Ų88.369%0.69346%0.455SS*.Hα-helixtrans-76.4-40.2-178.5-620000111.2D242 T243D242-T245 WeakPolarHBondContact O-CA 3.29Å; D242-T245 WeakPolarHBondContact O-CB 3.13Å; D242-T245 PolarHBondContact O-N 3.23Å; D242-T245 PolarHBondContact OD2-OG1 3.38Å; T243-T245 PolarHBondContact O-N 3.13Å
246E62.7Low63.2Low92 Ų9290.3 Ų90.343%0.4346%0.456SS..Hα-helixtrans-93.3-28.7179.1-64.9-170.7158.100113.3N20 Y241N20-E246 PolarHBondContact ND2-OE2 2.93Å; Y241-E246 HydrophobicContact CD1-CG 4.37Å; Y241-E246 WeakPolarHBondContact CD1-OE1 3.19Å; Y241-E246 WeakPolarHBondContact CE1-OE1 3.13Å
247H69.2Low62.4Low43 Ų4392.9 Ų92.920%0.19947%0.468CS..  trans-139.178.6-174.2-62.1-51.3000110.3R19 T243 D249 C250R19-H247 VanDerWaalsContact CD-CD2 3.49Å; R19-H247 WeakPolarHBondContact CD-CD2 3.38Å; T243-H247 CarbonylContact O-C 3.59Å; T243-H247 WeakPolarHBondContact O-CA 3.5Å; T243-H247 VanDerWaalsContact O-CB 3.27Å; T243-H247 WeakPolarHBondContact O-CB 3.28Å; T243-H247 PolarHBondContact O-N 3.45Å; H247-D249 PolarHBondContact O-N 3.46Å; H247-C250 HydrophobicContact CB-CB 4.24Å; H247-C250 VanDerWaalsContact O-CB 3.31Å; H247-C250 WeakPolarHBondContact O-CB 3.42Å; H247-C250 PolarHBondContact O-N 2.83Å
248S71.3Confident62.3Low96 Ų9695.1 Ų95.167%0.67148%0.481SS*.G310 helixtrans-55.2-23.7-178.858.70000114.2C250 C251S248-C250 PolarHBondContact O-N 2.9Å; S248-C251 PolarHBondContact O-N 2.02Å
249D73.2Confident62.5Low77 Ų77100.2 Ų100.241%0.41251%0.506SS..G310 helixtrans-69.8-18.117561.8-56.8000113.8R19 H247 C251R19-D249 IonicContact CZ-OD2 3.37Å; R19-D249 IonicContact NE-OD2 3.66Å; R19-D249 IonicContact NH2-OD1 3.95Å; R19-D249 IonicContact NH2-OD2 2.63Å; R19-D249 PolarHBondContact NH2-OD2 2.98Å; H247-D249 PolarHBondContact O-N 3.46Å; D249-C251 VanDerWaalsContact C-N 3.27Å; D249-C251 PolarHBondContact O-N 2.95Å
250C73.7Confident63.1Low22 Ų2291.4 Ų91.415%0.14948%0.482CS..G310 helixtrans-83.63.1176.7-780000114.7C16 H247 S248C16-C250 VanDerWaalsContact CA-SG 3.55Å; C16-C250 HydrophobicContact CB-CB 3.74Å; C16-C250 WeakPolarHBondContact CB-SG 2.97Å; C16-C250 WeakPolarHBondContact SG-CA 3.5Å; C16-C250 WeakPolarHBondContact SG-CB 3.05Å; C16-C250 CovalentContact SG-SG 2.03Å; C16-C250 PolarHBondContact SG-SG 2.98Å; H247-C250 HydrophobicContact CB-CB 4.24Å; H247-C250 VanDerWaalsContact O-CB 3.31Å; H247-C250 WeakPolarHBondContact O-CB 3.42Å; H247-C250 PolarHBondContact O-N 2.83Å; S248-C250 PolarHBondContact O-N 2.9Å
251C66.3Low63.9Low53 Ų5386.7 Ų86.736%0.35847%0.465SS..  trans-12532.8-170-68.10000114.4C244 S248 D249C244-C251 WeakPolarHBondContact CA-SG 3.47Å; C244-C251 HydrophobicContact CB-CB 3.57Å; C244-C251 WeakPolarHBondContact CB-SG 3.42Å; C244-C251 PolarHBondContact N-SG 3.1Å; C244-C251 WeakPolarHBondContact SG-CB 3.36Å; C244-C251 CovalentContact SG-SG 1.98Å; C244-C251 PolarHBondContact SG-SG 3.26Å; S248-C251 PolarHBondContact O-N 2.02Å; D249-C251 VanDerWaalsContact C-N 3.27Å; D249-C251 PolarHBondContact O-N 2.95Å
252Q57.2Low64.9Low245 Ų24583.5 Ų83.5100%1.14546%0.464SS*.  trans-93.10169.2-65.7-172.9-0.800111.1

Retrieved 252 of 252 residues in 451.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).