A0A087XU63_POEFO Loading...

tRNA (guanine-N(7)-)-methyltransferase

Catalyzes the formation of N(7)-methylguanine at position 46 (m7G46) in tRNA.

AlphaFold DB , UniProt , Accession A0A087XU63, Species POEFO (Poecilia formosa, Amazon molly), Gene METTL1, Length 242 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.1Very low76.2Confident242 Ų242101.5 Ų101.5100%1.19254%0.54SS*.  0117.10-63.9179.1-168.400106.6S3M1-S3 PolarHBondContact O-N 3.4Å
2A47.5Very low77.3Confident100 Ų10096.4 Ų96.483%0.82651%0.509SS*.  trans-63.5126.8173.800000107.4T4A2-T4 PolarHBondContact O-N 2.93Å
3S54.9Low77.3Confident105 Ų105104.7 Ų104.773%0.73453%0.529SS*.  trans-63.6111.1175.159.60000108.1M1 S5M1-S3 PolarHBondContact O-N 3.4Å; S3-S5 PolarHBondContact O-N 3.31Å
4T71.8Confident77.9Confident59 Ų59103.4 Ų103.436%0.36252%0.52SS..  trans-57.7117.4171.6-51.60000107.5A2 E104 M105A2-T4 PolarHBondContact O-N 2.93Å; T4-E104 WeakPolarHBondContact CB-OE2 3.35Å; T4-E104 HydrophobicContact CG2-CB 4Å; T4-E104 WeakPolarHBondContact CG2-OE2 3.42Å; T4-E104 PolarHBondContact OG1-OE2 3.49Å; T4-M105 HydrophobicContact CG2-CE 3.94Å; T4-M105 WeakPolarHBondContact O-CE 3.3Å
5S85.3Confident78.2Confident83 Ų83110.9 Ų110.958%0.5854%0.54SS*.  trans-121.5140.8-178.270.40000108.9S3 S101S3-S5 PolarHBondContact O-N 3.31Å; S5-S101 PolarHBondContact O-OG 2.57Å
6M92.3Very high78.1Confident70 Ų70107.9 Ų107.935%0.34554%0.538SS..PPolyproline II helixtrans-60.3138.3179-71.7-66.4-79.400110.2Q8 R98 L102 M105M6-Q8 PolarHBondContact O-N 2.91Å; M6-R98 HydrophobicContact CE-CG 3.63Å; M6-L102 HydrophobicContact CE-CD2 4.14Å; M6-L102 HydrophobicContact CE-CG 4.16Å; M6-L102 HydrophobicContact SD-CD2 4.31Å; M6-L102 HydrophobicContact SD-CG 4.31Å; M6-M105 HydrophobicContact CG-CE 3.91Å; M6-M105 HydrophobicContact CG-SD 4.15Å; M6-M105 HydrophobicContact SD-CE 4.13Å; M6-M105 HydrophobicContact SD-SD 4.03Å
7P92.6Very high78.2Confident16 Ų16108.5 Ų108.510%0.10454%0.539CS..PPolyproline II helixtrans-61.5143.1177.527.5-35.8000110Y12 Y94 D97 R98P7-Y12 HydrophobicContact CB-CE2 3.91Å; P7-Y94 HydrophobicContact CB-CD2 3.87Å; P7-Y94 HydrophobicContact CB-CE2 3.82Å; P7-Y94 HydrophobicContact CG-CD2 4.02Å; P7-Y94 HydrophobicContact CG-CE2 3.76Å; P7-Y94 VanDerWaalsContact O-CE2 3.22Å; P7-Y94 WeakPolarHBondContact O-CE2 3.47Å; P7-Y94 PolarHBondContact O-OH 2.93Å; P7-D97 HydrophobicContact CB-CB 4.15Å; P7-D97 HydrophobicContact CG-CB 4.12Å; P7-R98 HydrophobicContact CG-CB 3.76Å
8Q89.9Confident78.4Confident90 Ų90103.9 Ų103.942%0.42152%0.521SS..PPolyproline II helixtrans-100.2118.5-180-59.8-178.4-3.900110.2M6 R10 Y11 Y12M6-Q8 PolarHBondContact O-N 2.91Å; Q8-R10 HydrophobicContact CB-CG 4.16Å; Q8-R10 PolarHBondContact O-N 2.95Å; Q8-Y11 HydrophobicContact CB-CD2 3.77Å; Q8-Y11 HydrophobicContact CB-CE2 3.88Å; Q8-Y11 HydrophobicContact CG-CE2 4.36Å; Q8-Y11 PolarHBondContact O-N 2.84Å; Q8-Y12 WeakPolarHBondContact O-CD2 3.42Å
9K85.6Confident78.8Confident58 Ų58101.6 Ų101.625%0.25251%0.51SS..G310 helixtrans-51.3-29.8-176-69.2179.2-178.31520114.3Y11 Y12 R13 Y66 Y94 E218K9-Y11 PolarHBondContact O-N 3.14Å; K9-Y11 VanDerWaalsContact O-N 3.14Å; K9-Y12 CarbonylContact O-C 3.44Å; K9-Y12 PolarHBondContact O-N 3.25Å; K9-R13 PolarHBondContact O-N 3.04Å; K9-Y66 HydrophobicContact CD-CD1 4.25Å; K9-Y66 HydrophobicContact CD-CE1 4.37Å; K9-Y66 HydrophobicContact CD-CG 4.34Å; K9-Y66 HydrophobicContact CG-CD1 4.16Å; K9-Y66 HydrophobicContact CG-CE1 4.12Å; K9-Y94 HydrophobicContact CB-CE2 4.21Å; K9-Y94 HydrophobicContact CG-CD2 4.15Å; K9-Y94 HydrophobicContact CG-CE1 4.13Å; K9-Y94 HydrophobicContact CG-CE2 3.44Å; K9-Y94 VanDerWaalsContact CG-CE2 3.44Å; K9-Y94 VanDerWaalsContact CG-CZ 3.44Å; K9-E218 VanDerWaalsContact NZ-CG 3.33Å; K9-E218 IonicContact NZ-OE1 3.76Å; K9-E218 PolarHBondContact NZ-OE1 2.87Å; K9-E218 IonicContact NZ-OE2 3.47Å; K9-E218 PolarHBondContact NZ-OE2 3.22Å
10R88.4Confident79Confident148 Ų14896.9 Ų96.956%0.55849%0.487SS*.G310 helixtrans-55.8-28.9178.666.2177.5174.6174.1-1.4113.4Q8Q8-R10 HydrophobicContact CB-CG 4.16Å; Q8-R10 PolarHBondContact O-N 2.95Å
11Y88.9Confident79.3Confident145 Ų14596.4 Ų96.457%0.56948%0.484SS*.G310 helixtrans-86.8-7.7179.2-56.9-56.2000114Q8 K9Q8-Y11 HydrophobicContact CB-CD2 3.77Å; Q8-Y11 HydrophobicContact CB-CE2 3.88Å; Q8-Y11 HydrophobicContact CG-CE2 4.36Å; Q8-Y11 PolarHBondContact O-N 2.84Å; K9-Y11 PolarHBondContact O-N 3.14Å; K9-Y11 VanDerWaalsContact O-N 3.14Å
12Y89.3Confident81.3Confident41 Ų4186.3 Ų86.316%0.16144%0.44CS..G310 helixtrans-120.324-175.5-61.2-100.9000111.4P7 Q8 K9 Q14 K90 D93 Y94 D97P7-Y12 HydrophobicContact CB-CE2 3.91Å; Q8-Y12 WeakPolarHBondContact O-CD2 3.42Å; K9-Y12 CarbonylContact O-C 3.44Å; K9-Y12 PolarHBondContact O-N 3.25Å; Y12-Q14 PolarHBondContact O-N 3.01Å; Y12-K90 WeakPolarHBondContact CB-O 3.32Å; Y12-K90 WeakPolarHBondContact CD1-O 3.43Å; Y12-K90 WeakPolarHBondContact O-CB 2.86Å; Y12-D93 HydrophobicContact CD1-CB 4.09Å; Y12-D93 HydrophobicContact CE1-CB 4.02Å; Y12-Y94 AromaticContact CD2-CD2 3.69Å; Y12-Y94 HydrophobicContact CD2-CD2 3.69Å; Y12-Y94 HydrophobicContact CD2-CG 4.5Å; Y12-Y94 HydrophobicContact CE2-CD2 4.11Å; Y12-Y94 AromaticContact CG-CD2 3.94Å; Y12-Y94 HydrophobicContact CG-CD2 3.94Å; Y12-Y94 HydrophobicContact CG-CG 4.33Å; Y12-D97 PolarHBondContact OH-OD2 2.93Å
13R78.1Confident82.8Confident204 Ų20491 Ų9177%0.7744%0.444SS*.  trans-69127.9-179.3-74.6-177.7175.1-1760.8110.7K9K9-R13 PolarHBondContact O-N 3.04Å
14Q85.8Confident84Confident86 Ų8689 Ų8940%0.40242%0.423SS..  trans-137.6166.1170.8-173.4167.311.800108.7Y12 A16 K90Y12-Q14 PolarHBondContact O-N 3.01Å; Q14-A16 PolarHBondContact O-N 3.14Å; Q14-K90 HydrophobicContact CB-CB 4.16Å
15R81.9Confident84.6Confident217 Ų21792.2 Ų92.282%0.81944%0.443SS*.  trans-54.8140.2171.2-67.6-175.8-178.91790.8110H17 R88R15-H17 PolarHBondContact O-N 2.97Å; R15-R88 WeakPolarHBondContact O-CD 3.17Å
16A77.1Confident84.7Confident63 Ų6389.2 Ų89.252%0.52142%0.419SS..SBendtrans-59.5-33.7-178.500000112.5Q14 R88Q14-A16 PolarHBondContact O-N 3.14Å; A16-R88 PolarHBondContact O-NH1 3.27Å
17H79.1Confident84.5Confident117 Ų11792.9 Ų92.954%0.54244%0.44SS..  trans-111.4139.6-173.8-50.5-65.6000111.2R15 D142R15-H17 PolarHBondContact O-N 2.97Å; H17-D142 WeakPolarHBondContact CB-OD2 3.35Å; H17-D142 IonicContact CE1-OD1 3.68Å; H17-D142 IonicContact CE1-OD2 3.53Å; H17-D142 IonicContact CG-OD2 3.05Å; H17-D142 IonicContact ND1-OD1 3.89Å; H17-D142 IonicContact ND1-OD2 3.55Å; H17-D142 PolarHBondContact ND1-OD2 3.38Å
18A82.1Confident84.4Confident27 Ų2797 Ų9722%0.22346%0.455CS..  trans-116.5148169.900000109.5P20 I87 R88A18-P20 VanDerWaalsContact O-CD 3.26Å; A18-P20 WeakPolarHBondContact O-CD 3.29Å; A18-I87 HydrophobicContact CB-CD1 4.42Å; A18-I87 HydrophobicContact CB-CG2 3.62Å; A18-R88 HydrophobicContact CB-CG 4.08Å
19N85.8Confident84.6Confident59 Ų5993.4 Ų93.432%0.31644%0.439SS..  trans-80.5113169.5177.52000108.3M21 A22 H24 W152N19-M21 PolarHBondContact O-N 2.96Å; N19-M21 WeakPolarHBondContact OD1-CB 3.49Å; N19-M21 PolarHBondContact OD1-N 3.46Å; N19-A22 HydrophobicContact CB-CB 4.06Å; N19-A22 WeakPolarHBondContact O-CB 3.5Å; N19-A22 PolarHBondContact O-N 2.82Å; N19-H24 PolarHBondContact O-NE2 3.03Å; N19-W152 HydrophobicContact CB-CH2 4.47Å; N19-W152 WeakPolarHBondContact OD1-CZ2 3.36Å
20P83.6Confident85Confident8 Ų895.7 Ų95.75%0.05246%0.458CS..THydrogen-bonded Turntrans-67.5-20.8179.827.8-34.2000112.5A18 I87 N119 M121 K122 W152A18-P20 VanDerWaalsContact O-CD 3.26Å; A18-P20 WeakPolarHBondContact O-CD 3.29Å; P20-I87 HydrophobicContact CB-CD1 4.29Å; P20-N119 PolarHBondContact O-ND2 3.41Å; P20-M121 HydrophobicContact CB-CE 4.47Å; P20-M121 HydrophobicContact CB-SD 3.4Å; P20-M121 WeakPolarHBondContact CB-SD 3.5Å; P20-M121 HydrophobicContact CG-CE 4.26Å; P20-M121 HydrophobicContact CG-SD 3.58Å; P20-M121 VanDerWaalsContact CG-SD 3.58Å; P20-K122 VanDerWaalsContact O-CE 3.27Å; P20-K122 WeakPolarHBondContact O-CE 3.19Å; P20-K122 PolarHBondContact O-NZ 3.08Å; P20-W152 HydrophobicContact CG-CB 3.78Å; P20-W152 HydrophobicContact CG-CG 3.98Å
21M83.9Confident85.2Confident86 Ų8690.6 Ų90.642%0.42444%0.444SS..THydrogen-bonded Turntrans-88.5-7.3179.5-59.4-59.817500113.4N19 M121N19-M21 PolarHBondContact O-N 2.96Å; N19-M21 WeakPolarHBondContact OD1-CB 3.49Å; N19-M21 PolarHBondContact OD1-N 3.46Å; M21-M121 HydrophobicContact CE-CE 4.06Å
22A83.6Confident85.5Confident31 Ų3184.4 Ų84.426%0.25642%0.421SS..SBendtrans-66.2155.7176.900000111.7N19 H24N19-A22 HydrophobicContact CB-CB 4.06Å; N19-A22 WeakPolarHBondContact O-CB 3.5Å; N19-A22 PolarHBondContact O-N 2.82Å; A22-H24 PolarHBondContact O-CD2 3.11Å; A22-H24 VanDerWaalsContact O-CD2 3.31Å; A22-H24 PolarHBondContact O-N 3.09Å
23H78.4Confident85.7Confident197 Ų19788.5 Ų88.591%0.91244%0.442SS*.  trans-73.7107.5170.7-64.5-76.1000108.8
24H80.9Confident86.4Confident64 Ų6484.5 Ų84.530%0.29643%0.432SS..  trans-119146.2171.1-62.6-89.5000107.7N19 A22 F26N19-H24 PolarHBondContact O-NE2 3.03Å; A22-H24 PolarHBondContact O-CD2 3.11Å; A22-H24 VanDerWaalsContact O-CD2 3.31Å; A22-H24 PolarHBondContact O-N 3.09Å; H24-F26 HydrophobicContact CB-CD2 3.94Å; H24-F26 HydrophobicContact CB-CE1 4.18Å; H24-F26 HydrophobicContact CB-CE2 3.33Å; H24-F26 HydrophobicContact CB-CZ 3.43Å; H24-F26 VanDerWaalsContact CB-CZ 3.43Å; H24-F26 AromaticContact CD2-CZ 3.97Å; H24-F26 AromaticContact CG-CZ 3.77Å
25T85.3Confident86.8Confident127 Ų12782 Ų8278%0.77942%0.421SS*.  trans-83.6113.9167.4-45.50000108.3R117T25-R117 PolarHBondContact O-NH1 2.79Å
26F86.9Confident87.3Confident19 Ų1973.5 Ų73.58%0.08339%0.392CS..  trans-114.8146.9171-61.1-72.2000108.8H24 Y28 I87 R117 N119 Y123H24-F26 HydrophobicContact CB-CD2 3.94Å; H24-F26 HydrophobicContact CB-CE1 4.18Å; H24-F26 HydrophobicContact CB-CE2 3.33Å; H24-F26 HydrophobicContact CB-CZ 3.43Å; H24-F26 VanDerWaalsContact CB-CZ 3.43Å; H24-F26 AromaticContact CD2-CZ 3.97Å; H24-F26 AromaticContact CG-CZ 3.77Å; F26-Y28 HydrophobicContact CB-CD1 4.1Å; F26-Y28 WeakPolarHBondContact O-CD1 3.38Å; F26-I87 HydrophobicContact CE1-CG1 4.11Å; F26-I87 HydrophobicContact CZ-CD1 4.27Å; F26-I87 HydrophobicContact CZ-CG1 3.66Å; F26-R117 HydrophobicContact CD1-CG 4.36Å; F26-R117 HydrophobicContact CE1-CG 4.3Å; F26-N119 HydrophobicContact CD2-CB 4.41Å; F26-N119 HydrophobicContact CE2-CB 3.72Å; F26-N119 HydrophobicContact CZ-CB 3.88Å; F26-Y123 HydrophobicContact CB-CE2 4.4Å; F26-Y123 HydrophobicContact CD2-CD2 4.4Å; F26-Y123 AromaticContact CD2-CE2 3.66Å; F26-Y123 HydrophobicContact CD2-CE2 3.66Å; F26-Y123 HydrophobicContact CE2-CE2 4.3Å; F26-Y123 HydrophobicContact CG-CE2 4.33Å
27D87.6Confident88.2Confident148 Ų14871.8 Ų71.879%0.79137%0.372SS*.  trans-90.5115.3164.8-168.310.6000107
28Y90.8Very high88.9Confident103 Ų10367.1 Ų67.140%0.40435%0.352SS..  trans-141.3141.1179.861.2-84.4000108.8F26 Y123F26-Y28 HydrophobicContact CB-CD1 4.1Å; F26-Y28 WeakPolarHBondContact O-CD1 3.38Å; Y28-Y123 HydrophobicContact CD1-CD1 4.12Å; Y28-Y123 HydrophobicContact CD1-CD2 4.39Å; Y28-Y123 AromaticContact CD1-CE1 3.88Å; Y28-Y123 HydrophobicContact CD1-CE1 3.88Å; Y28-Y123 HydrophobicContact CD1-CE2 4.18Å; Y28-Y123 HydrophobicContact CD1-CG 4.36Å; Y28-Y123 AromaticContact CD1-CZ 3.91Å; Y28-Y123 AromaticContact CD2-CD1 3.6Å; Y28-Y123 HydrophobicContact CD2-CD1 3.6Å; Y28-Y123 AromaticContact CD2-CE1 3.81Å; Y28-Y123 HydrophobicContact CD2-CE1 3.81Å; Y28-Y123 HydrophobicContact CD2-CG 4.26Å; Y28-Y123 HydrophobicContact CE1-CD1 4.32Å; Y28-Y123 AromaticContact CE1-CE1 3.66Å; Y28-Y123 HydrophobicContact CE1-CE1 3.66Å; Y28-Y123 HydrophobicContact CE1-CE2 4.36Å; Y28-Y123 AromaticContact CE1-CZ 3.67Å; Y28-Y123 AromaticContact CE2-CD1 3.81Å; Y28-Y123 HydrophobicContact CE2-CD1 3.81Å; Y28-Y123 AromaticContact CE2-CE1 3.57Å; Y28-Y123 HydrophobicContact CE2-CE1 3.57Å; Y28-Y123 AromaticContact CG-CD1 3.77Å; Y28-Y123 HydrophobicContact CG-CD1 3.77Å; Y28-Y123 HydrophobicContact CG-CD2 4.45Å; Y28-Y123 AromaticContact CG-CE1 3.97Å; Y28-Y123 HydrophobicContact CG-CE1 3.97Å; Y28-Y123 HydrophobicContact CG-CG 4.02Å; Y28-Y123 AromaticContact CZ-CE1 3.49Å; Y28-Y123 VanDerWaalsContact CZ-CE1 3.49Å; Y28-Y123 AromaticContact CZ-CZ 3.96Å
29P93.7Very high89.4Confident14 Ų1473.5 Ų73.59%0.09138%0.375CS..  trans-70.6158.3178.733.6-38.9000110.6C31 E34 M35 N126 F127P29-C31 WeakPolarHBondContact CB-O 3.48Å; P29-E34 HydrophobicContact CB-CB 4.08Å; P29-M35 HydrophobicContact CB-CB 4.33Å; P29-M35 HydrophobicContact CG-CB 4.1Å; P29-M35 HydrophobicContact CG-SD 4.19Å; P29-N126 HydrophobicContact CG-CB 4.38Å; P29-N126 VanDerWaalsContact CG-O 3.25Å; P29-N126 WeakPolarHBondContact CG-O 3.22Å; P29-N126 WeakPolarHBondContact O-CB 3.19Å; P29-N126 PolarHBondContact O-ND2 3.46Å; P29-F127 HydrophobicContact CG-CD1 3.93Å; P29-F127 HydrophobicContact CG-CE1 4.11Å
30V93.6Very high89.9Confident106 Ų10672.2 Ų72.264%0.64237%0.368SS*.SBendtrans-66.9-42.5174.4179.20000110.1E34 N126V30-E34 VanDerWaalsContact CB-OE2 3.32Å; V30-E34 WeakPolarHBondContact CB-OE2 3.37Å; V30-E34 WeakPolarHBondContact CG2-OE2 3.34Å; V30-E34 PolarHBondContact N-OE2 3.07Å; V30-N126 PolarHBondContact O-ND2 2.61Å
31C94.1Very high90.5Very high40 Ų4071.9 Ų71.927%0.2737%0.366SS..SBendtrans-144.9165.6176.862.70000111.3P29 E33 E34 N126P29-C31 WeakPolarHBondContact CB-O 3.48Å; C31-E33 VanDerWaalsContact CB-OE2 3.3Å; C31-E33 WeakPolarHBondContact CB-OE2 3.48Å; C31-E33 PolarHBondContact O-N 2.65Å; C31-E33 VanDerWaalsContact O-N 3.11Å; C31-E33 PolarHBondContact SG-OE2 3.45Å; C31-E34 PolarHBondContact O-N 3.45Å; C31-N126 CarbonylContact C-O 3.58Å
32P94.9Very high91Very high15 Ų1570.9 Ų70.910%0.09737%0.365CS..G310 helixtrans-56.1-30.2-175.7-28.837.1000114.8E34 M35 P125 N126 F128 F129P32-E34 VanDerWaalsContact C-N 3.26Å; P32-E34 PolarHBondContact O-N 2.63Å; P32-M35 WeakPolarHBondContact O-CB 3.34Å; P32-M35 PolarHBondContact O-N 2.96Å; P32-P125 WeakPolarHBondContact CG-O 3.33Å; P32-N126 VanDerWaalsContact CA-O 3.25Å; P32-N126 WeakPolarHBondContact CA-O 3.34Å; P32-N126 WeakPolarHBondContact CD-O 3.36Å; P32-F128 VanDerWaalsContact CG-C 3.45Å; P32-F128 WeakPolarHBondContact CG-O 3.44Å; P32-F129 HydrophobicContact CB-CD1 3.9Å; P32-F129 HydrophobicContact CB-CD2 3.92Å; P32-F129 HydrophobicContact CB-CE1 3.92Å; P32-F129 HydrophobicContact CB-CE2 3.89Å; P32-F129 HydrophobicContact CB-CG 3.9Å; P32-F129 HydrophobicContact CB-CZ 3.89Å
33E92.4Very high91.4Very high127 Ų12774.6 Ų74.659%0.59338%0.381SS*.G310 helixtrans-64.3-27.6177.7-61.679.5-179.600113.2C31 M35 F129C31-E33 VanDerWaalsContact CB-OE2 3.3Å; C31-E33 WeakPolarHBondContact CB-OE2 3.48Å; C31-E33 PolarHBondContact O-N 2.65Å; C31-E33 VanDerWaalsContact O-N 3.11Å; C31-E33 PolarHBondContact SG-OE2 3.45Å; E33-M35 VanDerWaalsContact C-N 3.33Å; E33-F129 HydrophobicContact CB-CZ 4.49Å; E33-F129 HydrophobicContact CG-CE1 3.72Å; E33-F129 HydrophobicContact CG-CZ 3.89Å; E33-F129 VanDerWaalsContact OE1-CE1 3.27Å; E33-F129 WeakPolarHBondContact OE1-CE1 3.46Å
34E93.1Very high92.1Very high121 Ų12168.5 Ų68.557%0.56536%0.355SS*.G310 helixtrans-87.3-3-179.9-67-174.8-175.500113P29 V30 C31 P32 D36P29-E34 HydrophobicContact CB-CB 4.08Å; V30-E34 VanDerWaalsContact CB-OE2 3.32Å; V30-E34 WeakPolarHBondContact CB-OE2 3.37Å; V30-E34 WeakPolarHBondContact CG2-OE2 3.34Å; V30-E34 PolarHBondContact N-OE2 3.07Å; C31-E34 PolarHBondContact O-N 3.45Å; P32-E34 VanDerWaalsContact C-N 3.26Å; P32-E34 PolarHBondContact O-N 2.63Å; E34-D36 PolarHBondContact O-N 3.09Å
35M93.6Very high92.6Very high32 Ų3265.9 Ų65.916%0.15834%0.343CS..  trans-77.7111.4180-173.258.4-160.700111.7P29 P32 E33 W37 L40 L116 F127P29-M35 HydrophobicContact CB-CB 4.33Å; P29-M35 HydrophobicContact CG-CB 4.1Å; P29-M35 HydrophobicContact CG-SD 4.19Å; P32-M35 WeakPolarHBondContact O-CB 3.34Å; P32-M35 PolarHBondContact O-N 2.96Å; E33-M35 VanDerWaalsContact C-N 3.33Å; M35-W37 HydrophobicContact CB-CZ2 4.38Å; M35-W37 HydrophobicContact CE-CD2 4.33Å; M35-W37 HydrophobicContact CE-CE3 3.95Å; M35-W37 HydrophobicContact CE-CH2 4.36Å; M35-W37 HydrophobicContact CE-CZ3 3.96Å; M35-W37 HydrophobicContact CG-CD2 3.76Å; M35-W37 HydrophobicContact CG-CE3 4.24Å; M35-W37 HydrophobicContact CG-CG 4.23Å; M35-W37 HydrophobicContact CG-CH2 4.06Å; M35-W37 HydrophobicContact CG-CZ2 3.57Å; M35-W37 HydrophobicContact CG-CZ3 4.37Å; M35-W37 PolarHBondContact O-N 3.01Å; M35-W37 VanDerWaalsContact O-N 3.15Å; M35-L40 HydrophobicContact CE-CD1 4.19Å; M35-L116 HydrophobicContact CE-CD1 3.71Å; M35-F127 HydrophobicContact CG-CD1 4.42Å; M35-F127 HydrophobicContact SD-CD1 3.88Å; M35-F127 HydrophobicContact SD-CE1 4.1Å
36D93.3Very high92.3Very high39 Ų3966.1 Ų66.121%0.20935%0.347CS..  trans-82.689.6174.2-179.512.9000111.9E34 S38 K39E34-D36 PolarHBondContact O-N 3.09Å; D36-S38 VanDerWaalsContact C-N 3.26Å; D36-S38 PolarHBondContact O-N 2.93Å; D36-S38 WeakPolarHBondContact OD1-CB 3.49Å; D36-S38 PolarHBondContact OD1-N 3.38Å; D36-S38 PolarHBondContact OD1-OG 3.44Å; D36-K39 HydrophobicContact CB-CD 4.45Å; D36-K39 WeakPolarHBondContact OD2-CE 3.39Å; D36-K39 IonicContact OD2-NZ 3.56Å
37W94.9Very high91.8Very high28 Ų2866.2 Ų66.211%0.10635%0.353CS..G310 helixtrans-69.9-17.3178.6-65.1107.7000114.2M35 K39 L40 Y41 I45 V57 L83 F127 F128M35-W37 HydrophobicContact CB-CZ2 4.38Å; M35-W37 HydrophobicContact CE-CD2 4.33Å; M35-W37 HydrophobicContact CE-CE3 3.95Å; M35-W37 HydrophobicContact CE-CH2 4.36Å; M35-W37 HydrophobicContact CE-CZ3 3.96Å; M35-W37 HydrophobicContact CG-CD2 3.76Å; M35-W37 HydrophobicContact CG-CE3 4.24Å; M35-W37 HydrophobicContact CG-CG 4.23Å; M35-W37 HydrophobicContact CG-CH2 4.06Å; M35-W37 HydrophobicContact CG-CZ2 3.57Å; M35-W37 HydrophobicContact CG-CZ3 4.37Å; M35-W37 PolarHBondContact O-N 3.01Å; M35-W37 VanDerWaalsContact O-N 3.15Å; W37-K39 PolarHBondContact O-N 2.95Å; W37-L40 HydrophobicContact CE3-CD1 3.98Å; W37-L40 HydrophobicContact CZ3-CD1 3.94Å; W37-L40 PolarHBondContact O-N 3.27Å; W37-Y41 HydrophobicContact CB-CD2 4.41Å; W37-Y41 HydrophobicContact CE3-CD2 4.43Å; W37-Y41 AromaticContact CE3-CE2 3.85Å; W37-Y41 HydrophobicContact CE3-CE2 3.85Å; W37-Y41 HydrophobicContact CZ3-CE2 4.42Å; W37-Y41 PolarHBondContact O-N 3.49Å; W37-Y41 VanDerWaalsContact O-N 3.07Å; W37-I45 HydrophobicContact CB-CD1 3.59Å; W37-V57 HydrophobicContact CD2-CG2 4.12Å; W37-V57 HydrophobicContact CE3-CG2 3.76Å; W37-V57 HydrophobicContact CH2-CG2 3.96Å; W37-V57 HydrophobicContact CZ2-CG2 4.27Å; W37-V57 HydrophobicContact CZ3-CG2 3.68Å; W37-L83 HydrophobicContact CH2-CD2 3.69Å; W37-L83 HydrophobicContact CZ3-CD1 4.18Å; W37-L83 HydrophobicContact CZ3-CD2 3.69Å; W37-L83 HydrophobicContact CZ3-CG 4.46Å; W37-F127 HydrophobicContact CH2-CB 4.45Å; W37-F127 HydrophobicContact CZ2-CB 4.49Å; W37-F127 WeakPolarHBondContact CZ2-O 3.45Å; W37-F128 HydrophobicContact CH2-CD1 4.41Å; W37-F128 AromaticContact CH2-CE1 3.7Å; W37-F128 HydrophobicContact CH2-CE1 3.7Å; W37-F128 HydrophobicContact CH2-CZ 4.32Å; W37-F128 HydrophobicContact CZ2-CD1 4.15Å; W37-F128 AromaticContact CZ2-CE1 3.87Å; W37-F128 HydrophobicContact CZ2-CE1 3.87Å
38S93.8Very high91Very high19 Ų1964.1 Ų64.113%0.13335%0.348CS..G310 helixtrans-61.8-29.8-178.673.20000112.6D36 L40 Y41 P42 I45D36-S38 VanDerWaalsContact C-N 3.26Å; D36-S38 PolarHBondContact O-N 2.93Å; D36-S38 WeakPolarHBondContact OD1-CB 3.49Å; D36-S38 PolarHBondContact OD1-N 3.38Å; D36-S38 PolarHBondContact OD1-OG 3.44Å; S38-L40 VanDerWaalsContact C-N 3.26Å; S38-L40 PolarHBondContact O-N 2.93Å; S38-Y41 CarbonylContact O-C 3.46Å; S38-P42 WeakPolarHBondContact O-CA 3.34Å; S38-P42 WeakPolarHBondContact O-CD 3.18Å; S38-P42 VanDerWaalsContact O-N 3.13Å; S38-I45 WeakPolarHBondContact CA-O 2.93Å; S38-I45 WeakPolarHBondContact CB-O 3.48Å
39K93.8Very high89.4Confident160 Ų16062.7 Ų62.770%0.69635%0.353SS*.G310 helixtrans-63.4-30.3175-68.5170.9178.7159.70113.3D36 W37D36-K39 HydrophobicContact CB-CD 4.45Å; D36-K39 WeakPolarHBondContact OD2-CE 3.39Å; D36-K39 IonicContact OD2-NZ 3.56Å; W37-K39 PolarHBondContact O-N 2.95Å
40L96.4Very high87.4Confident33 Ų3368 Ų6817%0.17339%0.39CS..THydrogen-bonded Turntrans-94.2-33.2-177.5-64.7-174000112.3M35 W37 S38 P42 L83 R103 A114 L116M35-L40 HydrophobicContact CE-CD1 4.19Å; W37-L40 HydrophobicContact CE3-CD1 3.98Å; W37-L40 HydrophobicContact CZ3-CD1 3.94Å; W37-L40 PolarHBondContact O-N 3.27Å; S38-L40 VanDerWaalsContact C-N 3.26Å; S38-L40 PolarHBondContact O-N 2.93Å; L40-P42 VanDerWaalsContact C-CD 3.43Å; L40-L83 HydrophobicContact CD1-CD1 3.74Å; L40-R103 PolarHBondContact O-NH1 3.25Å; L40-R103 PolarHBondContact O-NH2 2.98Å; L40-A114 HydrophobicContact CB-CB 3.73Å; L40-A114 HydrophobicContact CD1-CB 4.21Å; L40-A114 HydrophobicContact CD2-CB 4.32Å; L40-A114 HydrophobicContact CG-CB 4.31Å; L40-L116 HydrophobicContact CD1-CB 4.5Å; L40-L116 HydrophobicContact CD1-CD1 4.16Å
41Y96.6Very high85.3Confident1 Ų170 Ų700%0.00439%0.393CS..  trans-127.556.8-175.7-49.6-79000112W37 S38 D43 L44 I45 V57 L81 M82 Q111 N112 A114W37-Y41 HydrophobicContact CB-CD2 4.41Å; W37-Y41 HydrophobicContact CE3-CD2 4.43Å; W37-Y41 AromaticContact CE3-CE2 3.85Å; W37-Y41 HydrophobicContact CE3-CE2 3.85Å; W37-Y41 HydrophobicContact CZ3-CE2 4.42Å; W37-Y41 PolarHBondContact O-N 3.49Å; W37-Y41 VanDerWaalsContact O-N 3.07Å; S38-Y41 CarbonylContact O-C 3.46Å; Y41-D43 VanDerWaalsContact C-N 3.27Å; Y41-D43 PolarHBondContact O-N 2.64Å; Y41-L44 PolarHBondContact O-N 3.06Å; Y41-I45 HydrophobicContact CD2-CD1 4.24Å; Y41-I45 PolarHBondContact O-N 3.04Å; Y41-V57 HydrophobicContact CE2-CG2 3.65Å; Y41-L81 HydrophobicContact CD1-CD2 3.77Å; Y41-L81 HydrophobicContact CD2-CD1 4.15Å; Y41-L81 HydrophobicContact CE1-CB 4.43Å; Y41-L81 HydrophobicContact CE1-CD2 4.13Å; Y41-L81 HydrophobicContact CE2-CD1 4.45Å; Y41-L81 HydrophobicContact CG-CD1 4.22Å; Y41-L81 HydrophobicContact CG-CD2 4.08Å; Y41-M82 PolarHBondContact OH-O 3.1Å; Y41-Q111 WeakPolarHBondContact CD1-O 3.3Å; Y41-N112 WeakPolarHBondContact CE1-O 3.1Å; Y41-A114 HydrophobicContact CD1-CB 4.37Å; Y41-A114 HydrophobicContact CE1-CB 3.65Å; Y41-A114 HydrophobicContact CE2-CB 4.31Å
42P93.9Very high83.5Confident64 Ų6473.3 Ų73.342%0.41641%0.412SS..THydrogen-bonded Turntrans-61.4-32.8-169.924.5-35.3000113.9S38 L40 L44S38-P42 WeakPolarHBondContact O-CA 3.34Å; S38-P42 WeakPolarHBondContact O-CD 3.18Å; S38-P42 VanDerWaalsContact O-N 3.13Å; L40-P42 VanDerWaalsContact C-CD 3.43Å; P42-L44 VanDerWaalsContact C-N 3.28Å; P42-L44 PolarHBondContact O-N 3.33Å
43D91.9Very high82.1Confident110 Ų11081 Ų8159%0.58845%0.447SS*.THydrogen-bonded Turntrans-75.9-18.1-179.9-67.90.4000112.8Y41 Q111Y41-D43 VanDerWaalsContact C-N 3.27Å; Y41-D43 PolarHBondContact O-N 2.64Å; D43-Q111 HydrophobicContact CB-CB 4.4Å; D43-Q111 HydrophobicContact CB-CG 4.23Å; D43-Q111 PolarHBondContact OD2-NE2 3.05Å; D43-Q111 PolarHBondContact OD2-OE1 3.18Å; D43-Q111 VanDerWaalsContact OD2-OE1 3.07Å
44L92.4Very high81.5Confident68 Ų6876.5 Ų76.536%0.35643%0.433SS..THydrogen-bonded Turntrans-112.6-22-175.9-59176.4000112.5Y41 P42 L81 Q111 N112Y41-L44 PolarHBondContact O-N 3.06Å; P42-L44 VanDerWaalsContact C-N 3.28Å; P42-L44 PolarHBondContact O-N 3.33Å; L44-L81 HydrophobicContact CB-CD2 4.4Å; L44-L81 HydrophobicContact CD1-CD2 3.4Å; L44-Q111 HydrophobicContact CD1-CB 4.15Å; L44-Q111 WeakPolarHBondContact CD1-O 3.35Å; L44-Q111 HydrophobicContact CG-CB 4.29Å; L44-N112 HydrophobicContact CD1-CB 4.09Å
45I91.3Very high81.3Confident9 Ų974.3 Ų74.35%0.04643%0.43CS..  trans-131.792179.5-56178.7000106.8W37 S38 Y41 G47 L81W37-I45 HydrophobicContact CB-CD1 3.59Å; S38-I45 WeakPolarHBondContact CA-O 2.93Å; S38-I45 WeakPolarHBondContact CB-O 3.48Å; Y41-I45 HydrophobicContact CD2-CD1 4.24Å; Y41-I45 PolarHBondContact O-N 3.04Å; I45-G47 WeakPolarHBondContact CG2-O 3.1Å; I45-G47 PolarHBondContact O-N 2.98Å; I45-G47 VanDerWaalsContact O-N 3.13Å; I45-L81 HydrophobicContact CD1-CD1 3.81Å; I45-L81 HydrophobicContact CG1-CD1 4.42Å
46P79.1Confident81.4Confident132 Ų13276.7 Ų76.786%0.85744%0.439SS*.  trans-74.3-2.3-168.628.3-34.7000114.7
47G77.8Confident81.6Confident22 Ų2274.9 Ų74.923%0.22743%0.429CS..SBendtrans-172.3170.5175.400000112.8I45 S49I45-G47 WeakPolarHBondContact CG2-O 3.1Å; I45-G47 PolarHBondContact O-N 2.98Å; I45-G47 VanDerWaalsContact O-N 3.13Å; G47-S49 PolarHBondContact O-N 3.43Å; G47-S49 PolarHBondContact O-OG 3.5Å
48P69.2Low81.8Confident104 Ų10475 Ų7568%0.67543%0.431SS*.  trans-63.998.1173.926.2-31.9000108.3S50P48-S50 PolarHBondContact O-N 3.09Å
49S59Low82Confident73 Ų7374.2 Ų74.251%0.5143%0.426SS..  trans-82.6117.5179.412.20000108.5G47 E51G47-S49 PolarHBondContact O-N 3.43Å; G47-S49 PolarHBondContact O-OG 3.5Å; S49-E51 PolarHBondContact O-N 3.25Å
50S50.2Low82.3Confident125 Ų12566.6 Ų66.687%0.87439%0.392SS*.  trans-73.1-1.9163.9176.30000112.1P48P48-S50 PolarHBondContact O-N 3.09Å
51E50.5Low82.4Confident149 Ų14965.2 Ų65.270%0.69639%0.385SS*.SBendtrans-109.8136.6-169.1-65.9-171.2173.300112.4S49 E53S49-E51 PolarHBondContact O-N 3.25Å; E51-E53 PolarHBondContact O-N 2.97Å; E51-E53 VanDerWaalsContact O-N 3.08Å
52T56.3Low82.5Confident108 Ų10865.6 Ų65.666%0.66339%0.387SS*.THydrogen-bonded Turntrans-67.3-2.5-173.934.50000115.2K56T52-K56 VanDerWaalsContact O-CE 3.32Å; T52-K56 WeakPolarHBondContact O-CE 3.4Å; T52-K56 PolarHBondContact O-NZ 3.33Å
53E65.9Low82.6Confident178 Ų17864.6 Ų64.683%0.83239%0.388SS*.THydrogen-bonded Turntrans-101.51.7-167.4-65.4-166.9159.800115.8E51E51-E53 PolarHBondContact O-N 2.97Å; E51-E53 VanDerWaalsContact O-N 3.08Å
54G78.5Confident82.9Confident31 Ų3159.7 Ų59.732%0.3236%0.363SS..SBendtrans-84.6168.8177.200000115.3K56G54-K56 PolarHBondContact O-N 3.3Å
55P90.1Very high83.1Confident75 Ų7556.6 Ų56.649%0.48735%0.347SS..  trans-55.5133.4169.8-22.533.1000111.2L81P55-L81 HydrophobicContact CB-CD1 3.87Å; P55-L81 HydrophobicContact CB-CG 4.31Å
56K95.1Very high83.3Confident83 Ų8358 Ų5836%0.36135%0.352SS..  trans-115.7150.2179.1-65.7178.8-172.2171.80110.2T52 G54 E58 Q132T52-K56 VanDerWaalsContact O-CE 3.32Å; T52-K56 WeakPolarHBondContact O-CE 3.4Å; T52-K56 PolarHBondContact O-NZ 3.33Å; G54-K56 PolarHBondContact O-N 3.3Å; K56-E58 PolarHBondContact O-N 3.46Å; K56-Q132 HydrophobicContact CB-CG 4.23Å; K56-Q132 HydrophobicContact CD-CG 4.46Å
57V98.1Very high84.2Confident0 Ų051.8 Ų51.80%031%0.312CS..EExtended strand (participates in β ladder)trans-58.5120.7166.8178.30000108.4W37 Y41 F59 L81 L83 F128 Q132 L133W37-V57 HydrophobicContact CD2-CG2 4.12Å; W37-V57 HydrophobicContact CE3-CG2 3.76Å; W37-V57 HydrophobicContact CH2-CG2 3.96Å; W37-V57 HydrophobicContact CZ2-CG2 4.27Å; W37-V57 HydrophobicContact CZ3-CG2 3.68Å; Y41-V57 HydrophobicContact CE2-CG2 3.65Å; V57-F59 WeakPolarHBondContact CG1-O 3.34Å; V57-L81 HydrophobicContact CG2-CB 4.28Å; V57-L83 HydrophobicContact CG1-CB 3.72Å; V57-L83 HydrophobicContact CG2-CB 4.48Å; V57-F128 HydrophobicContact CB-CE1 3.93Å; V57-F128 HydrophobicContact CG1-CE1 3.77Å; V57-F128 HydrophobicContact CG1-CZ 4.23Å; V57-Q132 WeakPolarHBondContact O-CG 3.33Å; V57-Q132 PolarHBondContact O-NE2 3.24Å; V57-L133 HydrophobicContact CG1-CD2 4.27Å
58E98.4Very high85.2Confident30 Ų3051 Ų5114%0.1430%0.304CS..EExtended strand (participates in β ladder)trans-109.1-28.4179.7-69.8-156.4-122.900111.7K56 K80 L81 L133 S134 K135 R168K56-E58 PolarHBondContact O-N 3.46Å; E58-K80 WeakPolarHBondContact OE1-CD 3.32Å; E58-K80 IonicContact OE1-NZ 2.84Å; E58-K80 PolarHBondContact OE1-NZ 2.87Å; E58-L81 PolarHBondContact N-O 2.76Å; E58-L133 CarbonylContact O-C 3.38Å; E58-L133 WeakPolarHBondContact O-CA 3.27Å; E58-S134 PolarHBondContact O-N 2.93Å; E58-S134 PolarHBondContact O-OG 2.91Å; E58-S134 PolarHBondContact OE2-OG 2.77Å; E58-K135 PolarHBondContact O-N 2.89Å; E58-R168 IonicContact OE2-CZ 2.79Å; E58-R168 VanDerWaalsContact OE2-CZ 3.27Å; E58-R168 IonicContact OE2-NH1 2.97Å; E58-R168 PolarHBondContact OE2-NH1 3.38Å; E58-R168 IonicContact OE2-NH2 3.73Å; E58-R168 PolarHBondContact OE2-NH2 3.43Å
59F98.8Very high86.6Confident4 Ų446.1 Ų46.12%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-113.5131.9-177.2-68.79.3000110.4V57 F77 K80 L81 M82 L83 S134 K135 F137V57-F59 WeakPolarHBondContact CG1-O 3.34Å; F59-F77 HydrophobicContact CE2-CB 4.19Å; F59-F77 HydrophobicContact CE2-CD1 4.14Å; F59-F77 AromaticContact CE2-CD2 3.85Å; F59-F77 HydrophobicContact CE2-CD2 3.85Å; F59-F77 HydrophobicContact CE2-CE2 4.25Å; F59-F77 AromaticContact CE2-CG 3.8Å; F59-F77 HydrophobicContact CE2-CG 3.8Å; F59-F77 HydrophobicContact CZ-CD1 4.04Å; F59-F77 HydrophobicContact CZ-CE1 4.34Å; F59-F77 HydrophobicContact CZ-CG 4.15Å; F59-K80 HydrophobicContact CE1-CB 4.4Å; F59-K80 HydrophobicContact CE1-CG 4.25Å; F59-K80 HydrophobicContact CE2-CB 4.33Å; F59-K80 HydrophobicContact CZ-CB 4.19Å; F59-K80 HydrophobicContact CZ-CG 3.97Å; F59-L81 PolarHBondContact N-O 3.08Å; F59-M82 HydrophobicContact CB-CB 3.91Å; F59-M82 HydrophobicContact CB-CG 3.84Å; F59-M82 HydrophobicContact CD2-CE 3.71Å; F59-M82 HydrophobicContact CD2-CG 3.97Å; F59-M82 HydrophobicContact CD2-SD 3.85Å; F59-M82 HydrophobicContact CE2-CE 3.91Å; F59-M82 HydrophobicContact CG-CG 4.25Å; F59-M82 CarbonylContact O-C 3.59Å; F59-M82 VanDerWaalsContact O-CA 3.3Å; F59-M82 WeakPolarHBondContact O-CA 3.45Å; F59-L83 PolarHBondContact O-N 3.42Å; F59-S134 WeakPolarHBondContact CE1-OG 3.41Å; F59-K135 WeakPolarHBondContact CA-O 3.35Å; F59-K135 HydrophobicContact CD1-CB 3.68Å; F59-K135 HydrophobicContact CD1-CD 4.05Å; F59-K135 HydrophobicContact CD1-CG 3.83Å; F59-K135 HydrophobicContact CD2-CD 4.35Å; F59-K135 HydrophobicContact CE1-CB 4.07Å; F59-K135 HydrophobicContact CE1-CD 3.6Å; F59-K135 HydrophobicContact CE1-CG 3.65Å; F59-K135 HydrophobicContact CE2-CD 3.9Å; F59-K135 HydrophobicContact CG-CB 4.03Å; F59-K135 HydrophobicContact CG-CD 4.45Å; F59-K135 HydrophobicContact CG-CG 4.48Å; F59-K135 HydrophobicContact CZ-CD 3.53Å; F59-K135 HydrophobicContact CZ-CG 4.14Å; F59-F137 HydrophobicContact CB-CE2 4.14Å; F59-F137 HydrophobicContact CD2-CE2 4.33Å; F59-F137 HydrophobicContact CD2-CZ 4.47Å; F59-F137 HydrophobicContact CG-CE2 4.34Å
60A98.8Very high88.4Confident0 Ų042.8 Ų42.80%025%0.249CC..EExtended strand (participates in β ladder)trans-123.5118.7177.700000111.8I62 L83 F128 L133 K135 M136 F137A60-I62 HydrophobicContact CB-CD1 3.93Å; A60-L83 WeakPolarHBondContact CA-O 3.45Å; A60-F128 HydrophobicContact CB-CE2 4.48Å; A60-F128 HydrophobicContact CB-CZ 4.48Å; A60-L133 HydrophobicContact CB-CD1 3.79Å; A60-L133 HydrophobicContact CB-CD2 4.12Å; A60-K135 PolarHBondContact N-O 3.01Å; A60-M136 CarbonylContact O-C 3.58Å; A60-M136 WeakPolarHBondContact O-CA 3.43Å; A60-F137 WeakPolarHBondContact O-CD2 3.4Å; A60-F137 PolarHBondContact O-N 3.12Å
61D98.8Very high90.7Very high3 Ų337.8 Ų37.82%0.01621%0.213CC..EExtended strand (participates in β ladder)trans-94.6101.8173-175.58.6000109.6G63 C64 L69 L70 L83 G84 L85D61-G63 PolarHBondContact O-N 3.07Å; D61-C64 HydrophobicContact CB-CB 3.89Å; D61-C64 WeakPolarHBondContact OD2-CA 3.36Å; D61-C64 WeakPolarHBondContact OD2-CB 3.41Å; D61-L69 HydrophobicContact CB-CD2 4.2Å; D61-L70 HydrophobicContact CB-CD2 4.08Å; D61-L70 HydrophobicContact CB-CG 4.44Å; D61-L83 PolarHBondContact N-O 3.34Å; D61-G84 WeakPolarHBondContact O-CA 3.42Å; D61-L85 PolarHBondContact O-N 2.97Å
62I98.3Very high93Very high10 Ų1033.6 Ų33.65%0.05119%0.193CC..EExtended strand (participates in β ladder)trans-87111.6-171-51.1-57.4000110A60 L85 A120 L124 M136 F137 F138 I154A60-I62 HydrophobicContact CB-CD1 3.93Å; I62-L85 HydrophobicContact CD1-CD1 3.75Å; I62-A120 HydrophobicContact CD1-CB 4.34Å; I62-A120 HydrophobicContact CG2-CB 3.54Å; I62-L124 HydrophobicContact CD1-CD1 4Å; I62-M136 HydrophobicContact CD1-CE 4.09Å; I62-M136 HydrophobicContact CG1-CE 4.02Å; I62-F137 WeakPolarHBondContact CB-O 3.46Å; I62-F137 PolarHBondContact N-O 3.11Å; I62-F138 HydrophobicContact CB-CD1 3.81Å; I62-F138 HydrophobicContact CB-CE1 3.65Å; I62-F138 HydrophobicContact CB-CZ 4.27Å; I62-F138 HydrophobicContact CG1-CD1 4.3Å; I62-F138 HydrophobicContact CG1-CE1 3.75Å; I62-F138 HydrophobicContact CG1-CE2 4.48Å; I62-F138 HydrophobicContact CG1-CZ 3.86Å; I62-F138 HydrophobicContact CG2-CD1 4.01Å; I62-F138 HydrophobicContact CG2-CE1 3.64Å; I62-I154 HydrophobicContact CG2-CD1 3.98Å; I62-I154 HydrophobicContact CG2-CG1 3.99Å
63G96.9Very high95Very high42 Ų4228.6 Ų28.643%0.43316%0.162SC..THydrogen-bonded Turntrans74.947.1-171.200000111.4D61 G65 L85D61-G63 PolarHBondContact O-N 3.07Å; G63-G65 PolarHBondContact O-N 2.56Å; G63-L85 WeakPolarHBondContact CA-O 3.48Å; G63-L85 PolarHBondContact N-O 3.01Å
64C97.4Very high96.6Very high8 Ų820.2 Ų20.25%0.05412%0.124CC..  trans-61.3-7.6-168.267.30000116D61 Y66 G67 L85D61-C64 HydrophobicContact CB-CB 3.89Å; D61-C64 WeakPolarHBondContact OD2-CA 3.36Å; D61-C64 WeakPolarHBondContact OD2-CB 3.41Å; C64-Y66 PolarHBondContact O-N 3.18Å; C64-G67 PolarHBondContact O-N 3.43Å; C64-L85 PolarHBondContact N-O 2.91Å
65G96Very high97.5Very high3 Ų322.6 Ų22.63%0.03113%0.133CC..THydrogen-bonded Turntrans56.3-129.9-178.700000110.9G63 G67 E86 V91 V95G63-G65 PolarHBondContact O-N 2.56Å; G65-G67 PolarHBondContact O-N 2.88Å; G65-E86 VanDerWaalsContact CA-OE2 3.27Å; G65-E86 WeakPolarHBondContact CA-OE2 3.2Å; G65-E86 PolarHBondContact N-OE2 2.91Å; G65-V91 VanDerWaalsContact C-CG1 3.43Å; G65-V91 WeakPolarHBondContact O-CG1 3.49Å; G65-V95 WeakPolarHBondContact O-CG2 3.31Å
66Y96.4Very high97.9Very high38 Ų3822.2 Ų22.215%0.14913%0.127CC..THydrogen-bonded Turntrans-80.216.5179-67.5-74.2000114.4K9 C64 G68 V91 Y94 R98 E218K9-Y66 HydrophobicContact CD-CD1 4.25Å; K9-Y66 HydrophobicContact CD-CE1 4.37Å; K9-Y66 HydrophobicContact CD-CG 4.34Å; K9-Y66 HydrophobicContact CG-CD1 4.16Å; K9-Y66 HydrophobicContact CG-CE1 4.12Å; C64-Y66 PolarHBondContact O-N 3.18Å; Y66-G68 VanDerWaalsContact C-N 3.35Å; Y66-G68 PolarHBondContact O-N 3.21Å; Y66-V91 HydrophobicContact CD1-CG1 4.05Å; Y66-V91 HydrophobicContact CE1-CG1 4.1Å; Y66-V91 HydrophobicContact CE1-CG2 4.39Å; Y66-V91 HydrophobicContact CG-CG1 4.37Å; Y66-Y94 AromaticContact CD1-CD1 3.43Å; Y66-Y94 HydrophobicContact CD1-CD1 3.43Å; Y66-Y94 VanDerWaalsContact CD1-CD1 3.43Å; Y66-Y94 AromaticContact CD1-CE1 3.74Å; Y66-Y94 HydrophobicContact CD1-CE1 3.74Å; Y66-Y94 AromaticContact CD1-CG 3.9Å; Y66-Y94 HydrophobicContact CD1-CG 3.9Å; Y66-Y94 HydrophobicContact CE1-CD1 4.21Å; Y66-Y94 HydrophobicContact CE1-CG 4.23Å; Y66-Y94 HydrophobicContact CG-CD1 4.36Å; Y66-Y94 HydrophobicContact CG-CE1 4.38Å; Y66-R98 PolarHBondContact O-NH1 2.94Å; Y66-E218 HydrophobicContact CD2-CG 4.24Å
67G97.7Very high98Very high1 Ų120.3 Ų20.31%0.0112%0.119CC..THydrogen-bonded Turntrans7125.117100000114.3C64 G65 V71C64-G67 PolarHBondContact O-N 3.43Å; G65-G67 PolarHBondContact O-N 2.88Å; G67-V71 WeakPolarHBondContact O-CG2 3.24Å; G67-V71 PolarHBondContact O-N 3.16Å
68G97.9Very high97.9Very high6 Ų624.7 Ų24.76%0.06215%0.147CC..Hα-helixtrans-60.7-45.5-177.600000113.1Y66 V71 E72 C216Y66-G68 VanDerWaalsContact C-N 3.35Å; Y66-G68 PolarHBondContact O-N 3.21Å; G68-V71 PolarHBondContact O-N 3.28Å; G68-E72 PolarHBondContact O-N 2.87Å; G68-E72 VanDerWaalsContact O-N 3.14Å; G68-C216 CarbonylContact C-O 3.36Å; G68-C216 VanDerWaalsContact CA-O 3.32Å; G68-C216 WeakPolarHBondContact CA-O 3.42Å
69L98.5Very high97.8Very high1 Ų128.6 Ų28.61%0.00517%0.169CC..Hα-helixtrans-62.7-47.3178.5-178.771.5000111.9D61 V71 E72 L73 F137 L139 L213 C216 T217D61-L69 HydrophobicContact CB-CD2 4.2Å; L69-V71 VanDerWaalsContact C-N 3.31Å; L69-V71 PolarHBondContact O-N 3.41Å; L69-E72 WeakPolarHBondContact O-CB 3.41Å; L69-E72 PolarHBondContact O-N 2.83Å; L69-E72 VanDerWaalsContact O-N 3.1Å; L69-L73 HydrophobicContact CD1-CD1 3.8Å; L69-L73 HydrophobicContact CD1-CD2 4.29Å; L69-L73 HydrophobicContact CD1-CG 3.83Å; L69-L73 HydrophobicContact CD2-CD1 4.27Å; L69-L73 HydrophobicContact CG-CD1 3.83Å; L69-L73 HydrophobicContact CG-CG 4.06Å; L69-L73 WeakPolarHBondContact O-CG 3.49Å; L69-L73 PolarHBondContact O-N 2.8Å; L69-F137 HydrophobicContact CD2-CB 3.61Å; L69-F137 HydrophobicContact CD2-CD1 3.75Å; L69-F137 HydrophobicContact CD2-CD2 3.75Å; L69-F137 HydrophobicContact CD2-CE1 4.4Å; L69-F137 HydrophobicContact CD2-CE2 4.38Å; L69-F137 HydrophobicContact CD2-CG 3.4Å; L69-F137 VanDerWaalsContact CD2-CG 3.4Å; L69-L139 HydrophobicContact CB-CD1 4.16Å; L69-L139 HydrophobicContact CD1-CD1 3.99Å; L69-L139 HydrophobicContact CD2-CD1 3.75Å; L69-L139 HydrophobicContact CD2-CG 4.41Å; L69-L139 HydrophobicContact CG-CD1 4.18Å; L69-L213 HydrophobicContact CD1-CD2 3.96Å; L69-C216 WeakPolarHBondContact CD1-SG 3.23Å; L69-T217 HydrophobicContact CB-CG2 4.39Å
70L98.6Very high97.8Very high4 Ų430.9 Ų30.92%0.02118%0.179CC..Hα-helixtrans-54.4-48.1178.7-63.4172.2000111.9D61 E72 L73 S74 M82 V95 I99 I113D61-L70 HydrophobicContact CB-CD2 4.08Å; D61-L70 HydrophobicContact CB-CG 4.44Å; L70-E72 VanDerWaalsContact C-N 3.29Å; L70-E72 PolarHBondContact O-N 3.2Å; L70-L73 PolarHBondContact O-N 3.13Å; L70-S74 WeakPolarHBondContact O-CB 3.42Å; L70-S74 PolarHBondContact O-N 3.23Å; L70-M82 HydrophobicContact CD2-CB 3.89Å; L70-V95 HydrophobicContact CD1-CG1 4.48Å; L70-I99 HydrophobicContact CD1-CD1 4.49Å; L70-I113 HydrophobicContact CB-CB 4.3Å; L70-I113 HydrophobicContact CB-CD1 4.18Å; L70-I113 HydrophobicContact CB-CG2 4.29Å
71V98.4Very high97.8Very high19 Ų1931 Ų3112%0.11518%0.18CC..Hα-helixtrans-63.7-37.8179.8174.50000111.3G67 G68 L69 P75 L102 Y110 I113G67-V71 WeakPolarHBondContact O-CG2 3.24Å; G67-V71 PolarHBondContact O-N 3.16Å; G68-V71 PolarHBondContact O-N 3.28Å; L69-V71 VanDerWaalsContact C-N 3.31Å; L69-V71 PolarHBondContact O-N 3.41Å; V71-P75 WeakPolarHBondContact O-CD 3.48Å; V71-L102 HydrophobicContact CB-CD1 4.4Å; V71-L102 HydrophobicContact CG1-CD1 3.95Å; V71-L102 HydrophobicContact CG2-CD1 3.53Å; V71-Y110 HydrophobicContact CG1-CE1 3.99Å; V71-I113 HydrophobicContact CG2-CD1 4.15Å
72E98.3Very high97.8Very high62 Ų6231 Ų3129%0.2918%0.179SC..Hα-helixtrans-69.4-42.1178.4-169.567.9-164.200112.6G68 L69 L70 P75 R212 C216G68-E72 PolarHBondContact O-N 2.87Å; G68-E72 VanDerWaalsContact O-N 3.14Å; L69-E72 WeakPolarHBondContact O-CB 3.41Å; L69-E72 PolarHBondContact O-N 2.83Å; L69-E72 VanDerWaalsContact O-N 3.1Å; L70-E72 VanDerWaalsContact C-N 3.29Å; L70-E72 PolarHBondContact O-N 3.2Å; E72-P75 WeakPolarHBondContact O-CD 3.43Å; E72-R212 HydrophobicContact CG-CB 4.14Å; E72-R212 HydrophobicContact CG-CG 4.2Å; E72-R212 IonicContact OE1-CZ 3.59Å; E72-R212 IonicContact OE1-NE 3.9Å; E72-R212 IonicContact OE1-NH1 2.63Å; E72-R212 PolarHBondContact OE1-NH1 3.39Å; E72-C216 HydrophobicContact CB-CB 3.78Å; E72-C216 HydrophobicContact CG-CB 3.81Å
73L98.4Very high97.8Very high2 Ų230.5 Ų30.51%0.0118%0.177CC..Hα-helixtrans-81.1-27.4-175.7-64.9-169.4000113.3L69 L70 L76 F77 M82 F137 I209L69-L73 HydrophobicContact CD1-CD1 3.8Å; L69-L73 HydrophobicContact CD1-CD2 4.29Å; L69-L73 HydrophobicContact CD1-CG 3.83Å; L69-L73 HydrophobicContact CD2-CD1 4.27Å; L69-L73 HydrophobicContact CG-CD1 3.83Å; L69-L73 HydrophobicContact CG-CG 4.06Å; L69-L73 WeakPolarHBondContact O-CG 3.49Å; L69-L73 PolarHBondContact O-N 2.8Å; L70-L73 PolarHBondContact O-N 3.13Å; L73-L76 HydrophobicContact CD2-CD1 4.18Å; L73-L76 WeakPolarHBondContact O-CB 3.18Å; L73-L76 PolarHBondContact O-N 3.14Å; L73-F77 HydrophobicContact CB-CD2 4.45Å; L73-F77 HydrophobicContact CD2-CE2 4.32Å; L73-F77 PolarHBondContact O-N 3.08Å; L73-F77 VanDerWaalsContact O-N 3.08Å; L73-M82 HydrophobicContact CB-CE 3.84Å; L73-M82 HydrophobicContact CB-SD 3.61Å; L73-M82 HydrophobicContact CD1-SD 4.47Å; L73-M82 WeakPolarHBondContact O-CE 3.48Å; L73-F137 HydrophobicContact CD1-CE1 4.31Å; L73-F137 HydrophobicContact CD1-CE2 4.16Å; L73-F137 HydrophobicContact CD1-CZ 3.81Å; L73-I209 HydrophobicContact CD2-CG1 4.08Å; L73-I209 HydrophobicContact CD2-CG2 4.29Å
74S98.5Very high97.9Very high3 Ų328.5 Ų28.52%0.02116%0.156CC..THydrogen-bonded Turntrans-46-53.3-179.1173.50000114.3L70 L76 F77 Y110 N112L70-S74 WeakPolarHBondContact O-CB 3.42Å; L70-S74 PolarHBondContact O-N 3.23Å; S74-L76 VanDerWaalsContact C-N 3.32Å; S74-L76 PolarHBondContact O-N 3.49Å; S74-F77 CarbonylContact O-C 3.54Å; S74-Y110 WeakPolarHBondContact OG-CA 3.41Å; S74-Y110 WeakPolarHBondContact OG-CD1 3.36Å; S74-N112 PolarHBondContact O-ND2 3.15Å; S74-N112 VanDerWaalsContact O-ND2 3.09Å; S74-N112 PolarHBondContact OG-OD1 3.03Å
75P98.1Very high97.9Very high81 Ų8128.2 Ų28.253%0.52615%0.154SC..THydrogen-bonded Turntrans-73.9-19.317929.4-36.9000114.1V71 E72V71-P75 WeakPolarHBondContact O-CD 3.48Å; E72-P75 WeakPolarHBondContact O-CD 3.43Å
76L97.7Very high98Very high67 Ų6728.3 Ų28.335%0.35115%0.154SC..THydrogen-bonded Turntrans-80.2-27179.6-60.5178.8000112.3L73 S74 V208L73-L76 HydrophobicContact CD2-CD1 4.18Å; L73-L76 WeakPolarHBondContact O-CB 3.18Å; L73-L76 PolarHBondContact O-N 3.14Å; S74-L76 VanDerWaalsContact C-N 3.32Å; S74-L76 PolarHBondContact O-N 3.49Å; L76-V208 HydrophobicContact CD1-CG2 4.41Å
77F97.9Very high97.9Very high43 Ų4327.9 Ų27.919%0.18915%0.154CC..  trans-133.566.1-180-56.8-88.7000110.4F59 L73 S74 D79 K80 M82 N112 V208 I209F59-F77 HydrophobicContact CE2-CB 4.19Å; F59-F77 HydrophobicContact CE2-CD1 4.14Å; F59-F77 AromaticContact CE2-CD2 3.85Å; F59-F77 HydrophobicContact CE2-CD2 3.85Å; F59-F77 HydrophobicContact CE2-CE2 4.25Å; F59-F77 AromaticContact CE2-CG 3.8Å; F59-F77 HydrophobicContact CE2-CG 3.8Å; F59-F77 HydrophobicContact CZ-CD1 4.04Å; F59-F77 HydrophobicContact CZ-CE1 4.34Å; F59-F77 HydrophobicContact CZ-CG 4.15Å; L73-F77 HydrophobicContact CB-CD2 4.45Å; L73-F77 HydrophobicContact CD2-CE2 4.32Å; L73-F77 PolarHBondContact O-N 3.08Å; L73-F77 VanDerWaalsContact O-N 3.08Å; S74-F77 CarbonylContact O-C 3.54Å; F77-D79 PolarHBondContact O-N 3.12Å; F77-D79 VanDerWaalsContact O-N 3.14Å; F77-K80 HydrophobicContact CB-CB 3.89Å; F77-K80 HydrophobicContact CB-CG 3.86Å; F77-K80 HydrophobicContact CD1-CG 4.45Å; F77-K80 PolarHBondContact O-N 2.94Å; F77-M82 HydrophobicContact CB-CE 3.58Å; F77-M82 HydrophobicContact CD2-CE 4.17Å; F77-M82 HydrophobicContact CG-CE 4.27Å; F77-N112 PolarHBondContact O-ND2 3.49Å; F77-V208 HydrophobicContact CE2-CG2 4.17Å; F77-V208 HydrophobicContact CZ-CG2 3.91Å; F77-I209 HydrophobicContact CE2-CD1 3.97Å; F77-I209 HydrophobicContact CE2-CG1 3.82Å; F77-I209 HydrophobicContact CZ-CD1 3.89Å; F77-I209 HydrophobicContact CZ-CG1 3.92Å
78P97.1Very high97.8Very high92 Ų9229.2 Ų29.260%0.59716%0.158SC*.THydrogen-bonded Turntrans-62.9-22.7-172.726.7-35.6000113.5
79D95.8Very high97.5Very high112 Ų11231.2 Ų31.260%0.59917%0.169SC*.THydrogen-bonded Turntrans-86.4-7.8177.768.6-48.1000113.6F77F77-D79 PolarHBondContact O-N 3.12Å; F77-D79 VanDerWaalsContact O-N 3.14Å
80K97.8Very high97.4Very high51 Ų5135.9 Ų35.922%0.22219%0.19CC..SBendtrans-105121.5-176.6-57.9-52.8-179.1-165.80111.9E58 F59 F77 M82 N112E58-K80 WeakPolarHBondContact OE1-CD 3.32Å; E58-K80 IonicContact OE1-NZ 2.84Å; E58-K80 PolarHBondContact OE1-NZ 2.87Å; F59-K80 HydrophobicContact CE1-CB 4.4Å; F59-K80 HydrophobicContact CE1-CG 4.25Å; F59-K80 HydrophobicContact CE2-CB 4.33Å; F59-K80 HydrophobicContact CZ-CB 4.19Å; F59-K80 HydrophobicContact CZ-CG 3.97Å; F77-K80 HydrophobicContact CB-CB 3.89Å; F77-K80 HydrophobicContact CB-CG 3.86Å; F77-K80 HydrophobicContact CD1-CG 4.45Å; F77-K80 PolarHBondContact O-N 2.94Å; K80-M82 HydrophobicContact CB-CE 4.34Å; K80-N112 WeakPolarHBondContact O-CB 3.35Å; K80-N112 PolarHBondContact O-ND2 3.41Å; K80-N112 VanDerWaalsContact O-ND2 3.11Å
81L98.5Very high97.2Very high4 Ų435.7 Ų35.72%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-73.8131.7170.2-62.7-171.2000110.6Y41 L44 I45 P55 V57 E58 F59 N112Y41-L81 HydrophobicContact CD1-CD2 3.77Å; Y41-L81 HydrophobicContact CD2-CD1 4.15Å; Y41-L81 HydrophobicContact CE1-CB 4.43Å; Y41-L81 HydrophobicContact CE1-CD2 4.13Å; Y41-L81 HydrophobicContact CE2-CD1 4.45Å; Y41-L81 HydrophobicContact CG-CD1 4.22Å; Y41-L81 HydrophobicContact CG-CD2 4.08Å; L44-L81 HydrophobicContact CB-CD2 4.4Å; L44-L81 HydrophobicContact CD1-CD2 3.4Å; I45-L81 HydrophobicContact CD1-CD1 3.81Å; I45-L81 HydrophobicContact CG1-CD1 4.42Å; P55-L81 HydrophobicContact CB-CD1 3.87Å; P55-L81 HydrophobicContact CB-CG 4.31Å; V57-L81 HydrophobicContact CG2-CB 4.28Å; E58-L81 PolarHBondContact N-O 2.76Å; F59-L81 PolarHBondContact N-O 3.08Å; L81-N112 CarbonylContact C-O 3.48Å; L81-N112 WeakPolarHBondContact CA-O 3.49Å; L81-N112 HydrophobicContact CD2-CB 4.15Å
82M98.8Very high97.1Very high2 Ų234.8 Ų34.81%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-128.4138.3-178.1-34.7-178.4-178.700111.3Y41 F59 L70 L73 F77 K80 N112 I113 A114Y41-M82 PolarHBondContact OH-O 3.1Å; F59-M82 HydrophobicContact CB-CB 3.91Å; F59-M82 HydrophobicContact CB-CG 3.84Å; F59-M82 HydrophobicContact CD2-CE 3.71Å; F59-M82 HydrophobicContact CD2-CG 3.97Å; F59-M82 HydrophobicContact CD2-SD 3.85Å; F59-M82 HydrophobicContact CE2-CE 3.91Å; F59-M82 HydrophobicContact CG-CG 4.25Å; F59-M82 CarbonylContact O-C 3.59Å; F59-M82 VanDerWaalsContact O-CA 3.3Å; F59-M82 WeakPolarHBondContact O-CA 3.45Å; L70-M82 HydrophobicContact CD2-CB 3.89Å; L73-M82 HydrophobicContact CB-CE 3.84Å; L73-M82 HydrophobicContact CB-SD 3.61Å; L73-M82 HydrophobicContact CD1-SD 4.47Å; L73-M82 WeakPolarHBondContact O-CE 3.48Å; F77-M82 HydrophobicContact CB-CE 3.58Å; F77-M82 HydrophobicContact CD2-CE 4.17Å; F77-M82 HydrophobicContact CG-CE 4.27Å; K80-M82 HydrophobicContact CB-CE 4.34Å; M82-N112 PolarHBondContact N-O 3.4Å; M82-I113 HydrophobicContact CB-CG2 4.08Å; M82-I113 HydrophobicContact CG-CG2 4.13Å; M82-I113 WeakPolarHBondContact O-CA 3.35Å; M82-I113 HydrophobicContact SD-CG2 4.03Å; M82-A114 PolarHBondContact O-N 3.14Å
83L98.8Very high97Very high0 Ų034.1 Ų34.10%018%0.182CC..EExtended strand (participates in β ladder)trans-123.1125.4179.6-172.371000111.1W37 L40 V57 F59 A60 D61 L85 A114 L116 F128W37-L83 HydrophobicContact CH2-CD2 3.69Å; W37-L83 HydrophobicContact CZ3-CD1 4.18Å; W37-L83 HydrophobicContact CZ3-CD2 3.69Å; W37-L83 HydrophobicContact CZ3-CG 4.46Å; L40-L83 HydrophobicContact CD1-CD1 3.74Å; V57-L83 HydrophobicContact CG1-CB 3.72Å; V57-L83 HydrophobicContact CG2-CB 4.48Å; F59-L83 PolarHBondContact O-N 3.42Å; A60-L83 WeakPolarHBondContact CA-O 3.45Å; D61-L83 PolarHBondContact N-O 3.34Å; L83-L85 HydrophobicContact CD2-CD2 3.89Å; L83-L85 HydrophobicContact CD2-CG 4.22Å; L83-L85 HydrophobicContact CG-CD2 4.48Å; L83-A114 HydrophobicContact CD1-CB 4.11Å; L83-L116 HydrophobicContact CD1-CB 3.97Å; L83-L116 HydrophobicContact CD2-CB 4.44Å; L83-L116 HydrophobicContact CG-CB 4.48Å; L83-F128 HydrophobicContact CD2-CE1 4.36Å; L83-F128 HydrophobicContact CD2-CZ 3.8Å
84G98.7Very high97Very high0 Ų034.8 Ų34.80%018%0.184CC..EExtended strand (participates in β ladder)trans-86.7128.616300000111.5D61 A114 C115 L116D61-G84 WeakPolarHBondContact O-CA 3.42Å; G84-A114 PolarHBondContact N-O 2.71Å; G84-C115 CarbonylContact O-C 3.53Å; G84-C115 WeakPolarHBondContact O-CA 3.34Å; G84-L116 PolarHBondContact O-N 3.43Å
85L98.3Very high97Very high2 Ų234.7 Ų34.71%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-104.5119.5171.7-67.7166.4000108.9D61 I62 G63 C64 L83 L116 A120 L124 F128D61-L85 PolarHBondContact O-N 2.97Å; I62-L85 HydrophobicContact CD1-CD1 3.75Å; G63-L85 WeakPolarHBondContact CA-O 3.48Å; G63-L85 PolarHBondContact N-O 3.01Å; C64-L85 PolarHBondContact N-O 2.91Å; L83-L85 HydrophobicContact CD2-CD2 3.89Å; L83-L85 HydrophobicContact CD2-CG 4.22Å; L83-L85 HydrophobicContact CG-CD2 4.48Å; L85-L116 HydrophobicContact CD2-CB 4.31Å; L85-L116 HydrophobicContact CD2-CD2 3.93Å; L85-A120 HydrophobicContact CD1-CB 4.2Å; L85-L124 HydrophobicContact CD1-CD1 3.6Å; L85-F128 HydrophobicContact CD1-CE2 4.28Å
86E97.1Very high97Very high5 Ų534.2 Ų34.22%0.02317%0.174CC..EExtended strand (participates in β ladder)trans-132.1133.5179.5170.859.4-111.400111G65 R88 V91 L116 R117 S118G65-E86 VanDerWaalsContact CA-OE2 3.27Å; G65-E86 WeakPolarHBondContact CA-OE2 3.2Å; G65-E86 PolarHBondContact N-OE2 2.91Å; E86-R88 HydrophobicContact CG-CB 4.39Å; E86-R88 VanDerWaalsContact OE1-CB 3.24Å; E86-R88 WeakPolarHBondContact OE1-CB 3.47Å; E86-R88 WeakPolarHBondContact OE1-CG 3.22Å; E86-R88 IonicContact OE1-CZ 2.87Å; E86-R88 PolarHBondContact OE1-N 3.5Å; E86-R88 IonicContact OE1-NE 3.22Å; E86-R88 PolarHBondContact OE1-NE 2.9Å; E86-R88 IonicContact OE1-NH2 2.78Å; E86-R88 IonicContact OE2-CZ 2.91Å; E86-R88 IonicContact OE2-NE 2.63Å; E86-R88 PolarHBondContact OE2-NE 3.25Å; E86-R88 IonicContact OE2-NH2 2.79Å; E86-R88 PolarHBondContact OE2-NH2 3.44Å; E86-V91 HydrophobicContact CG-CB 3.92Å; E86-V91 HydrophobicContact CG-CG1 3.95Å; E86-L116 PolarHBondContact N-O 3.12Å; E86-L116 VanDerWaalsContact N-O 3.14Å; E86-R117 CarbonylContact O-C 3.53Å; E86-R117 WeakPolarHBondContact O-CA 3.48Å; E86-S118 CarbonylContact C-O 3.58Å; E86-S118 PolarHBondContact O-N 2.78Å
87I95.7Very high97Very high29 Ų2933 Ų3315%0.14917%0.168CC..SBendtrans-83.6-29.1-174.9-163.7175.6000112.3A18 P20 F26 V89 S118 N119A18-I87 HydrophobicContact CB-CD1 4.42Å; A18-I87 HydrophobicContact CB-CG2 3.62Å; P20-I87 HydrophobicContact CB-CD1 4.29Å; F26-I87 HydrophobicContact CE1-CG1 4.11Å; F26-I87 HydrophobicContact CZ-CD1 4.27Å; F26-I87 HydrophobicContact CZ-CG1 3.66Å; I87-V89 PolarHBondContact O-N 3.32Å; I87-S118 WeakPolarHBondContact CA-O 3.13Å; I87-S118 PolarHBondContact N-O 2.84Å; I87-N119 HydrophobicContact CD1-CB 4.16Å; I87-N119 HydrophobicContact CG1-CB 4.4Å
88R93.9Very high97Very high28 Ų2832.7 Ų32.711%0.10617%0.165CC..  trans-83.3112.9-175.5-65.7171.2-64.8175.17.8110.9R15 A16 A18 E86 K90 V91 S92R15-R88 WeakPolarHBondContact O-CD 3.17Å; A16-R88 PolarHBondContact O-NH1 3.27Å; A18-R88 HydrophobicContact CB-CG 4.08Å; E86-R88 HydrophobicContact CG-CB 4.39Å; E86-R88 VanDerWaalsContact OE1-CB 3.24Å; E86-R88 WeakPolarHBondContact OE1-CB 3.47Å; E86-R88 WeakPolarHBondContact OE1-CG 3.22Å; E86-R88 IonicContact OE1-CZ 2.87Å; E86-R88 PolarHBondContact OE1-N 3.5Å; E86-R88 IonicContact OE1-NE 3.22Å; E86-R88 PolarHBondContact OE1-NE 2.9Å; E86-R88 IonicContact OE1-NH2 2.78Å; E86-R88 IonicContact OE2-CZ 2.91Å; E86-R88 IonicContact OE2-NE 2.63Å; E86-R88 PolarHBondContact OE2-NE 3.25Å; E86-R88 IonicContact OE2-NH2 2.79Å; E86-R88 PolarHBondContact OE2-NH2 3.44Å; R88-K90 PolarHBondContact O-N 3.45Å; R88-V91 HydrophobicContact CB-CB 3.97Å; R88-V91 HydrophobicContact CB-CG2 3.82Å; R88-V91 PolarHBondContact O-N 3.36Å; R88-S92 PolarHBondContact O-N 2.8Å; R88-S92 PolarHBondContact O-OG 2.89Å
89V93.3Very high97.1Very high48 Ų4828.6 Ų28.629%0.29114%0.138SC..Hα-helixtrans-49.7-50.2-177.566.30000113.8I87 V91 S92 D93I87-V89 PolarHBondContact O-N 3.32Å; V89-V91 PolarHBondContact O-N 2.96Å; V89-S92 WeakPolarHBondContact CA-OG 3.31Å; V89-S92 PolarHBondContact O-N 3.48Å; V89-S92 PolarHBondContact O-OG 3.4Å; V89-D93 WeakPolarHBondContact O-CB 3.49Å; V89-D93 PolarHBondContact O-N 2.78Å; V89-D93 VanDerWaalsContact O-OD1 3.12Å
90K94.9Very high97.2Very high99 Ų9929.8 Ų29.843%0.4314%0.135SC..Hα-helixtrans-67.9-29.7-177.5-69-61.3-173.1-176.10112.1Y12 Q14 R88 Y94Y12-K90 WeakPolarHBondContact CB-O 3.32Å; Y12-K90 WeakPolarHBondContact CD1-O 3.43Å; Y12-K90 WeakPolarHBondContact O-CB 2.86Å; Q14-K90 HydrophobicContact CB-CB 4.16Å; R88-K90 PolarHBondContact O-N 3.45Å; K90-Y94 PolarHBondContact O-N 3.21Å; K90-Y94 VanDerWaalsContact O-N 3.16Å
91V95.7Very high97.2Very high0 Ų027.9 Ų27.90%013%0.128CC..Hα-helixtrans-76.4-44.2178.8-175.40000110.1G65 Y66 E86 R88 V89 D93 Y94 V95G65-V91 VanDerWaalsContact C-CG1 3.43Å; G65-V91 WeakPolarHBondContact O-CG1 3.49Å; Y66-V91 HydrophobicContact CD1-CG1 4.05Å; Y66-V91 HydrophobicContact CE1-CG1 4.1Å; Y66-V91 HydrophobicContact CE1-CG2 4.39Å; Y66-V91 HydrophobicContact CG-CG1 4.37Å; E86-V91 HydrophobicContact CG-CB 3.92Å; E86-V91 HydrophobicContact CG-CG1 3.95Å; R88-V91 HydrophobicContact CB-CB 3.97Å; R88-V91 HydrophobicContact CB-CG2 3.82Å; R88-V91 PolarHBondContact O-N 3.36Å; V89-V91 PolarHBondContact O-N 2.96Å; V91-D93 PolarHBondContact O-N 2.97Å; V91-Y94 WeakPolarHBondContact O-CB 3.4Å; V91-Y94 PolarHBondContact O-N 3.38Å; V91-V95 WeakPolarHBondContact O-CG2 3.36Å; V91-V95 PolarHBondContact O-N 2.84Å; V91-V95 VanDerWaalsContact O-N 3.1Å
92S96.6Very high97.1Very high0 Ų028.5 Ų28.50%013%0.131CC..Hα-helixtrans-61-43.1173.155.50000112.3R88 V89 Y94 V95 Q96 R117R88-S92 PolarHBondContact O-N 2.8Å; R88-S92 PolarHBondContact O-OG 2.89Å; V89-S92 WeakPolarHBondContact CA-OG 3.31Å; V89-S92 PolarHBondContact O-N 3.48Å; V89-S92 PolarHBondContact O-OG 3.4Å; S92-Y94 VanDerWaalsContact C-N 3.29Å; S92-Y94 PolarHBondContact O-N 3.48Å; S92-V95 PolarHBondContact O-N 3.37Å; S92-V95 VanDerWaalsContact O-N 3.1Å; S92-Q96 WeakPolarHBondContact O-CG 3.31Å; S92-Q96 PolarHBondContact O-N 2.89Å; S92-R117 WeakPolarHBondContact OG-CB 3.45Å
93D96.6Very high97.1Very high48 Ų4830.5 Ų30.526%0.25714%0.139SC..Hα-helixtrans-57.1-44.9176.4-63.8-12000110.6Y12 V89 V91 V95 Q96 D97Y12-D93 HydrophobicContact CD1-CB 4.09Å; Y12-D93 HydrophobicContact CE1-CB 4.02Å; V89-D93 WeakPolarHBondContact O-CB 3.49Å; V89-D93 PolarHBondContact O-N 2.78Å; V89-D93 VanDerWaalsContact O-OD1 3.12Å; V91-D93 PolarHBondContact O-N 2.97Å; D93-V95 VanDerWaalsContact C-N 3.34Å; D93-V95 PolarHBondContact O-N 2.77Å; D93-Q96 PolarHBondContact O-N 2.89Å; D93-D97 PolarHBondContact O-N 3.39Å
94Y97.4Very high97Very high16 Ų1635.4 Ų35.46%0.06316%0.162CC..Hα-helixtrans-58.2-45.8176.1174.9-88.3000112.1P7 K9 Y12 Y66 K90 V91 S92 D97 R98P7-Y94 HydrophobicContact CB-CD2 3.87Å; P7-Y94 HydrophobicContact CB-CE2 3.82Å; P7-Y94 HydrophobicContact CG-CD2 4.02Å; P7-Y94 HydrophobicContact CG-CE2 3.76Å; P7-Y94 VanDerWaalsContact O-CE2 3.22Å; P7-Y94 WeakPolarHBondContact O-CE2 3.47Å; P7-Y94 PolarHBondContact O-OH 2.93Å; K9-Y94 HydrophobicContact CB-CE2 4.21Å; K9-Y94 HydrophobicContact CG-CD2 4.15Å; K9-Y94 HydrophobicContact CG-CE1 4.13Å; K9-Y94 HydrophobicContact CG-CE2 3.44Å; K9-Y94 VanDerWaalsContact CG-CE2 3.44Å; K9-Y94 VanDerWaalsContact CG-CZ 3.44Å; Y12-Y94 AromaticContact CD2-CD2 3.69Å; Y12-Y94 HydrophobicContact CD2-CD2 3.69Å; Y12-Y94 HydrophobicContact CD2-CG 4.5Å; Y12-Y94 HydrophobicContact CE2-CD2 4.11Å; Y12-Y94 AromaticContact CG-CD2 3.94Å; Y12-Y94 HydrophobicContact CG-CD2 3.94Å; Y12-Y94 HydrophobicContact CG-CG 4.33Å; Y66-Y94 AromaticContact CD1-CD1 3.43Å; Y66-Y94 HydrophobicContact CD1-CD1 3.43Å; Y66-Y94 VanDerWaalsContact CD1-CD1 3.43Å; Y66-Y94 AromaticContact CD1-CE1 3.74Å; Y66-Y94 HydrophobicContact CD1-CE1 3.74Å; Y66-Y94 AromaticContact CD1-CG 3.9Å; Y66-Y94 HydrophobicContact CD1-CG 3.9Å; Y66-Y94 HydrophobicContact CE1-CD1 4.21Å; Y66-Y94 HydrophobicContact CE1-CG 4.23Å; Y66-Y94 HydrophobicContact CG-CD1 4.36Å; Y66-Y94 HydrophobicContact CG-CE1 4.38Å; K90-Y94 PolarHBondContact O-N 3.21Å; K90-Y94 VanDerWaalsContact O-N 3.16Å; V91-Y94 WeakPolarHBondContact O-CB 3.4Å; V91-Y94 PolarHBondContact O-N 3.38Å; S92-Y94 VanDerWaalsContact C-N 3.29Å; S92-Y94 PolarHBondContact O-N 3.48Å; Y94-D97 PolarHBondContact O-N 3.49Å; Y94-R98 HydrophobicContact CE1-CB 4.31Å; Y94-R98 WeakPolarHBondContact O-CB 3.45Å; Y94-R98 PolarHBondContact O-N 3.24Å
95V98Very high96.9Very high1 Ų139.1 Ų39.11%0.00618%0.18CC..Hα-helixtrans-67.9-39.3-177.8-178.20000110.8G65 L70 V91 S92 D93 R98 I99 C115G65-V95 WeakPolarHBondContact O-CG2 3.31Å; L70-V95 HydrophobicContact CD1-CG1 4.48Å; V91-V95 WeakPolarHBondContact O-CG2 3.36Å; V91-V95 PolarHBondContact O-N 2.84Å; V91-V95 VanDerWaalsContact O-N 3.1Å; S92-V95 PolarHBondContact O-N 3.37Å; S92-V95 VanDerWaalsContact O-N 3.1Å; D93-V95 VanDerWaalsContact C-N 3.34Å; D93-V95 PolarHBondContact O-N 2.77Å; V95-R98 WeakPolarHBondContact O-CB 3.49Å; V95-R98 PolarHBondContact O-N 3.27Å; V95-I99 HydrophobicContact CG1-CD1 3.8Å; V95-I99 HydrophobicContact CG1-CG1 4.27Å; V95-I99 WeakPolarHBondContact O-CB 3.45Å; V95-I99 VanDerWaalsContact O-CG1 3.31Å; V95-I99 WeakPolarHBondContact O-CG1 3.3Å; V95-I99 PolarHBondContact O-N 2.8Å; V95-C115 HydrophobicContact CB-CB 3.87Å; V95-C115 HydrophobicContact CG1-CB 3.45Å; V95-C115 VanDerWaalsContact CG1-CB 3.45Å
96Q98.2Very high96.8Very high71 Ų7142 Ų4233%0.33220%0.195SC..Hα-helixtrans-61-48.5175.4-70.7173.1-5.200111.5S92 D93 R98 I99 R100 C115S92-Q96 WeakPolarHBondContact O-CG 3.31Å; S92-Q96 PolarHBondContact O-N 2.89Å; D93-Q96 PolarHBondContact O-N 2.89Å; Q96-R98 VanDerWaalsContact C-N 3.29Å; Q96-R98 PolarHBondContact O-N 3.21Å; Q96-I99 PolarHBondContact O-N 2.99Å; Q96-R100 WeakPolarHBondContact O-CB 3.42Å; Q96-R100 PolarHBondContact O-N 2.65Å; Q96-C115 HydrophobicContact CG-CB 4.29Å; Q96-C115 PolarHBondContact NE2-O 2.91Å
97D98Very high96.6Very high41 Ų4147.2 Ų47.222%0.21923%0.23CC..Hα-helixtrans-64.9-34.1176.2-73.7-26.1000112.1P7 Y12 D93 Y94 R100 S101P7-D97 HydrophobicContact CB-CB 4.15Å; P7-D97 HydrophobicContact CG-CB 4.12Å; Y12-D97 PolarHBondContact OH-OD2 2.93Å; D93-D97 PolarHBondContact O-N 3.39Å; Y94-D97 PolarHBondContact O-N 3.49Å; D97-R100 IonicContact OD1-CZ 3.27Å; D97-R100 IonicContact OD1-NH1 3.53Å; D97-R100 PolarHBondContact OD1-NH1 3.04Å; D97-R100 VanDerWaalsContact OD1-NH1 3.17Å; D97-R100 IonicContact OD1-NH2 2.76Å; D97-S101 WeakPolarHBondContact O-CB 3.41Å; D97-S101 PolarHBondContact O-N 3.01Å; D97-S101 PolarHBondContact O-OG 2.92Å
98R97.9Very high96.5Very high37 Ų3749.2 Ų49.214%0.1426%0.257CS..Hα-helixtrans-65.8-48.1177-176.9-178.2178.5-167.7-3.6110.8M6 P7 Y66 Y94 V95 Q96 S101 L102M6-R98 HydrophobicContact CE-CG 3.63Å; P7-R98 HydrophobicContact CG-CB 3.76Å; Y66-R98 PolarHBondContact O-NH1 2.94Å; Y94-R98 HydrophobicContact CE1-CB 4.31Å; Y94-R98 WeakPolarHBondContact O-CB 3.45Å; Y94-R98 PolarHBondContact O-N 3.24Å; V95-R98 WeakPolarHBondContact O-CB 3.49Å; V95-R98 PolarHBondContact O-N 3.27Å; Q96-R98 VanDerWaalsContact C-N 3.29Å; Q96-R98 PolarHBondContact O-N 3.21Å; R98-S101 PolarHBondContact O-N 3.07Å; R98-L102 HydrophobicContact CG-CD1 4.18Å; R98-L102 WeakPolarHBondContact O-CB 3.49Å; R98-L102 VanDerWaalsContact O-CG 3.3Å; R98-L102 WeakPolarHBondContact O-CG 3.33Å; R98-L102 PolarHBondContact O-N 3.18Å
99I98.4Very high96.7Very high6 Ų650.6 Ų50.63%0.03127%0.271CS..Hα-helixtrans-64-43.4178.6-69.9171.8000110.1L70 V95 Q96 S101 L102 R103 I113 C115L70-I99 HydrophobicContact CD1-CD1 4.49Å; V95-I99 HydrophobicContact CG1-CD1 3.8Å; V95-I99 HydrophobicContact CG1-CG1 4.27Å; V95-I99 WeakPolarHBondContact O-CB 3.45Å; V95-I99 VanDerWaalsContact O-CG1 3.31Å; V95-I99 WeakPolarHBondContact O-CG1 3.3Å; V95-I99 PolarHBondContact O-N 2.8Å; Q96-I99 PolarHBondContact O-N 2.99Å; I99-S101 VanDerWaalsContact C-N 3.35Å; I99-S101 PolarHBondContact O-N 2.87Å; I99-L102 PolarHBondContact O-N 2.9Å; I99-R103 HydrophobicContact CG2-CG 4.44Å; I99-R103 WeakPolarHBondContact O-CG 3.45Å; I99-R103 PolarHBondContact O-N 2.9Å; I99-I113 HydrophobicContact CD1-CD1 4.21Å; I99-I113 HydrophobicContact CD1-CG1 4.2Å; I99-I113 HydrophobicContact CG1-CD1 3.97Å; I99-I113 HydrophobicContact CG1-CG1 4.26Å; I99-I113 HydrophobicContact CG2-CG1 4.21Å; I99-I113 WeakPolarHBondContact CG2-O 3.1Å; I99-C115 HydrophobicContact CD1-CB 4.35Å
100R97.8Very high96.9Very high137 Ų13750.5 Ų50.552%0.51727%0.266SS..Hα-helixtrans-56.8-49.4174.9-171.8-171.4-59.1140.27.7111.3Q96 D97 L102 R103 E104Q96-R100 WeakPolarHBondContact O-CB 3.42Å; Q96-R100 PolarHBondContact O-N 2.65Å; D97-R100 IonicContact OD1-CZ 3.27Å; D97-R100 IonicContact OD1-NH1 3.53Å; D97-R100 PolarHBondContact OD1-NH1 3.04Å; D97-R100 VanDerWaalsContact OD1-NH1 3.17Å; D97-R100 IonicContact OD1-NH2 2.76Å; R100-L102 VanDerWaalsContact C-N 3.31Å; R100-L102 PolarHBondContact O-N 3.38Å; R100-R103 PolarHBondContact O-N 3.11Å; R100-E104 WeakPolarHBondContact CG-OE1 3.4Å; R100-E104 WeakPolarHBondContact O-CG 3.29Å; R100-E104 PolarHBondContact O-N 3.04Å
101S97.8Very high97.1Very high12 Ų1246.9 Ų46.98%0.08425%0.25CS..Hα-helixtrans-60.7-40.4178.2-57.60000112.1S5 D97 R98 I99 E104 M105S5-S101 PolarHBondContact O-OG 2.57Å; D97-S101 WeakPolarHBondContact O-CB 3.41Å; D97-S101 PolarHBondContact O-N 3.01Å; D97-S101 PolarHBondContact O-OG 2.92Å; R98-S101 PolarHBondContact O-N 3.07Å; I99-S101 VanDerWaalsContact C-N 3.35Å; I99-S101 PolarHBondContact O-N 2.87Å; S101-E104 PolarHBondContact O-N 3.23Å; S101-M105 WeakPolarHBondContact O-CB 3.4Å; S101-M105 WeakPolarHBondContact O-CG 3.21Å; S101-M105 PolarHBondContact O-N 3.02Å
102L97.9Very high97.2Very high17 Ų1747.1 Ų47.19%0.08925%0.252CS..Hα-helixtrans-64.6-42.3177.5-76.5169.6000112.6M6 V71 R98 I99 R100 M105 N106 Y110M6-L102 HydrophobicContact CE-CD2 4.14Å; M6-L102 HydrophobicContact CE-CG 4.16Å; M6-L102 HydrophobicContact SD-CD2 4.31Å; M6-L102 HydrophobicContact SD-CG 4.31Å; V71-L102 HydrophobicContact CB-CD1 4.4Å; V71-L102 HydrophobicContact CG1-CD1 3.95Å; V71-L102 HydrophobicContact CG2-CD1 3.53Å; R98-L102 HydrophobicContact CG-CD1 4.18Å; R98-L102 WeakPolarHBondContact O-CB 3.49Å; R98-L102 VanDerWaalsContact O-CG 3.3Å; R98-L102 WeakPolarHBondContact O-CG 3.33Å; R98-L102 PolarHBondContact O-N 3.18Å; I99-L102 PolarHBondContact O-N 2.9Å; R100-L102 VanDerWaalsContact C-N 3.31Å; R100-L102 PolarHBondContact O-N 3.38Å; L102-M105 PolarHBondContact O-N 3.41Å; L102-N106 WeakPolarHBondContact O-CB 3.48Å; L102-N106 PolarHBondContact O-N 2.96Å; L102-N106 PolarHBondContact O-ND2 3.17Å; L102-Y110 HydrophobicContact CB-CD2 3.81Å; L102-Y110 HydrophobicContact CB-CE2 4.33Å; L102-Y110 HydrophobicContact CB-CG 4.01Å; L102-Y110 HydrophobicContact CD1-CD1 4.42Å; L102-Y110 HydrophobicContact CD2-CE2 4.21Å
103R97.7Very high97.3Very high43 Ų4347.1 Ų47.116%0.16225%0.252CS..Hα-helixtrans-63.4-42.5176-71.1173.6-179.8-175.70.6111.7L40 I99 R100 N106 Y110 Q111 I113L40-R103 PolarHBondContact O-NH1 3.25Å; L40-R103 PolarHBondContact O-NH2 2.98Å; I99-R103 HydrophobicContact CG2-CG 4.44Å; I99-R103 WeakPolarHBondContact O-CG 3.45Å; I99-R103 PolarHBondContact O-N 2.9Å; R100-R103 PolarHBondContact O-N 3.11Å; R103-N106 CarbonylContact O-C 3.16Å; R103-Y110 PolarHBondContact NE-O 2.87Å; R103-Q111 VanDerWaalsContact CD-OE1 3.24Å; R103-Q111 PolarHBondContact NH2-O 3.18Å; R103-I113 PolarHBondContact NH2-O 2.91Å
104E96.7Very high97.4Very high104 Ų10445.1 Ų45.149%0.48624%0.241SC..Hα-helixtrans-67.1-41.8177-73.2176.3-156.600112.6T4 R100 S101 N106T4-E104 WeakPolarHBondContact CB-OE2 3.35Å; T4-E104 HydrophobicContact CG2-CB 4Å; T4-E104 WeakPolarHBondContact CG2-OE2 3.42Å; T4-E104 PolarHBondContact OG1-OE2 3.49Å; R100-E104 WeakPolarHBondContact CG-OE1 3.4Å; R100-E104 WeakPolarHBondContact O-CG 3.29Å; R100-E104 PolarHBondContact O-N 3.04Å; S101-E104 PolarHBondContact O-N 3.23Å; E104-N106 VanDerWaalsContact C-N 3.34Å
105M96.6Very high97.4Very high78 Ų7844.4 Ų44.438%0.38424%0.239SC..Hα-helixtrans-74.2-24.2179.2-69.9170.5-168.100113.3T4 M6 S101 L102T4-M105 HydrophobicContact CG2-CE 3.94Å; T4-M105 WeakPolarHBondContact O-CE 3.3Å; M6-M105 HydrophobicContact CG-CE 3.91Å; M6-M105 HydrophobicContact CG-SD 4.15Å; M6-M105 HydrophobicContact SD-CE 4.13Å; M6-M105 HydrophobicContact SD-SD 4.03Å; S101-M105 WeakPolarHBondContact O-CB 3.4Å; S101-M105 WeakPolarHBondContact O-CG 3.21Å; S101-M105 PolarHBondContact O-N 3.02Å; L102-M105 PolarHBondContact O-N 3.41Å
106N96.4Very high97.4Very high63 Ų6345.3 Ų45.334%0.33724%0.244SC..SBendtrans-131.876-176.2-51.5-91.6000109.7L102 R103 E104 G108 S109 Y110L102-N106 WeakPolarHBondContact O-CB 3.48Å; L102-N106 PolarHBondContact O-N 2.96Å; L102-N106 PolarHBondContact O-ND2 3.17Å; R103-N106 CarbonylContact O-C 3.16Å; E104-N106 VanDerWaalsContact C-N 3.34Å; N106-G108 PolarHBondContact O-N 2.93Å; N106-S109 WeakPolarHBondContact O-CB 3.45Å; N106-S109 PolarHBondContact O-N 3.34Å; N106-Y110 HydrophobicContact CB-CD2 4.15Å; N106-Y110 HydrophobicContact CB-CE2 4.01Å
107P94.4Very high97.3Very high114 Ų11445.4 Ų45.474%0.7424%0.241SC*.THydrogen-bonded Turntrans-50.5131.7-180-28.335.7000112.3S109P107-S109 VanDerWaalsContact C-N 3.28Å; P107-S109 PolarHBondContact O-N 3.26Å
108G93Very high97.2Very high70 Ų7043.5 Ų43.572%0.72223%0.231SC*.THydrogen-bonded Turntrans80.1-6.4-176.500000115.8N106N106-G108 PolarHBondContact O-N 2.93Å
109S96.9Very high97.1Very high57 Ų5742 Ų4240%0.39923%0.226SC..SBendtrans-106158.4176.2-59.40000111.9N106 P107 Q111N106-S109 WeakPolarHBondContact O-CB 3.45Å; N106-S109 PolarHBondContact O-N 3.34Å; P107-S109 VanDerWaalsContact C-N 3.28Å; P107-S109 PolarHBondContact O-N 3.26Å; S109-Q111 PolarHBondContact O-N 2.99Å; S109-Q111 VanDerWaalsContact O-N 3.09Å
110Y98.3Very high96.8Very high46 Ų4642 Ų4218%0.1823%0.227CC..SBendtrans61.315177.7-48.4-77.6000115.5V71 S74 L102 R103 N106 N112 I113V71-Y110 HydrophobicContact CG1-CE1 3.99Å; S74-Y110 WeakPolarHBondContact OG-CA 3.41Å; S74-Y110 WeakPolarHBondContact OG-CD1 3.36Å; L102-Y110 HydrophobicContact CB-CD2 3.81Å; L102-Y110 HydrophobicContact CB-CE2 4.33Å; L102-Y110 HydrophobicContact CB-CG 4.01Å; L102-Y110 HydrophobicContact CD1-CD1 4.42Å; L102-Y110 HydrophobicContact CD2-CE2 4.21Å; R103-Y110 PolarHBondContact NE-O 2.87Å; N106-Y110 HydrophobicContact CB-CD2 4.15Å; N106-Y110 HydrophobicContact CB-CE2 4.01Å; Y110-N112 PolarHBondContact O-N 3.13Å; Y110-I113 HydrophobicContact CD1-CD1 3.99Å; Y110-I113 WeakPolarHBondContact O-CG1 3.4Å
111Q98.1Very high96.6Very high23 Ų2336.7 Ų36.711%0.10721%0.208CC..THydrogen-bonded Turntrans-72.4-21.4175.9-60.2-57.6-13.500112.6Y41 D43 L44 R103 S109Y41-Q111 WeakPolarHBondContact CD1-O 3.3Å; D43-Q111 HydrophobicContact CB-CB 4.4Å; D43-Q111 HydrophobicContact CB-CG 4.23Å; D43-Q111 PolarHBondContact OD2-NE2 3.05Å; D43-Q111 PolarHBondContact OD2-OE1 3.18Å; D43-Q111 VanDerWaalsContact OD2-OE1 3.07Å; L44-Q111 HydrophobicContact CD1-CB 4.15Å; L44-Q111 WeakPolarHBondContact CD1-O 3.35Å; L44-Q111 HydrophobicContact CG-CB 4.29Å; R103-Q111 VanDerWaalsContact CD-OE1 3.24Å; R103-Q111 PolarHBondContact NH2-O 3.18Å; S109-Q111 PolarHBondContact O-N 2.99Å; S109-Q111 VanDerWaalsContact O-N 3.09Å
112N98.5Very high96.3Very high6 Ų639.5 Ų39.53%0.03222%0.219CC..THydrogen-bonded Turntrans-88.62.2-17868.3-32.4000114.4Y41 L44 S74 F77 K80 L81 M82 Y110Y41-N112 WeakPolarHBondContact CE1-O 3.1Å; L44-N112 HydrophobicContact CD1-CB 4.09Å; S74-N112 PolarHBondContact O-ND2 3.15Å; S74-N112 VanDerWaalsContact O-ND2 3.09Å; S74-N112 PolarHBondContact OG-OD1 3.03Å; F77-N112 PolarHBondContact O-ND2 3.49Å; K80-N112 WeakPolarHBondContact O-CB 3.35Å; K80-N112 PolarHBondContact O-ND2 3.41Å; K80-N112 VanDerWaalsContact O-ND2 3.11Å; L81-N112 CarbonylContact C-O 3.48Å; L81-N112 WeakPolarHBondContact CA-O 3.49Å; L81-N112 HydrophobicContact CD2-CB 4.15Å; M82-N112 PolarHBondContact N-O 3.4Å; Y110-N112 PolarHBondContact O-N 3.13Å
113I98.8Very high96.2Very high0 Ų040.5 Ų40.50%022%0.222CC..EExtended strand (participates in β ladder)trans-120.3142.2179.360.9169.1000112.2L70 V71 M82 I99 R103 Y110L70-I113 HydrophobicContact CB-CB 4.3Å; L70-I113 HydrophobicContact CB-CD1 4.18Å; L70-I113 HydrophobicContact CB-CG2 4.29Å; V71-I113 HydrophobicContact CG2-CD1 4.15Å; M82-I113 HydrophobicContact CB-CG2 4.08Å; M82-I113 HydrophobicContact CG-CG2 4.13Å; M82-I113 WeakPolarHBondContact O-CA 3.35Å; M82-I113 HydrophobicContact SD-CG2 4.03Å; I99-I113 HydrophobicContact CD1-CD1 4.21Å; I99-I113 HydrophobicContact CD1-CG1 4.2Å; I99-I113 HydrophobicContact CG1-CD1 3.97Å; I99-I113 HydrophobicContact CG1-CG1 4.26Å; I99-I113 HydrophobicContact CG2-CG1 4.21Å; I99-I113 WeakPolarHBondContact CG2-O 3.1Å; R103-I113 PolarHBondContact NH2-O 2.91Å; Y110-I113 HydrophobicContact CD1-CD1 3.99Å; Y110-I113 WeakPolarHBondContact O-CG1 3.4Å
114A98.6Very high96.1Very high5 Ų538.4 Ų38.44%0.04121%0.214CC..EExtended strand (participates in β ladder)trans-145.3167.717400000111.3L40 Y41 M82 L83 G84L40-A114 HydrophobicContact CB-CB 3.73Å; L40-A114 HydrophobicContact CD1-CB 4.21Å; L40-A114 HydrophobicContact CD2-CB 4.32Å; L40-A114 HydrophobicContact CG-CB 4.31Å; Y41-A114 HydrophobicContact CD1-CB 4.37Å; Y41-A114 HydrophobicContact CE1-CB 3.65Å; Y41-A114 HydrophobicContact CE2-CB 4.31Å; M82-A114 PolarHBondContact O-N 3.14Å; L83-A114 HydrophobicContact CD1-CB 4.11Å; G84-A114 PolarHBondContact N-O 2.71Å
115C98.5Very high96.1Very high2 Ų235.2 Ų35.21%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-131.7132.9173.5178.70000110.5G84 V95 Q96 I99G84-C115 CarbonylContact O-C 3.53Å; G84-C115 WeakPolarHBondContact O-CA 3.34Å; V95-C115 HydrophobicContact CB-CB 3.87Å; V95-C115 HydrophobicContact CG1-CB 3.45Å; V95-C115 VanDerWaalsContact CG1-CB 3.45Å; Q96-C115 HydrophobicContact CG-CB 4.29Å; Q96-C115 PolarHBondContact NE2-O 2.91Å; I99-C115 HydrophobicContact CD1-CB 4.35Å
116L97.5Very high96.1Very high20 Ų2033.4 Ų33.411%0.10519%0.194CC..EExtended strand (participates in β ladder)trans-121133.6178.5-173.7149.6000109.6M35 L40 L83 G84 L85 E86 S118 F127M35-L116 HydrophobicContact CE-CD1 3.71Å; L40-L116 HydrophobicContact CD1-CB 4.5Å; L40-L116 HydrophobicContact CD1-CD1 4.16Å; L83-L116 HydrophobicContact CD1-CB 3.97Å; L83-L116 HydrophobicContact CD2-CB 4.44Å; L83-L116 HydrophobicContact CG-CB 4.48Å; G84-L116 PolarHBondContact O-N 3.43Å; L85-L116 HydrophobicContact CD2-CB 4.31Å; L85-L116 HydrophobicContact CD2-CD2 3.93Å; E86-L116 PolarHBondContact N-O 3.12Å; E86-L116 VanDerWaalsContact N-O 3.14Å; L116-S118 PolarHBondContact O-N 3.5Å; L116-F127 HydrophobicContact CD1-CD1 4.42Å; L116-F127 HydrophobicContact CD1-CE1 3.87Å; L116-F127 HydrophobicContact CD2-CE1 3.94Å; L116-F127 HydrophobicContact CD2-CE2 4.49Å; L116-F127 HydrophobicContact CD2-CZ 3.77Å
117R96.8Very high96.1Very high72 Ų7230.4 Ų30.427%0.27218%0.178SC..EExtended strand (participates in β ladder)trans-77.4107.1174.2-173.5-163.1170.5-154-5.3109.6T25 F26 E86 S92T25-R117 PolarHBondContact O-NH1 2.79Å; F26-R117 HydrophobicContact CD1-CG 4.36Å; F26-R117 HydrophobicContact CE1-CG 4.3Å; E86-R117 CarbonylContact O-C 3.53Å; E86-R117 WeakPolarHBondContact O-CA 3.48Å; S92-R117 WeakPolarHBondContact OG-CB 3.45Å
118S95.9Very high96.3Very high2 Ų225 Ų251%0.01414%0.143CC..  trans-156.4165.5-179.4174.10000112.3E86 I87 L116 F127E86-S118 CarbonylContact C-O 3.58Å; E86-S118 PolarHBondContact O-N 2.78Å; I87-S118 WeakPolarHBondContact CA-O 3.13Å; I87-S118 PolarHBondContact N-O 2.84Å; L116-S118 PolarHBondContact O-N 3.5Å; S118-F127 WeakPolarHBondContact OG-CE2 3.48Å
119N94.8Very high96.5Very high5 Ų524.8 Ų24.83%0.02712%0.122CC..  trans-100.8101.5169.8-173.2-8.6000110.1P20 F26 I87 M121 K122 Y123P20-N119 PolarHBondContact O-ND2 3.41Å; F26-N119 HydrophobicContact CD2-CB 4.41Å; F26-N119 HydrophobicContact CE2-CB 3.72Å; F26-N119 HydrophobicContact CZ-CB 3.88Å; I87-N119 HydrophobicContact CD1-CB 4.16Å; I87-N119 HydrophobicContact CG1-CB 4.4Å; N119-M121 PolarHBondContact O-N 3.41Å; N119-M121 VanDerWaalsContact O-N 3.12Å; N119-M121 VanDerWaalsContact OD1-CB 3.31Å; N119-M121 WeakPolarHBondContact OD1-CB 3.35Å; N119-M121 PolarHBondContact OD1-N 2.87Å; N119-K122 HydrophobicContact CB-CB 4.37Å; N119-K122 WeakPolarHBondContact ND2-CD 3.25Å; N119-K122 PolarHBondContact O-N 3.48Å; N119-Y123 HydrophobicContact CB-CD2 4.19Å; N119-Y123 HydrophobicContact CB-CE2 4.32Å; N119-Y123 PolarHBondContact O-N 3.1Å; N119-Y123 VanDerWaalsContact O-N 3.13Å
120A92.5Very high96.5Very high7 Ų728.9 Ų28.96%0.05813%0.133CC..THydrogen-bonded Turntrans-61.8-16.617700000113.9I62 L85 K122 L124I62-A120 HydrophobicContact CD1-CB 4.34Å; I62-A120 HydrophobicContact CG2-CB 3.54Å; L85-A120 HydrophobicContact CD1-CB 4.2Å; A120-K122 VanDerWaalsContact C-N 3.29Å; A120-L124 WeakPolarHBondContact O-CB 3.5Å
121M92.7Very high96.5Very high25 Ų2527.8 Ų27.812%0.12314%0.135CC..THydrogen-bonded Turntrans-81.7-6.1174.6-60.7175.169.900114P20 M21 N119 I154 L159P20-M121 HydrophobicContact CB-CE 4.47Å; P20-M121 HydrophobicContact CB-SD 3.4Å; P20-M121 WeakPolarHBondContact CB-SD 3.5Å; P20-M121 HydrophobicContact CG-CE 4.26Å; P20-M121 HydrophobicContact CG-SD 3.58Å; P20-M121 VanDerWaalsContact CG-SD 3.58Å; M21-M121 HydrophobicContact CE-CE 4.06Å; N119-M121 PolarHBondContact O-N 3.41Å; N119-M121 VanDerWaalsContact O-N 3.12Å; N119-M121 VanDerWaalsContact OD1-CB 3.31Å; N119-M121 WeakPolarHBondContact OD1-CB 3.35Å; N119-M121 PolarHBondContact OD1-N 2.87Å; M121-I154 HydrophobicContact CG-CD1 3.4Å; M121-I154 HydrophobicContact SD-CD1 4.25Å; M121-L159 HydrophobicContact CB-CD1 4.37Å; M121-L159 HydrophobicContact CB-CD2 4.05Å; M121-L159 HydrophobicContact CE-CD1 3.87Å; M121-L159 HydrophobicContact CG-CD1 3.95Å; M121-L159 HydrophobicContact CG-CD2 4.39Å
122K92.8Very high96.5Very high70 Ų7027.3 Ų27.330%0.30413%0.133SC..THydrogen-bonded Turntrans-123.8-35.7-174.5-70.9-174.4177.3-179.10113.3P20 N119 A120P20-K122 VanDerWaalsContact O-CE 3.27Å; P20-K122 WeakPolarHBondContact O-CE 3.19Å; P20-K122 PolarHBondContact O-NZ 3.08Å; N119-K122 HydrophobicContact CB-CB 4.37Å; N119-K122 WeakPolarHBondContact ND2-CD 3.25Å; N119-K122 PolarHBondContact O-N 3.48Å; A120-K122 VanDerWaalsContact C-N 3.29Å
123Y94.9Very high96.5Very high38 Ų3827 Ų2715%0.14913%0.132CC..SBendtrans-125.67.6-163.1-54.8-61.5000113.5F26 Y28 N119 N126 F127F26-Y123 HydrophobicContact CB-CE2 4.4Å; F26-Y123 HydrophobicContact CD2-CD2 4.4Å; F26-Y123 AromaticContact CD2-CE2 3.66Å; F26-Y123 HydrophobicContact CD2-CE2 3.66Å; F26-Y123 HydrophobicContact CE2-CE2 4.3Å; F26-Y123 HydrophobicContact CG-CE2 4.33Å; Y28-Y123 HydrophobicContact CD1-CD1 4.12Å; Y28-Y123 HydrophobicContact CD1-CD2 4.39Å; Y28-Y123 AromaticContact CD1-CE1 3.88Å; Y28-Y123 HydrophobicContact CD1-CE1 3.88Å; Y28-Y123 HydrophobicContact CD1-CE2 4.18Å; Y28-Y123 HydrophobicContact CD1-CG 4.36Å; Y28-Y123 AromaticContact CD1-CZ 3.91Å; Y28-Y123 AromaticContact CD2-CD1 3.6Å; Y28-Y123 HydrophobicContact CD2-CD1 3.6Å; Y28-Y123 AromaticContact CD2-CE1 3.81Å; Y28-Y123 HydrophobicContact CD2-CE1 3.81Å; Y28-Y123 HydrophobicContact CD2-CG 4.26Å; Y28-Y123 HydrophobicContact CE1-CD1 4.32Å; Y28-Y123 AromaticContact CE1-CE1 3.66Å; Y28-Y123 HydrophobicContact CE1-CE1 3.66Å; Y28-Y123 HydrophobicContact CE1-CE2 4.36Å; Y28-Y123 AromaticContact CE1-CZ 3.67Å; Y28-Y123 AromaticContact CE2-CD1 3.81Å; Y28-Y123 HydrophobicContact CE2-CD1 3.81Å; Y28-Y123 AromaticContact CE2-CE1 3.57Å; Y28-Y123 HydrophobicContact CE2-CE1 3.57Å; Y28-Y123 AromaticContact CG-CD1 3.77Å; Y28-Y123 HydrophobicContact CG-CD1 3.77Å; Y28-Y123 HydrophobicContact CG-CD2 4.45Å; Y28-Y123 AromaticContact CG-CE1 3.97Å; Y28-Y123 HydrophobicContact CG-CE1 3.97Å; Y28-Y123 HydrophobicContact CG-CG 4.02Å; Y28-Y123 AromaticContact CZ-CE1 3.49Å; Y28-Y123 VanDerWaalsContact CZ-CE1 3.49Å; Y28-Y123 AromaticContact CZ-CZ 3.96Å; N119-Y123 HydrophobicContact CB-CD2 4.19Å; N119-Y123 HydrophobicContact CB-CE2 4.32Å; N119-Y123 PolarHBondContact O-N 3.1Å; N119-Y123 VanDerWaalsContact O-N 3.13Å; Y123-N126 WeakPolarHBondContact CA-OD1 3.32Å; Y123-N126 VanDerWaalsContact O-CB 3.29Å; Y123-N126 WeakPolarHBondContact O-CB 3.41Å; Y123-N126 PolarHBondContact O-N 2.98Å; Y123-F127 WeakPolarHBondContact O-CD2 3.48Å; Y123-F127 WeakPolarHBondContact O-CE2 3.34Å; Y123-F127 PolarHBondContact O-N 3Å
124L95.3Very high96.5Very high0 Ų027.9 Ų27.90%014%0.137CC..Hα-helixtrans-57-45.2-175.8-16877.4000112.6I62 L85 A120 N126 F127 F128 M136 Y163 T166I62-L124 HydrophobicContact CD1-CD1 4Å; L85-L124 HydrophobicContact CD1-CD1 3.6Å; A120-L124 WeakPolarHBondContact O-CB 3.5Å; L124-N126 PolarHBondContact O-N 3.17Å; L124-F127 PolarHBondContact O-N 2.94Å; L124-F128 HydrophobicContact CD1-CD2 3.79Å; L124-F128 HydrophobicContact CD1-CE2 3.59Å; L124-F128 HydrophobicContact CG-CD2 4.08Å; L124-F128 HydrophobicContact CG-CE2 4.39Å; L124-F128 PolarHBondContact O-N 2.95Å; L124-M136 HydrophobicContact CD2-CE 3.68Å; L124-Y163 HydrophobicContact CD2-CD1 3.44Å; L124-Y163 VanDerWaalsContact CD2-CD1 3.44Å; L124-Y163 HydrophobicContact CD2-CE1 3.68Å; L124-T166 HydrophobicContact CG-CG2 4.41Å
125P96.5Very high96.5Very high37 Ų3729.2 Ų29.224%0.2414%0.142CC..Hα-helixtrans-69.1-16.1176.3-19.634.8000114.3P32 F127 E162 Y165P32-P125 WeakPolarHBondContact CG-O 3.33Å; P125-F127 VanDerWaalsContact C-N 3.34Å; P125-E162 HydrophobicContact CG-CB 4.01Å; P125-E162 HydrophobicContact CG-CG 3.88Å; P125-Y165 HydrophobicContact CB-CD1 4.43Å
126N96.9Very high96.5Very high39 Ų3929.1 Ų29.121%0.20914%0.141CC..Hα-helixtrans-72.7-30173.8-61.985.7000111.6P29 V30 C31 P32 Y123 L124P29-N126 HydrophobicContact CG-CB 4.38Å; P29-N126 VanDerWaalsContact CG-O 3.25Å; P29-N126 WeakPolarHBondContact CG-O 3.22Å; P29-N126 WeakPolarHBondContact O-CB 3.19Å; P29-N126 PolarHBondContact O-ND2 3.46Å; V30-N126 PolarHBondContact O-ND2 2.61Å; C31-N126 CarbonylContact C-O 3.58Å; P32-N126 VanDerWaalsContact CA-O 3.25Å; P32-N126 WeakPolarHBondContact CA-O 3.34Å; P32-N126 WeakPolarHBondContact CD-O 3.36Å; Y123-N126 WeakPolarHBondContact CA-OD1 3.32Å; Y123-N126 VanDerWaalsContact O-CB 3.29Å; Y123-N126 WeakPolarHBondContact O-CB 3.41Å; Y123-N126 PolarHBondContact O-N 2.98Å; L124-N126 PolarHBondContact O-N 3.17Å
127F96.8Very high96.6Very high1 Ų128.3 Ų28.30%0.00414%0.137CC..Hα-helixtrans-88.2-30.5-178.3-65.1-74.1000113.6P29 M35 W37 L116 S118 Y123 L124 P125P29-F127 HydrophobicContact CG-CD1 3.93Å; P29-F127 HydrophobicContact CG-CE1 4.11Å; M35-F127 HydrophobicContact CG-CD1 4.42Å; M35-F127 HydrophobicContact SD-CD1 3.88Å; M35-F127 HydrophobicContact SD-CE1 4.1Å; W37-F127 HydrophobicContact CH2-CB 4.45Å; W37-F127 HydrophobicContact CZ2-CB 4.49Å; W37-F127 WeakPolarHBondContact CZ2-O 3.45Å; L116-F127 HydrophobicContact CD1-CD1 4.42Å; L116-F127 HydrophobicContact CD1-CE1 3.87Å; L116-F127 HydrophobicContact CD2-CE1 3.94Å; L116-F127 HydrophobicContact CD2-CE2 4.49Å; L116-F127 HydrophobicContact CD2-CZ 3.77Å; S118-F127 WeakPolarHBondContact OG-CE2 3.48Å; Y123-F127 WeakPolarHBondContact O-CD2 3.48Å; Y123-F127 WeakPolarHBondContact O-CE2 3.34Å; Y123-F127 PolarHBondContact O-N 3Å; L124-F127 PolarHBondContact O-N 2.94Å; P125-F127 VanDerWaalsContact C-N 3.34Å
128F97.5Very high96.7Very high0 Ų024.9 Ų24.90%012%0.124CC..SBendtrans-123.3135.2-167-57.4-58.4000112.6P32 W37 V57 A60 L83 L85 L124 Q132 L133 T166P32-F128 VanDerWaalsContact CG-C 3.45Å; P32-F128 WeakPolarHBondContact CG-O 3.44Å; W37-F128 HydrophobicContact CH2-CD1 4.41Å; W37-F128 AromaticContact CH2-CE1 3.7Å; W37-F128 HydrophobicContact CH2-CE1 3.7Å; W37-F128 HydrophobicContact CH2-CZ 4.32Å; W37-F128 HydrophobicContact CZ2-CD1 4.15Å; W37-F128 AromaticContact CZ2-CE1 3.87Å; W37-F128 HydrophobicContact CZ2-CE1 3.87Å; V57-F128 HydrophobicContact CB-CE1 3.93Å; V57-F128 HydrophobicContact CG1-CE1 3.77Å; V57-F128 HydrophobicContact CG1-CZ 4.23Å; A60-F128 HydrophobicContact CB-CE2 4.48Å; A60-F128 HydrophobicContact CB-CZ 4.48Å; L83-F128 HydrophobicContact CD2-CE1 4.36Å; L83-F128 HydrophobicContact CD2-CZ 3.8Å; L85-F128 HydrophobicContact CD1-CE2 4.28Å; L124-F128 HydrophobicContact CD1-CD2 3.79Å; L124-F128 HydrophobicContact CD1-CE2 3.59Å; L124-F128 HydrophobicContact CG-CD2 4.08Å; L124-F128 HydrophobicContact CG-CE2 4.39Å; L124-F128 PolarHBondContact O-N 2.95Å; F128-Q132 HydrophobicContact CB-CB 4.37Å; F128-L133 HydrophobicContact CD1-CD2 4.02Å; F128-L133 HydrophobicContact CD2-CD1 3.96Å; F128-L133 HydrophobicContact CD2-CD2 4.46Å; F128-L133 HydrophobicContact CD2-CG 4.4Å; F128-L133 HydrophobicContact CE1-CD2 3.97Å; F128-L133 HydrophobicContact CE2-CD1 4.12Å; F128-L133 HydrophobicContact CE2-CD2 4.4Å; F128-L133 HydrophobicContact CG-CD1 4.34Å; F128-L133 HydrophobicContact CG-CD2 4.26Å; F128-L133 HydrophobicContact CG-CG 4.29Å; F128-L133 HydrophobicContact CZ-CD2 4.15Å; F128-T166 HydrophobicContact CB-CG2 3.86Å
129F97.4Very high96.8Very high65 Ų6525.6 Ų25.629%0.28513%0.128SC..  trans-63.9162.2169.9-64.1-84.6000111.4P32 E33 G131 Q132P32-F129 HydrophobicContact CB-CD1 3.9Å; P32-F129 HydrophobicContact CB-CD2 3.92Å; P32-F129 HydrophobicContact CB-CE1 3.92Å; P32-F129 HydrophobicContact CB-CE2 3.89Å; P32-F129 HydrophobicContact CB-CG 3.9Å; P32-F129 HydrophobicContact CB-CZ 3.89Å; E33-F129 HydrophobicContact CB-CZ 4.49Å; E33-F129 HydrophobicContact CG-CE1 3.72Å; E33-F129 HydrophobicContact CG-CZ 3.89Å; E33-F129 VanDerWaalsContact OE1-CE1 3.27Å; E33-F129 WeakPolarHBondContact OE1-CE1 3.46Å; F129-G131 PolarHBondContact O-N 2.96Å; F129-Q132 HydrophobicContact CB-CB 4.2Å; F129-Q132 VanDerWaalsContact CD2-OE1 3.28Å; F129-Q132 WeakPolarHBondContact O-CB 3.09Å; F129-Q132 PolarHBondContact O-N 2.82Å; F129-Q132 VanDerWaalsContact O-N 3.12Å
130K97.6Very high96.9Very high144 Ų14426.4 Ų26.463%0.62613%0.131SC*.THydrogen-bonded Turntrans-55.1126.6171.3-174.1-178.5177.2-178.60110.1Q132 Y165K130-Q132 PolarHBondContact O-N 3.4Å; K130-Y165 CarbonylContact C-O 3.56Å; K130-Y165 VanDerWaalsContact CA-O 3.23Å; K130-Y165 WeakPolarHBondContact CA-O 3.23Å; K130-Y165 HydrophobicContact CB-CD2 4.35Å; K130-Y165 HydrophobicContact CB-CE1 4.19Å; K130-Y165 HydrophobicContact CB-CE2 3.84Å; K130-Y165 HydrophobicContact CD-CD2 4.43Å; K130-Y165 HydrophobicContact CD-CE2 4.11Å; K130-Y165 HydrophobicContact CG-CD2 4.08Å; K130-Y165 HydrophobicContact CG-CE2 3.94Å; K130-Y165 WeakPolarHBondContact CG-O 3.35Å
131G98Very high97Very high22 Ų2227.2 Ų27.223%0.22714%0.136CC..THydrogen-bonded Turntrans63.419.4178.600000114.8F129 Y165 T166 R168F129-G131 PolarHBondContact O-N 2.96Å; G131-Y165 PolarHBondContact N-O 3.36Å; G131-T166 CarbonylContact C-O 3.54Å; G131-T166 WeakPolarHBondContact CA-O 3.21Å; G131-R168 WeakPolarHBondContact O-CB 3.23Å
132Q98.3Very high96.9Very high14 Ų1428.1 Ų28.17%0.06514%0.141CC..  trans-66.3-42.3179.5-173.6-178-38.200111.9K56 V57 F128 F129 K130 T166 R168K56-Q132 HydrophobicContact CB-CG 4.23Å; K56-Q132 HydrophobicContact CD-CG 4.46Å; V57-Q132 WeakPolarHBondContact O-CG 3.33Å; V57-Q132 PolarHBondContact O-NE2 3.24Å; F128-Q132 HydrophobicContact CB-CB 4.37Å; F129-Q132 HydrophobicContact CB-CB 4.2Å; F129-Q132 VanDerWaalsContact CD2-OE1 3.28Å; F129-Q132 WeakPolarHBondContact O-CB 3.09Å; F129-Q132 PolarHBondContact O-N 2.82Å; F129-Q132 VanDerWaalsContact O-N 3.12Å; K130-Q132 PolarHBondContact O-N 3.4Å; Q132-T166 PolarHBondContact N-O 2.85Å; Q132-R168 PolarHBondContact O-NH2 3.34Å
133L98.8Very high96.7Very high0 Ų025.8 Ų25.80%013%0.133CC..EExtended strand (participates in β ladder)trans-78.2148.9-175.1-58176.5000110.9V57 E58 A60 F128 M136 T166 L167 R168V57-L133 HydrophobicContact CG1-CD2 4.27Å; E58-L133 CarbonylContact O-C 3.38Å; E58-L133 WeakPolarHBondContact O-CA 3.27Å; A60-L133 HydrophobicContact CB-CD1 3.79Å; A60-L133 HydrophobicContact CB-CD2 4.12Å; F128-L133 HydrophobicContact CD1-CD2 4.02Å; F128-L133 HydrophobicContact CD2-CD1 3.96Å; F128-L133 HydrophobicContact CD2-CD2 4.46Å; F128-L133 HydrophobicContact CD2-CG 4.4Å; F128-L133 HydrophobicContact CE1-CD2 3.97Å; F128-L133 HydrophobicContact CE2-CD1 4.12Å; F128-L133 HydrophobicContact CE2-CD2 4.4Å; F128-L133 HydrophobicContact CG-CD1 4.34Å; F128-L133 HydrophobicContact CG-CD2 4.26Å; F128-L133 HydrophobicContact CG-CG 4.29Å; F128-L133 HydrophobicContact CZ-CD2 4.15Å; L133-M136 HydrophobicContact CD1-CE 4.43Å; L133-M136 HydrophobicContact CD1-CG 3.9Å; L133-M136 HydrophobicContact CD1-SD 4.12Å; L133-T166 PolarHBondContact N-O 3.23Å; L133-L167 HydrophobicContact CB-CD1 3.95Å; L133-L167 WeakPolarHBondContact O-CD1 3.28Å; L133-R168 VanDerWaalsContact O-CG 3.31Å; L133-R168 WeakPolarHBondContact O-CG 3.48Å; L133-R168 PolarHBondContact O-N 2.79Å; L133-R168 PolarHBondContact O-NE 3.32Å
134S98.8Very high96.4Very high17 Ų1725 Ų2512%0.11913%0.131CC..EExtended strand (participates in β ladder)trans-111.9-22.6167.154.90000112.7E58 F59 G171 L172E58-S134 PolarHBondContact O-N 2.93Å; E58-S134 PolarHBondContact O-OG 2.91Å; E58-S134 PolarHBondContact OE2-OG 2.77Å; F59-S134 WeakPolarHBondContact CE1-OG 3.41Å; S134-G171 CarbonylContact O-C 3.56Å; S134-G171 WeakPolarHBondContact O-CA 3.46Å; S134-L172 PolarHBondContact O-N 3.07Å
135K98.9Very high95.9Very high33 Ų3330.7 Ų30.714%0.14316%0.156CC..EExtended strand (participates in β ladder)trans-139.3136.8176.6-58.6-172-175-65.50112.3E58 F59 A60 F137 L172 Y174 I209E58-K135 PolarHBondContact O-N 2.89Å; F59-K135 WeakPolarHBondContact CA-O 3.35Å; F59-K135 HydrophobicContact CD1-CB 3.68Å; F59-K135 HydrophobicContact CD1-CD 4.05Å; F59-K135 HydrophobicContact CD1-CG 3.83Å; F59-K135 HydrophobicContact CD2-CD 4.35Å; F59-K135 HydrophobicContact CE1-CB 4.07Å; F59-K135 HydrophobicContact CE1-CD 3.6Å; F59-K135 HydrophobicContact CE1-CG 3.65Å; F59-K135 HydrophobicContact CE2-CD 3.9Å; F59-K135 HydrophobicContact CG-CB 4.03Å; F59-K135 HydrophobicContact CG-CD 4.45Å; F59-K135 HydrophobicContact CG-CG 4.48Å; F59-K135 HydrophobicContact CZ-CD 3.53Å; F59-K135 HydrophobicContact CZ-CG 4.14Å; A60-K135 PolarHBondContact N-O 3.01Å; K135-F137 HydrophobicContact CB-CE2 3.82Å; K135-F137 HydrophobicContact CB-CZ 3.69Å; K135-F137 HydrophobicContact CD-CZ 3.99Å; K135-F137 HydrophobicContact CG-CZ 4.46Å; K135-L172 CarbonylContact C-O 3.56Å; K135-L172 VanDerWaalsContact CA-O 3.29Å; K135-L172 WeakPolarHBondContact CA-O 3.49Å; K135-Y174 HydrophobicContact CB-CE2 4.12Å; K135-Y174 HydrophobicContact CD-CE2 3.84Å; K135-Y174 HydrophobicContact CG-CE2 4.01Å; K135-Y174 PolarHBondContact NZ-OH 3.41Å; K135-I209 HydrophobicContact CD-CD1 3.54Å
136M98.9Very high95.3Very high0 Ų035.7 Ų35.70%017%0.174CC..EExtended strand (participates in β ladder)trans-125.4140170.6-63.7-179.475.400110.3A60 I62 L124 L133 F138 Y163 L167 L172 V173 Y174A60-M136 CarbonylContact O-C 3.58Å; A60-M136 WeakPolarHBondContact O-CA 3.43Å; I62-M136 HydrophobicContact CD1-CE 4.09Å; I62-M136 HydrophobicContact CG1-CE 4.02Å; L124-M136 HydrophobicContact CD2-CE 3.68Å; L133-M136 HydrophobicContact CD1-CE 4.43Å; L133-M136 HydrophobicContact CD1-CG 3.9Å; L133-M136 HydrophobicContact CD1-SD 4.12Å; M136-F138 HydrophobicContact CB-CE2 4.02Å; M136-F138 HydrophobicContact CE-CE2 4.32Å; M136-F138 HydrophobicContact CE-CZ 3.91Å; M136-Y163 HydrophobicContact CE-CD1 3.72Å; M136-Y163 HydrophobicContact CE-CE1 4.28Å; M136-Y163 HydrophobicContact CE-CG 3.94Å; M136-Y163 HydrophobicContact SD-CG 4.43Å; M136-L167 HydrophobicContact CG-CD1 4.18Å; M136-L167 HydrophobicContact SD-CB 4.25Å; M136-L167 HydrophobicContact SD-CD2 4.36Å; M136-L172 PolarHBondContact N-O 2.88Å; M136-V173 HydrophobicContact CB-CG2 4.37Å; M136-V173 CarbonylContact O-C 3.59Å; M136-V173 WeakPolarHBondContact O-CA 3.37Å; M136-Y174 PolarHBondContact O-N 3.27Å
137F98.8Very high94.6Very high3 Ų342.5 Ų42.51%0.01320%0.201CC..EExtended strand (participates in β ladder)trans-121.9131.4-178-51.9-86000110.7F59 A60 I62 L69 L73 K135 L139 Y174 I209 L213F59-F137 HydrophobicContact CB-CE2 4.14Å; F59-F137 HydrophobicContact CD2-CE2 4.33Å; F59-F137 HydrophobicContact CD2-CZ 4.47Å; F59-F137 HydrophobicContact CG-CE2 4.34Å; A60-F137 WeakPolarHBondContact O-CD2 3.4Å; A60-F137 PolarHBondContact O-N 3.12Å; I62-F137 WeakPolarHBondContact CB-O 3.46Å; I62-F137 PolarHBondContact N-O 3.11Å; L69-F137 HydrophobicContact CD2-CB 3.61Å; L69-F137 HydrophobicContact CD2-CD1 3.75Å; L69-F137 HydrophobicContact CD2-CD2 3.75Å; L69-F137 HydrophobicContact CD2-CE1 4.4Å; L69-F137 HydrophobicContact CD2-CE2 4.38Å; L69-F137 HydrophobicContact CD2-CG 3.4Å; L69-F137 VanDerWaalsContact CD2-CG 3.4Å; L73-F137 HydrophobicContact CD1-CE1 4.31Å; L73-F137 HydrophobicContact CD1-CE2 4.16Å; L73-F137 HydrophobicContact CD1-CZ 3.81Å; K135-F137 HydrophobicContact CB-CE2 3.82Å; K135-F137 HydrophobicContact CB-CZ 3.69Å; K135-F137 HydrophobicContact CD-CZ 3.99Å; K135-F137 HydrophobicContact CG-CZ 4.46Å; F137-L139 HydrophobicContact CB-CD2 4.23Å; F137-L139 HydrophobicContact CB-CG 4.25Å; F137-Y174 AromaticContact CD1-CD2 3.64Å; F137-Y174 HydrophobicContact CD1-CD2 3.64Å; F137-Y174 HydrophobicContact CD1-CE2 4.49Å; F137-Y174 AromaticContact CD1-CG 3.84Å; F137-Y174 HydrophobicContact CD1-CG 3.84Å; F137-Y174 AromaticContact CE1-CD2 3.29Å; F137-Y174 HydrophobicContact CE1-CD2 3.29Å; F137-Y174 AromaticContact CE1-CE2 3.73Å; F137-Y174 HydrophobicContact CE1-CE2 3.73Å; F137-Y174 AromaticContact CE1-CG 3.76Å; F137-Y174 HydrophobicContact CE1-CG 3.76Å; F137-Y174 HydrophobicContact CZ-CD2 4.08Å; F137-Y174 HydrophobicContact CZ-CE2 4.2Å; F137-I209 HydrophobicContact CE1-CD1 4.33Å; F137-I209 HydrophobicContact CE1-CG2 3.88Å; F137-I209 HydrophobicContact CZ-CD1 4.2Å; F137-L213 HydrophobicContact CD1-CD2 4.27Å
138F98.4Very high94.2Very high1 Ų148 Ų480%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-126.184.9173.9-60.2-90.1000108I62 M136 I154 Y163 V173 Y174 T175 I176I62-F138 HydrophobicContact CB-CD1 3.81Å; I62-F138 HydrophobicContact CB-CE1 3.65Å; I62-F138 HydrophobicContact CB-CZ 4.27Å; I62-F138 HydrophobicContact CG1-CD1 4.3Å; I62-F138 HydrophobicContact CG1-CE1 3.75Å; I62-F138 HydrophobicContact CG1-CE2 4.48Å; I62-F138 HydrophobicContact CG1-CZ 3.86Å; I62-F138 HydrophobicContact CG2-CD1 4.01Å; I62-F138 HydrophobicContact CG2-CE1 3.64Å; M136-F138 HydrophobicContact CB-CE2 4.02Å; M136-F138 HydrophobicContact CE-CE2 4.32Å; M136-F138 HydrophobicContact CE-CZ 3.91Å; F138-I154 HydrophobicContact CD1-CB 4.46Å; F138-I154 HydrophobicContact CD1-CG1 3.74Å; F138-I154 HydrophobicContact CD1-CG2 3.8Å; F138-I154 HydrophobicContact CE1-CG1 3.63Å; F138-I154 HydrophobicContact CE1-CG2 4.37Å; F138-Y163 HydrophobicContact CE1-CD2 4.49Å; F138-Y163 AromaticContact CE1-CE2 3.73Å; F138-Y163 HydrophobicContact CE1-CE2 3.73Å; F138-Y163 AromaticContact CE1-CZ 3.79Å; F138-Y163 HydrophobicContact CE2-CD2 4.37Å; F138-Y163 HydrophobicContact CE2-CE2 4.35Å; F138-Y163 AromaticContact CZ-CD2 3.7Å; F138-Y163 HydrophobicContact CZ-CD2 3.7Å; F138-Y163 HydrophobicContact CZ-CE1 4.29Å; F138-Y163 AromaticContact CZ-CE2 3.38Å; F138-Y163 HydrophobicContact CZ-CE2 3.38Å; F138-Y163 HydrophobicContact CZ-CG 4.29Å; F138-Y163 AromaticContact CZ-CZ 3.7Å; F138-V173 HydrophobicContact CD2-CG1 3.53Å; F138-V173 HydrophobicContact CE2-CG1 3.48Å; F138-V173 VanDerWaalsContact CE2-CG1 3.48Å; F138-Y174 PolarHBondContact N-O 3.35Å; F138-T175 HydrophobicContact CB-CG2 4.33Å; F138-T175 HydrophobicContact CD2-CG2 4.37Å; F138-T175 WeakPolarHBondContact O-CA 3.32Å; F138-I176 PolarHBondContact O-N 3.2Å; F138-I176 VanDerWaalsContact O-N 3.16Å
139L97.8Very high93.7Very high16 Ų1651.5 Ų51.58%0.08425%0.251CS..EExtended strand (participates in β ladder)trans-102.4120.3-173.9-46.3-168.9000111.2L69 F137 I176 L213 T217L69-L139 HydrophobicContact CB-CD1 4.16Å; L69-L139 HydrophobicContact CD1-CD1 3.99Å; L69-L139 HydrophobicContact CD2-CD1 3.75Å; L69-L139 HydrophobicContact CD2-CG 4.41Å; L69-L139 HydrophobicContact CG-CD1 4.18Å; F137-L139 HydrophobicContact CB-CD2 4.23Å; F137-L139 HydrophobicContact CB-CG 4.25Å; L139-I176 HydrophobicContact CB-CG2 3.85Å; L139-I176 HydrophobicContact CD2-CB 4.44Å; L139-I176 HydrophobicContact CD2-CG2 3.49Å; L139-I176 VanDerWaalsContact CD2-CG2 3.49Å; L139-I176 HydrophobicContact CG-CG2 4.14Å; L139-L213 HydrophobicContact CD1-CD2 3.95Å; L139-L213 HydrophobicContact CD2-CD2 3.85Å; L139-T217 HydrophobicContact CB-CG2 4.32Å; L139-T217 HydrophobicContact CD1-CG2 3.65Å
140F96.6Very high93.2Very high23 Ų2350.1 Ų50.110%0.10125%0.245CC..SBendtrans51.450.3-179.4-53.1-85.2000113.3I176 D178 T217 E219 V223 T230F140-I176 WeakPolarHBondContact CA-O 3.5Å; F140-I176 HydrophobicContact CD2-CG2 4.15Å; F140-I176 HydrophobicContact CE2-CG2 3.77Å; F140-I176 HydrophobicContact CZ-CD1 4.33Å; F140-I176 HydrophobicContact CZ-CG1 4.39Å; F140-I176 HydrophobicContact CZ-CG2 4.09Å; F140-I176 PolarHBondContact N-O 3.46Å; F140-D178 HydrophobicContact CD1-CB 4.46Å; F140-D178 HydrophobicContact CE1-CB 4.38Å; F140-T217 WeakPolarHBondContact CE2-OG1 3.31Å; F140-E219 HydrophobicContact CB-CB 3.72Å; F140-E219 HydrophobicContact CB-CG 4.12Å; F140-E219 HydrophobicContact CD1-CB 4.23Å; F140-E219 HydrophobicContact CD2-CB 3.78Å; F140-E219 HydrophobicContact CE2-CB 4.5Å; F140-E219 HydrophobicContact CG-CB 3.63Å; F140-V223 HydrophobicContact CD1-CG2 4.5Å; F140-V223 HydrophobicContact CE1-CG2 4.05Å; F140-T230 HydrophobicContact CE1-CG2 3.96Å; F140-T230 HydrophobicContact CZ-CG2 4.08Å
141P94.6Very high92.6Very high24 Ų2450.1 Ų50.116%0.15625%0.245CC..  trans-63153.9-179.629.4-35.9000111.4I154 V182 M186P141-I154 HydrophobicContact CB-CG2 3.74Å; P141-I154 HydrophobicContact CG-CG2 4.39Å; P141-V182 HydrophobicContact CG-CG1 4.11Å; P141-M186 HydrophobicContact CG-SD 4.04Å
142D91.3Very high92.3Very high43 Ų4351.2 Ų51.223%0.2324%0.242CC..  trans-59.6124.6179.2-173.5-23.7000111.2H17 H144H17-D142 WeakPolarHBondContact CB-OD2 3.35Å; H17-D142 IonicContact CE1-OD1 3.68Å; H17-D142 IonicContact CE1-OD2 3.53Å; H17-D142 IonicContact CG-OD2 3.05Å; H17-D142 IonicContact ND1-OD1 3.89Å; H17-D142 IonicContact ND1-OD2 3.55Å; H17-D142 PolarHBondContact ND1-OD2 3.38Å; D142-H144 VanDerWaalsContact C-N 3.33Å; D142-H144 PolarHBondContact O-N 2.79Å; D142-H144 IonicContact OD1-CE1 3.87Å; D142-H144 IonicContact OD1-CG 3.17Å; D142-H144 PolarHBondContact OD1-N 2.88Å; D142-H144 IonicContact OD1-ND1 3.65Å; D142-H144 PolarHBondContact OD1-ND1 2.84Å; D142-H144 IonicContact OD2-CE1 3.2Å; D142-H144 PolarHBondContact OD2-CE1 3.15Å; D142-H144 IonicContact OD2-ND1 3.7Å; D142-H144 PolarHBondContact OD2-ND1 3.26Å; D142-H144 IonicContact OD2-NE2 3.84Å
143P88.7Confident92Very high22 Ų2250.9 Ų50.914%0.14324%0.24CC..  trans-67.4-30.1-17624.6-35.2000114.2F145 R153 V179 V182P143-F145 HydrophobicContact CB-CD1 4.15Å; P143-F145 HydrophobicContact CB-CD2 4.03Å; P143-F145 HydrophobicContact CB-CE1 3.76Å; P143-F145 HydrophobicContact CB-CE2 3.63Å; P143-F145 HydrophobicContact CB-CG 4.28Å; P143-F145 HydrophobicContact CB-CZ 3.48Å; P143-F145 VanDerWaalsContact CB-CZ 3.48Å; P143-F145 HydrophobicContact CG-CD2 3.84Å; P143-F145 HydrophobicContact CG-CE1 4.32Å; P143-F145 HydrophobicContact CG-CE2 3.26Å; P143-F145 HydrophobicContact CG-CZ 3.55Å; P143-F145 PolarHBondContact O-N 3.3Å; P143-R153 VanDerWaalsContact O-CZ 3.28Å; P143-R153 PolarHBondContact O-NE 3.14Å; P143-R153 PolarHBondContact O-NH2 3Å; P143-R153 VanDerWaalsContact O-NH2 3.14Å; P143-V179 HydrophobicContact CB-CG1 4.41Å; P143-V179 HydrophobicContact CB-CG2 4.46Å; P143-V182 VanDerWaalsContact CA-CG2 3.45Å; P143-V182 HydrophobicContact CB-CG2 3.44Å; P143-V182 VanDerWaalsContact CB-CG2 3.44Å
144H88.3Confident91.8Very high20 Ų2052.3 Ų52.39%0.09325%0.248CC..  trans42.655.2-174.9-65.9-39.2000114.2D142 K146 K149 H150 W152 R153D142-H144 VanDerWaalsContact C-N 3.33Å; D142-H144 PolarHBondContact O-N 2.79Å; D142-H144 IonicContact OD1-CE1 3.87Å; D142-H144 IonicContact OD1-CG 3.17Å; D142-H144 PolarHBondContact OD1-N 2.88Å; D142-H144 IonicContact OD1-ND1 3.65Å; D142-H144 PolarHBondContact OD1-ND1 2.84Å; D142-H144 IonicContact OD2-CE1 3.2Å; D142-H144 PolarHBondContact OD2-CE1 3.15Å; D142-H144 IonicContact OD2-ND1 3.7Å; D142-H144 PolarHBondContact OD2-ND1 3.26Å; D142-H144 IonicContact OD2-NE2 3.84Å; H144-K146 PolarHBondContact O-N 2.94Å; H144-K149 HydrophobicContact CB-CB 4.02Å; H144-H150 PolarHBondContact O-CD2 2.91Å; H144-W152 WeakPolarHBondContact CD2-CB 3.48Å; H144-W152 PolarHBondContact CD2-O 3.43Å; H144-W152 VanDerWaalsContact CD2-O 3.29Å; H144-W152 AromaticContact CE1-CE3 3.97Å; H144-W152 VanDerWaalsContact NE2-CB 3.35Å; H144-W152 WeakPolarHBondContact NE2-CB 3.4Å; H144-W152 PolarHBondContact NE2-O 3.1Å; H144-R153 HydrophobicContact CB-CG 4.25Å
145F84.6Confident91.7Very high121 Ų12151.6 Ų51.653%0.53124%0.243SC..  trans-51.8-23.2-173-62.9-72.6000117.1P143 K147 V179P143-F145 HydrophobicContact CB-CD1 4.15Å; P143-F145 HydrophobicContact CB-CD2 4.03Å; P143-F145 HydrophobicContact CB-CE1 3.76Å; P143-F145 HydrophobicContact CB-CE2 3.63Å; P143-F145 HydrophobicContact CB-CG 4.28Å; P143-F145 HydrophobicContact CB-CZ 3.48Å; P143-F145 VanDerWaalsContact CB-CZ 3.48Å; P143-F145 HydrophobicContact CG-CD2 3.84Å; P143-F145 HydrophobicContact CG-CE1 4.32Å; P143-F145 HydrophobicContact CG-CE2 3.26Å; P143-F145 HydrophobicContact CG-CZ 3.55Å; P143-F145 PolarHBondContact O-N 3.3Å; F145-K147 PolarHBondContact O-N 3.16Å; F145-V179 HydrophobicContact CE1-CG1 3.6Å; F145-V179 HydrophobicContact CZ-CG1 3.85Å; F145-V179 HydrophobicContact CZ-CG2 4.22Å
146K84.6Confident91.4Very high141 Ų14151.5 Ų51.561%0.61325%0.246SC*.SBendtrans-76.4125.5179.2-64.9-173178.7-171.80108.8H144 T148 K149 H150H144-K146 PolarHBondContact O-N 2.94Å; K146-T148 PolarHBondContact O-N 2.77Å; K146-K149 HydrophobicContact CB-CB 4.45Å; K146-K149 HydrophobicContact CB-CD 4.38Å; K146-K149 HydrophobicContact CB-CG 4.25Å; K146-K149 WeakPolarHBondContact O-CA 3.42Å; K146-K149 WeakPolarHBondContact O-CB 3.49Å; K146-K149 PolarHBondContact O-N 2.85Å; K146-H150 PolarHBondContact O-CD2 2.86Å; K146-H150 VanDerWaalsContact O-CD2 3.27Å; K146-H150 PolarHBondContact O-N 2.88Å
147K82.3Confident91.1Very high182 Ų18255.3 Ų55.379%0.79127%0.271SS*.G310 helixtrans-45.6-42.1176.8-71.5-173.1178.5-178.30113.7F145 K149 H150F145-K147 PolarHBondContact O-N 3.16Å; K147-K149 PolarHBondContact O-N 2.88Å; K147-K149 VanDerWaalsContact O-N 3.12Å; K147-H150 WeakPolarHBondContact O-CB 3.48Å; K147-H150 PolarHBondContact O-N 2.77Å; K147-H150 VanDerWaalsContact O-N 3.09Å
148T87.3Confident90.8Very high116 Ų11660 Ų6071%0.71230%0.299SS*.G310 helixtrans-62.7-17.6178.153.30000114.4K146K146-T148 PolarHBondContact O-N 2.77Å
149K87.1Confident90.7Very high75 Ų7560.3 Ų60.333%0.32630%0.301SS..G310 helixtrans-105.72.7178.4-61.7-172.6170.8-169.30113.4H144 K146 K147 K151 W152H144-K149 HydrophobicContact CB-CB 4.02Å; K146-K149 HydrophobicContact CB-CB 4.45Å; K146-K149 HydrophobicContact CB-CD 4.38Å; K146-K149 HydrophobicContact CB-CG 4.25Å; K146-K149 WeakPolarHBondContact O-CA 3.42Å; K146-K149 WeakPolarHBondContact O-CB 3.49Å; K146-K149 PolarHBondContact O-N 2.85Å; K147-K149 PolarHBondContact O-N 2.88Å; K147-K149 VanDerWaalsContact O-N 3.12Å; K149-K151 PolarHBondContact O-N 3.48Å; K149-W152 HydrophobicContact CB-CD2 4.23Å; K149-W152 HydrophobicContact CB-CE3 3.96Å; K149-W152 HydrophobicContact CB-CZ3 4.45Å; K149-W152 HydrophobicContact CD-CE3 3.77Å; K149-W152 HydrophobicContact CD-CH2 4.23Å; K149-W152 HydrophobicContact CD-CZ3 3.51Å; K149-W152 VanDerWaalsContact CE-CZ3 3.43Å; K149-W152 HydrophobicContact CG-CD2 4.32Å; K149-W152 HydrophobicContact CG-CE3 3.84Å; K149-W152 HydrophobicContact CG-CH2 4.25Å; K149-W152 HydrophobicContact CG-CZ3 3.83Å; K149-W152 VanDerWaalsContact O-CB 3.29Å; K149-W152 WeakPolarHBondContact O-CB 3.49Å; K149-W152 PolarHBondContact O-N 3.26Å
150H86.9Confident90.7Very high36 Ų3659.6 Ų59.617%0.16730%0.298CS..G310 helixtrans-60.5-29.8177.5-73-168000112.4H144 K146 K147 W152 R153 W185H144-H150 PolarHBondContact O-CD2 2.91Å; K146-H150 PolarHBondContact O-CD2 2.86Å; K146-H150 VanDerWaalsContact O-CD2 3.27Å; K146-H150 PolarHBondContact O-N 2.88Å; K147-H150 WeakPolarHBondContact O-CB 3.48Å; K147-H150 PolarHBondContact O-N 2.77Å; K147-H150 VanDerWaalsContact O-N 3.09Å; H150-W152 PolarHBondContact O-N 3.23Å; H150-R153 PolarHBondContact NE2-NH2 3.28Å; H150-R153 WeakPolarHBondContact O-CB 3.49Å; H150-R153 PolarHBondContact O-N 2.88Å; H150-W185 HydrophobicContact CB-CH2 3.59Å; H150-W185 HydrophobicContact CB-CZ2 4.14Å; H150-W185 HydrophobicContact CB-CZ3 4.3Å; H150-W185 AromaticContact CE1-CZ3 3.66Å; H150-W185 AromaticContact CG-CH2 3.66Å; H150-W185 AromaticContact CG-CZ3 3.86Å; H150-W185 AromaticContact ND1-CH2 3.29Å; H150-W185 VanDerWaalsContact ND1-CH2 3.29Å; H150-W185 WeakPolarHBondContact ND1-CH2 3.25Å; H150-W185 AromaticContact ND1-CZ3 3.13Å; H150-W185 WeakPolarHBondContact ND1-CZ3 3.47Å
151K86.1Confident90.8Very high143 Ų14360.9 Ų60.962%0.62231%0.312SS*.G310 helixtrans-61.4-9.5170.665.2173.9179.1-179.90115K149K149-K151 PolarHBondContact O-N 3.48Å
152W90.7Very high90.9Very high46 Ų4662 Ų6217%0.17432%0.315CS..G310 helixtrans-97.6-6.6175.2-58.6-14.8000112.2N19 P20 H144 K149 H150N19-W152 HydrophobicContact CB-CH2 4.47Å; N19-W152 WeakPolarHBondContact OD1-CZ2 3.36Å; P20-W152 HydrophobicContact CG-CB 3.78Å; P20-W152 HydrophobicContact CG-CG 3.98Å; H144-W152 WeakPolarHBondContact CD2-CB 3.48Å; H144-W152 PolarHBondContact CD2-O 3.43Å; H144-W152 VanDerWaalsContact CD2-O 3.29Å; H144-W152 AromaticContact CE1-CE3 3.97Å; H144-W152 VanDerWaalsContact NE2-CB 3.35Å; H144-W152 WeakPolarHBondContact NE2-CB 3.4Å; H144-W152 PolarHBondContact NE2-O 3.1Å; K149-W152 HydrophobicContact CB-CD2 4.23Å; K149-W152 HydrophobicContact CB-CE3 3.96Å; K149-W152 HydrophobicContact CB-CZ3 4.45Å; K149-W152 HydrophobicContact CD-CE3 3.77Å; K149-W152 HydrophobicContact CD-CH2 4.23Å; K149-W152 HydrophobicContact CD-CZ3 3.51Å; K149-W152 VanDerWaalsContact CE-CZ3 3.43Å; K149-W152 HydrophobicContact CG-CD2 4.32Å; K149-W152 HydrophobicContact CG-CE3 3.84Å; K149-W152 HydrophobicContact CG-CH2 4.25Å; K149-W152 HydrophobicContact CG-CZ3 3.83Å; K149-W152 VanDerWaalsContact O-CB 3.29Å; K149-W152 WeakPolarHBondContact O-CB 3.49Å; K149-W152 PolarHBondContact O-N 3.26Å; H150-W152 PolarHBondContact O-N 3.23Å
153R93.4Very high91.2Very high6 Ų659.9 Ų59.92%0.02330%0.304CS..SBendtrans-65.1140.5175-69.2-177.5179.3-170.97.2109P143 H144 H150 V155 E181 W185P143-R153 VanDerWaalsContact O-CZ 3.28Å; P143-R153 PolarHBondContact O-NE 3.14Å; P143-R153 PolarHBondContact O-NH2 3Å; P143-R153 VanDerWaalsContact O-NH2 3.14Å; H144-R153 HydrophobicContact CB-CG 4.25Å; H150-R153 PolarHBondContact NE2-NH2 3.28Å; H150-R153 WeakPolarHBondContact O-CB 3.49Å; H150-R153 PolarHBondContact O-N 2.88Å; R153-V155 PolarHBondContact O-N 3.36Å; R153-E181 IonicContact CZ-OE1 3.66Å; R153-E181 IonicContact NH1-OE1 3.73Å; R153-E181 IonicContact NH2-OE1 3.57Å; R153-E181 PolarHBondContact NH2-OE1 2.87Å; R153-W185 VanDerWaalsContact NH1-CG 3.31Å
154I94.3Very high91.7Very high31 Ų3159 Ų5916%0.15930%0.299CS..SBendtrans-68.7-14-179.1-161.559.9000112.5I62 M121 F138 P141 L159 Y163I62-I154 HydrophobicContact CG2-CD1 3.98Å; I62-I154 HydrophobicContact CG2-CG1 3.99Å; M121-I154 HydrophobicContact CG-CD1 3.4Å; M121-I154 HydrophobicContact SD-CD1 4.25Å; F138-I154 HydrophobicContact CD1-CB 4.46Å; F138-I154 HydrophobicContact CD1-CG1 3.74Å; F138-I154 HydrophobicContact CD1-CG2 3.8Å; F138-I154 HydrophobicContact CE1-CG1 3.63Å; F138-I154 HydrophobicContact CE1-CG2 4.37Å; P141-I154 HydrophobicContact CB-CG2 3.74Å; P141-I154 HydrophobicContact CG-CG2 4.39Å; I154-L159 VanDerWaalsContact O-CD1 3.23Å; I154-L159 WeakPolarHBondContact O-CD1 3.31Å; I154-Y163 WeakPolarHBondContact CD1-OH 3.4Å; I154-Y163 WeakPolarHBondContact CG1-OH 3.27Å; I154-Y163 WeakPolarHBondContact O-CE2 3.43Å; I154-Y163 PolarHBondContact O-OH 3.23Å
155V95.8Very high92.2Very high2 Ų263.5 Ų63.51%0.01232%0.316CS..  trans-110.4116174.1-179.50000109.8R153 L160 W185 M186 H189 F190R153-V155 PolarHBondContact O-N 3.36Å; V155-L160 HydrophobicContact CG1-CD1 4.36Å; V155-L160 HydrophobicContact CG1-CD2 4.24Å; V155-L160 HydrophobicContact CG1-CG 4.38Å; V155-W185 PolarHBondContact O-NE1 2.81Å; V155-M186 HydrophobicContact CB-CG 4.22Å; V155-M186 HydrophobicContact CG2-CB 4.46Å; V155-M186 HydrophobicContact CG2-CG 3.76Å; V155-M186 HydrophobicContact CG2-SD 4.2Å; V155-H189 HydrophobicContact CG1-CB 3.78Å; V155-F190 HydrophobicContact CG1-CD2 4.21Å; V155-F190 HydrophobicContact CG1-CE2 4.06Å; V155-F190 HydrophobicContact CG2-CE2 3.87Å
156S93.6Very high92.8Very high30 Ų3057.7 Ų57.721%0.2129%0.29CS..  trans-150.6160.6173.970.80000109.6T158 L159 L160S156-T158 VanDerWaalsContact C-N 3.31Å; S156-T158 PolarHBondContact O-N 2.92Å; S156-L159 PolarHBondContact O-N 3.1Å; S156-L159 VanDerWaalsContact O-N 3.13Å; S156-L159 WeakPolarHBondContact OG-CG 3.35Å; S156-L159 PolarHBondContact OG-N 3.26Å; S156-L160 WeakPolarHBondContact O-CG 3.36Å; S156-L160 PolarHBondContact O-N 3.31Å
157P91.8Very high93.5Very high81 Ų8151 Ų5153%0.52626%0.261SS..Hα-helixtrans-53.6-43.6-178.8-28.736.4000114.1L160 A161P157-L160 PolarHBondContact O-N 2.94Å; P157-A161 PolarHBondContact O-N 3.48Å
158T92.6Very high94.3Very high100 Ų10046.6 Ų46.661%0.61324%0.24SC*.Hα-helixtrans-64.3-43.9178.4-52.50000112S156 L160 A161 E162S156-T158 VanDerWaalsContact C-N 3.31Å; S156-T158 PolarHBondContact O-N 2.92Å; T158-L160 VanDerWaalsContact C-N 3.33Å; T158-L160 PolarHBondContact O-N 3.35Å; T158-A161 WeakPolarHBondContact O-CB 3.39Å; T158-A161 PolarHBondContact O-N 3.16Å; T158-E162 PolarHBondContact O-N 2.98Å
159L96.9Very high94.8Very high8 Ų845.2 Ų45.24%0.04223%0.227CC..Hα-helixtrans-66.8-35.9179.1-70.4173.5000111.9M121 I154 S156 A161 E162 Y163M121-L159 HydrophobicContact CB-CD1 4.37Å; M121-L159 HydrophobicContact CB-CD2 4.05Å; M121-L159 HydrophobicContact CE-CD1 3.87Å; M121-L159 HydrophobicContact CG-CD1 3.95Å; M121-L159 HydrophobicContact CG-CD2 4.39Å; I154-L159 VanDerWaalsContact O-CD1 3.23Å; I154-L159 WeakPolarHBondContact O-CD1 3.31Å; S156-L159 PolarHBondContact O-N 3.1Å; S156-L159 VanDerWaalsContact O-N 3.13Å; S156-L159 WeakPolarHBondContact OG-CG 3.35Å; S156-L159 PolarHBondContact OG-N 3.26Å; L159-A161 VanDerWaalsContact C-N 3.27Å; L159-A161 PolarHBondContact O-N 2.9Å; L159-E162 WeakPolarHBondContact O-CB 3.2Å; L159-E162 PolarHBondContact O-N 3.46Å; L159-E162 VanDerWaalsContact O-N 3.14Å; L159-Y163 HydrophobicContact CB-CE1 4.23Å; L159-Y163 HydrophobicContact CB-CE2 3.96Å; L159-Y163 WeakPolarHBondContact O-CD1 3.44Å; L159-Y163 WeakPolarHBondContact O-CD2 3.33Å; L159-Y163 PolarHBondContact O-N 3.14Å
160L98.1Very high95.4Very high1 Ų143.3 Ų43.31%0.00523%0.229CC..Hα-helixtrans-61.3-36175.5-70.5176.1000112.3V155 S156 P157 T158 Y163 A164 H189 F190 H193 F196V155-L160 HydrophobicContact CG1-CD1 4.36Å; V155-L160 HydrophobicContact CG1-CD2 4.24Å; V155-L160 HydrophobicContact CG1-CG 4.38Å; S156-L160 WeakPolarHBondContact O-CG 3.36Å; S156-L160 PolarHBondContact O-N 3.31Å; P157-L160 PolarHBondContact O-N 2.94Å; T158-L160 VanDerWaalsContact C-N 3.33Å; T158-L160 PolarHBondContact O-N 3.35Å; L160-Y163 HydrophobicContact CD2-CD2 4.1Å; L160-Y163 PolarHBondContact O-N 3.2Å; L160-A164 WeakPolarHBondContact O-CB 3.44Å; L160-A164 PolarHBondContact O-N 3.32Å; L160-H189 HydrophobicContact CD1-CB 3.89Å; L160-H189 WeakPolarHBondContact CD1-O 3.31Å; L160-F190 HydrophobicContact CD2-CD1 3.51Å; L160-F190 HydrophobicContact CD2-CD2 4.15Å; L160-F190 HydrophobicContact CD2-CE1 3.19Å; L160-F190 HydrophobicContact CD2-CE2 3.88Å; L160-F190 HydrophobicContact CD2-CG 3.97Å; L160-F190 HydrophobicContact CD2-CZ 3.37Å; L160-H193 HydrophobicContact CB-CB 4.46Å; L160-H193 HydrophobicContact CD1-CB 3.9Å; L160-F196 HydrophobicContact CB-CE2 4.27Å; L160-F196 HydrophobicContact CD2-CD2 4.43Å; L160-F196 HydrophobicContact CD2-CE2 4.15Å; L160-F196 WeakPolarHBondContact O-CE2 3.2Å
161A97.1Very high95.9Very high50 Ų5041.8 Ų41.841%0.41322%0.223SC..Hα-helixtrans-64.5-42.2173.700000112P157 T158 L159 Y163 A164 Y165P157-A161 PolarHBondContact O-N 3.48Å; T158-A161 WeakPolarHBondContact O-CB 3.39Å; T158-A161 PolarHBondContact O-N 3.16Å; L159-A161 VanDerWaalsContact C-N 3.27Å; L159-A161 PolarHBondContact O-N 2.9Å; A161-Y163 VanDerWaalsContact C-N 3.34Å; A161-A164 PolarHBondContact O-N 2.65Å; A161-Y165 WeakPolarHBondContact O-CB 3.34Å; A161-Y165 PolarHBondContact O-N 2.96Å
162E97.8Very high96.5Very high47 Ų4736.2 Ų36.222%0.2220%0.199CC..Hα-helixtrans-64.7-37.8174.5-65.5178.8-168.200112.2P125 T158 L159 Y165 T166P125-E162 HydrophobicContact CG-CB 4.01Å; P125-E162 HydrophobicContact CG-CG 3.88Å; T158-E162 PolarHBondContact O-N 2.98Å; L159-E162 WeakPolarHBondContact O-CB 3.2Å; L159-E162 PolarHBondContact O-N 3.46Å; L159-E162 VanDerWaalsContact O-N 3.14Å; E162-Y165 PolarHBondContact O-N 3.26Å; E162-T166 PolarHBondContact O-N 3.45Å; E162-T166 VanDerWaalsContact O-N 3.09Å; E162-T166 PolarHBondContact O-OG1 3.39Å
163Y98.6Very high96.9Very high0 Ų034 Ų340%019%0.191CC..Hα-helixtrans-66.6-44.8176.1-57.6-14.6000110.4L124 M136 F138 I154 L159 L160 A161 Y165 T166 L167L124-Y163 HydrophobicContact CD2-CD1 3.44Å; L124-Y163 VanDerWaalsContact CD2-CD1 3.44Å; L124-Y163 HydrophobicContact CD2-CE1 3.68Å; M136-Y163 HydrophobicContact CE-CD1 3.72Å; M136-Y163 HydrophobicContact CE-CE1 4.28Å; M136-Y163 HydrophobicContact CE-CG 3.94Å; M136-Y163 HydrophobicContact SD-CG 4.43Å; F138-Y163 HydrophobicContact CE1-CD2 4.49Å; F138-Y163 AromaticContact CE1-CE2 3.73Å; F138-Y163 HydrophobicContact CE1-CE2 3.73Å; F138-Y163 AromaticContact CE1-CZ 3.79Å; F138-Y163 HydrophobicContact CE2-CD2 4.37Å; F138-Y163 HydrophobicContact CE2-CE2 4.35Å; F138-Y163 AromaticContact CZ-CD2 3.7Å; F138-Y163 HydrophobicContact CZ-CD2 3.7Å; F138-Y163 HydrophobicContact CZ-CE1 4.29Å; F138-Y163 AromaticContact CZ-CE2 3.38Å; F138-Y163 HydrophobicContact CZ-CE2 3.38Å; F138-Y163 HydrophobicContact CZ-CG 4.29Å; F138-Y163 AromaticContact CZ-CZ 3.7Å; I154-Y163 WeakPolarHBondContact CD1-OH 3.4Å; I154-Y163 WeakPolarHBondContact CG1-OH 3.27Å; I154-Y163 WeakPolarHBondContact O-CE2 3.43Å; I154-Y163 PolarHBondContact O-OH 3.23Å; L159-Y163 HydrophobicContact CB-CE1 4.23Å; L159-Y163 HydrophobicContact CB-CE2 3.96Å; L159-Y163 WeakPolarHBondContact O-CD1 3.44Å; L159-Y163 WeakPolarHBondContact O-CD2 3.33Å; L159-Y163 PolarHBondContact O-N 3.14Å; L160-Y163 HydrophobicContact CD2-CD2 4.1Å; L160-Y163 PolarHBondContact O-N 3.2Å; A161-Y163 VanDerWaalsContact C-N 3.34Å; Y163-Y165 VanDerWaalsContact C-N 3.28Å; Y163-Y165 PolarHBondContact O-N 3.29Å; Y163-T166 PolarHBondContact O-N 3.15Å; Y163-T166 PolarHBondContact O-OG1 3.06Å; Y163-L167 WeakPolarHBondContact O-CB 3.46Å; Y163-L167 PolarHBondContact O-N 3.29Å
164A98.3Very high97.2Very high3 Ų333.7 Ų33.73%0.02519%0.19CC..Hα-helixtrans-65.5-30.117600000113.1L160 A161 L195 F196L160-A164 WeakPolarHBondContact O-CB 3.44Å; L160-A164 PolarHBondContact O-N 3.32Å; A161-A164 PolarHBondContact O-N 2.65Å; A164-L195 HydrophobicContact CB-CB 3.93Å; A164-L195 HydrophobicContact CB-CD1 3.65Å; A164-L195 HydrophobicContact CB-CG 4.42Å; A164-F196 HydrophobicContact CB-CE2 3.86Å; A164-F196 HydrophobicContact CB-CZ 3.92Å
165Y98Very high97.4Very high114 Ų11432.2 Ų32.245%0.44718%0.182SC..Hα-helixtrans-66.5-48.8173.6178.6-96.7000111.2P125 K130 G131 A161 E162 Y163P125-Y165 HydrophobicContact CB-CD1 4.43Å; K130-Y165 CarbonylContact C-O 3.56Å; K130-Y165 VanDerWaalsContact CA-O 3.23Å; K130-Y165 WeakPolarHBondContact CA-O 3.23Å; K130-Y165 HydrophobicContact CB-CD2 4.35Å; K130-Y165 HydrophobicContact CB-CE1 4.19Å; K130-Y165 HydrophobicContact CB-CE2 3.84Å; K130-Y165 HydrophobicContact CD-CD2 4.43Å; K130-Y165 HydrophobicContact CD-CE2 4.11Å; K130-Y165 HydrophobicContact CG-CD2 4.08Å; K130-Y165 HydrophobicContact CG-CE2 3.94Å; K130-Y165 WeakPolarHBondContact CG-O 3.35Å; G131-Y165 PolarHBondContact N-O 3.36Å; A161-Y165 WeakPolarHBondContact O-CB 3.34Å; A161-Y165 PolarHBondContact O-N 2.96Å; E162-Y165 PolarHBondContact O-N 3.26Å; Y163-Y165 VanDerWaalsContact C-N 3.28Å; Y163-Y165 PolarHBondContact O-N 3.29Å
166T98.3Very high97.5Very high0 Ų032.3 Ų32.30%018%0.183CC..Hα-helixtrans-80.5-22.9-175.6540000113.8L124 F128 G131 Q132 L133 E162 Y163L124-T166 HydrophobicContact CG-CG2 4.41Å; F128-T166 HydrophobicContact CB-CG2 3.86Å; G131-T166 CarbonylContact C-O 3.54Å; G131-T166 WeakPolarHBondContact CA-O 3.21Å; Q132-T166 PolarHBondContact N-O 2.85Å; L133-T166 PolarHBondContact N-O 3.23Å; E162-T166 PolarHBondContact O-N 3.45Å; E162-T166 VanDerWaalsContact O-N 3.09Å; E162-T166 PolarHBondContact O-OG1 3.39Å; Y163-T166 PolarHBondContact O-N 3.15Å; Y163-T166 PolarHBondContact O-OG1 3.06Å
167L98.8Very high97.7Very high0 Ų030.9 Ų30.90%017%0.173CC..EExtended strand (participates in β ladder)trans-93.6131.2179.9-17063.1000112L133 M136 Y163 V173 F196 R237L133-L167 HydrophobicContact CB-CD1 3.95Å; L133-L167 WeakPolarHBondContact O-CD1 3.28Å; M136-L167 HydrophobicContact CG-CD1 4.18Å; M136-L167 HydrophobicContact SD-CB 4.25Å; M136-L167 HydrophobicContact SD-CD2 4.36Å; Y163-L167 WeakPolarHBondContact O-CB 3.46Å; Y163-L167 PolarHBondContact O-N 3.29Å; L167-V173 HydrophobicContact CD2-CG2 3.47Å; L167-V173 VanDerWaalsContact CD2-CG2 3.47Å; L167-F196 HydrophobicContact CD2-CE1 4.09Å; L167-R237 HydrophobicContact CB-CG 4.41Å; L167-R237 HydrophobicContact CD2-CB 3.81Å; L167-R237 HydrophobicContact CD2-CG 4.48Å; L167-R237 HydrophobicContact CG-CB 4.01Å; L167-R237 HydrophobicContact CG-CG 4.42Å; L167-R237 PolarHBondContact O-NE 3.04Å
168R98.6Very high97.9Very high90 Ų9030.8 Ų30.834%0.3417%0.168SC..EExtended strand (participates in β ladder)trans-69.3159.817970.5-17267.9159.17.5112.6E58 G131 Q132 L133 G170 G171 R237E58-R168 IonicContact OE2-CZ 2.79Å; E58-R168 VanDerWaalsContact OE2-CZ 3.27Å; E58-R168 IonicContact OE2-NH1 2.97Å; E58-R168 PolarHBondContact OE2-NH1 3.38Å; E58-R168 IonicContact OE2-NH2 3.73Å; E58-R168 PolarHBondContact OE2-NH2 3.43Å; G131-R168 WeakPolarHBondContact O-CB 3.23Å; Q132-R168 PolarHBondContact O-NH2 3.34Å; L133-R168 VanDerWaalsContact O-CG 3.31Å; L133-R168 WeakPolarHBondContact O-CG 3.48Å; L133-R168 PolarHBondContact O-N 2.79Å; L133-R168 PolarHBondContact O-NE 3.32Å; R168-G170 PolarHBondContact O-N 2.87Å; R168-G171 WeakPolarHBondContact O-CA 3.49Å; R168-G171 PolarHBondContact O-N 3.09Å; R168-R237 WeakPolarHBondContact O-CB 3.43Å; R168-R237 WeakPolarHBondContact O-CD 3.38Å
169I98.7Very high98Very high86 Ų8627.3 Ų27.344%0.44115%0.146SC..EExtended strand (participates in β ladder)trans-55.2130.5167.8-35.7-148.6000109.2G171 E239I169-G171 PolarHBondContact O-N 3.37Å; I169-E239 HydrophobicContact CD1-CG 3.38Å; I169-E239 HydrophobicContact CG2-CG 3.79Å
170G98.5Very high98Very high35 Ų3532 Ų3236%0.36117%0.168SC..EExtended strand (participates in β ladder)trans80.7-7.8-174.200000114.7R168 R237R168-G170 PolarHBondContact O-N 2.87Å; G170-R237 PolarHBondContact N-O 3.03Å
171G98.7Very high97.9Very high4 Ų436.1 Ų36.14%0.04119%0.187CC..EExtended strand (participates in β ladder)trans-65153.2175.300000112.3S134 R168 I169 Q236 R237S134-G171 CarbonylContact O-C 3.56Å; S134-G171 WeakPolarHBondContact O-CA 3.46Å; R168-G171 WeakPolarHBondContact O-CA 3.49Å; R168-G171 PolarHBondContact O-N 3.09Å; I169-G171 PolarHBondContact O-N 3.37Å; G171-Q236 CarbonylContact O-C 3.53Å; G171-Q236 WeakPolarHBondContact O-CA 3.34Å; G171-R237 PolarHBondContact O-N 2.92Å
172L98.8Very high97.9Very high26 Ų2634 Ų3414%0.13617%0.169CC..EExtended strand (participates in β ladder)trans-114.3138.6-172.2-64.6178.9000112.5S134 K135 M136 Y174 V199 V234 F235 Q236S134-L172 PolarHBondContact O-N 3.07Å; K135-L172 CarbonylContact C-O 3.56Å; K135-L172 VanDerWaalsContact CA-O 3.29Å; K135-L172 WeakPolarHBondContact CA-O 3.49Å; M136-L172 PolarHBondContact N-O 2.88Å; L172-Y174 HydrophobicContact CB-CD2 4.33Å; L172-Y174 HydrophobicContact CB-CE2 3.6Å; L172-Y174 HydrophobicContact CD1-CE2 4.47Å; L172-Y174 VanDerWaalsContact CD1-OH 3.3Å; L172-Y174 WeakPolarHBondContact CD1-OH 3.3Å; L172-V199 HydrophobicContact CD2-CG2 3.98Å; L172-V234 HydrophobicContact CB-CG1 4.33Å; L172-V234 HydrophobicContact CD2-CG1 4.19Å; L172-F235 CarbonylContact C-O 3.59Å; L172-F235 WeakPolarHBondContact CA-O 3.35Å; L172-Q236 HydrophobicContact CD2-CB 3.81Å; L172-Q236 HydrophobicContact CD2-CG 4.04Å
173V98.9Very high97.9Very high0 Ų032.8 Ų32.80%016%0.164CC..EExtended strand (participates in β ladder)trans-108.3119.5169.5-177.80000108.9M136 F138 L167 T175 F190 F196 V234 F235M136-V173 HydrophobicContact CB-CG2 4.37Å; M136-V173 CarbonylContact O-C 3.59Å; M136-V173 WeakPolarHBondContact O-CA 3.37Å; F138-V173 HydrophobicContact CD2-CG1 3.53Å; F138-V173 HydrophobicContact CE2-CG1 3.48Å; F138-V173 VanDerWaalsContact CE2-CG1 3.48Å; L167-V173 HydrophobicContact CD2-CG2 3.47Å; L167-V173 VanDerWaalsContact CD2-CG2 3.47Å; V173-T175 HydrophobicContact CG1-CG2 4.05Å; V173-F190 HydrophobicContact CB-CE1 4.22Å; V173-F190 HydrophobicContact CB-CZ 4.34Å; V173-F190 HydrophobicContact CG1-CE1 4.02Å; V173-F190 HydrophobicContact CG1-CE2 4.4Å; V173-F190 HydrophobicContact CG1-CZ 3.64Å; V173-F190 HydrophobicContact CG2-CE1 4.14Å; V173-F196 HydrophobicContact CG2-CD1 4.47Å; V173-F196 HydrophobicContact CG2-CE1 3.79Å; V173-F196 HydrophobicContact CG2-CZ 4.47Å; V173-V234 CarbonylContact O-C 3.55Å; V173-V234 VanDerWaalsContact O-CA 3.28Å; V173-V234 WeakPolarHBondContact O-CA 3.26Å; V173-F235 HydrophobicContact CB-CB 4.41Å; V173-F235 PolarHBondContact N-O 3.23Å; V173-F235 PolarHBondContact O-N 3.24Å
174Y98.8Very high97.9Very high0 Ų037.7 Ų37.70%019%0.189CC..EExtended strand (participates in β ladder)trans-101.8123.6177.8-58.9-97.6000109.6K135 M136 F137 F138 L172 D207 I209 I210 L213 V234K135-Y174 HydrophobicContact CB-CE2 4.12Å; K135-Y174 HydrophobicContact CD-CE2 3.84Å; K135-Y174 HydrophobicContact CG-CE2 4.01Å; K135-Y174 PolarHBondContact NZ-OH 3.41Å; M136-Y174 PolarHBondContact O-N 3.27Å; F137-Y174 AromaticContact CD1-CD2 3.64Å; F137-Y174 HydrophobicContact CD1-CD2 3.64Å; F137-Y174 HydrophobicContact CD1-CE2 4.49Å; F137-Y174 AromaticContact CD1-CG 3.84Å; F137-Y174 HydrophobicContact CD1-CG 3.84Å; F137-Y174 AromaticContact CE1-CD2 3.29Å; F137-Y174 HydrophobicContact CE1-CD2 3.29Å; F137-Y174 AromaticContact CE1-CE2 3.73Å; F137-Y174 HydrophobicContact CE1-CE2 3.73Å; F137-Y174 AromaticContact CE1-CG 3.76Å; F137-Y174 HydrophobicContact CE1-CG 3.76Å; F137-Y174 HydrophobicContact CZ-CD2 4.08Å; F137-Y174 HydrophobicContact CZ-CE2 4.2Å; F138-Y174 PolarHBondContact N-O 3.35Å; L172-Y174 HydrophobicContact CB-CD2 4.33Å; L172-Y174 HydrophobicContact CB-CE2 3.6Å; L172-Y174 HydrophobicContact CD1-CE2 4.47Å; L172-Y174 VanDerWaalsContact CD1-OH 3.3Å; L172-Y174 WeakPolarHBondContact CD1-OH 3.3Å; Y174-D207 WeakPolarHBondContact CE1-OD2 3.25Å; Y174-D207 VanDerWaalsContact CZ-OD2 3.29Å; Y174-D207 PolarHBondContact OH-OD2 2.94Å; Y174-I209 HydrophobicContact CE1-CB 4.45Å; Y174-I209 HydrophobicContact CE1-CG2 4.45Å; Y174-I210 HydrophobicContact CD1-CD1 4.02Å; Y174-I210 HydrophobicContact CE1-CD1 3.96Å; Y174-L213 HydrophobicContact CD1-CD1 3.95Å; Y174-L213 HydrophobicContact CG-CD1 4.4Å; Y174-V234 HydrophobicContact CD1-CG1 4.24Å; Y174-V234 HydrophobicContact CD1-CG2 3.78Å; Y174-V234 HydrophobicContact CE1-CG1 4.29Å; Y174-V234 HydrophobicContact CE1-CG2 4.28Å
175T98.6Very high97.8Very high0 Ų040.3 Ų40.30%020%0.198CC..EExtended strand (participates in β ladder)trans-122.3131.2177.172.10000110.1F138 V173 M186 F190 L232 A233 F235F138-T175 HydrophobicContact CB-CG2 4.33Å; F138-T175 HydrophobicContact CD2-CG2 4.37Å; F138-T175 WeakPolarHBondContact O-CA 3.32Å; V173-T175 HydrophobicContact CG1-CG2 4.05Å; T175-M186 HydrophobicContact CG2-SD 4.11Å; T175-F190 HydrophobicContact CG2-CE2 4.08Å; T175-L232 WeakPolarHBondContact O-CA 3.35Å; T175-L232 WeakPolarHBondContact O-CD1 3.34Å; T175-A233 PolarHBondContact N-O 3.41Å; T175-A233 PolarHBondContact O-N 2.91Å; T175-A233 PolarHBondContact OG1-O 3.31Å; T175-F235 HydrophobicContact CG2-CD2 4.37Å; T175-F235 HydrophobicContact CG2-CE2 4.2Å
176I98Very high97.8Very high4 Ų435 Ų352%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-140.3141.5172.1-164.3173.9000109.8F138 L139 F140 L213 T230 Y231 L232F138-I176 PolarHBondContact O-N 3.2Å; F138-I176 VanDerWaalsContact O-N 3.16Å; L139-I176 HydrophobicContact CB-CG2 3.85Å; L139-I176 HydrophobicContact CD2-CB 4.44Å; L139-I176 HydrophobicContact CD2-CG2 3.49Å; L139-I176 VanDerWaalsContact CD2-CG2 3.49Å; L139-I176 HydrophobicContact CG-CG2 4.14Å; F140-I176 WeakPolarHBondContact CA-O 3.5Å; F140-I176 HydrophobicContact CD2-CG2 4.15Å; F140-I176 HydrophobicContact CE2-CG2 3.77Å; F140-I176 HydrophobicContact CZ-CD1 4.33Å; F140-I176 HydrophobicContact CZ-CG1 4.39Å; F140-I176 HydrophobicContact CZ-CG2 4.09Å; F140-I176 PolarHBondContact N-O 3.46Å; I176-L213 HydrophobicContact CD1-CB 4.09Å; I176-T230 HydrophobicContact CD1-CG2 4.38Å; I176-Y231 WeakPolarHBondContact CA-O 3.29Å; I176-L232 HydrophobicContact CB-CD1 4.45Å
177T97.7Very high97.8Very high0 Ų036 Ų360%018%0.184CC..EExtended strand (participates in β ladder)trans-153.1156.8176.2-178.20000110.5V179 V182 H183 M186 T230 Y231T177-V179 VanDerWaalsContact C-N 3.35Å; T177-V179 WeakPolarHBondContact CG2-O 3.17Å; T177-V179 PolarHBondContact OG1-N 3.28Å; T177-V179 VanDerWaalsContact OG1-N 3.12Å; T177-V182 HydrophobicContact CG2-CB 4.13Å; T177-V182 HydrophobicContact CG2-CG1 4.24Å; T177-H183 HydrophobicContact CG2-CB 3.71Å; T177-M186 HydrophobicContact CG2-CE 3.85Å; T177-T230 CarbonylContact O-C 3.18Å; T177-T230 WeakPolarHBondContact O-CA 3.48Å; T177-Y231 PolarHBondContact N-O 3.29Å; T177-Y231 VanDerWaalsContact N-O 3.1Å; T177-Y231 WeakPolarHBondContact O-CD2 3.42Å; T177-Y231 PolarHBondContact O-N 3.4Å
178D96.1Very high97.8Very high79 Ų7941.3 Ų41.342%0.42221%0.207SC..SBendtrans-90.1-0.5169.560-35.3000113F140 V223 K229F140-D178 HydrophobicContact CD1-CB 4.46Å; F140-D178 HydrophobicContact CE1-CB 4.38Å; D178-V223 HydrophobicContact CB-CG1 4.09Å; D178-V223 HydrophobicContact CB-CG2 3.59Å; D178-K229 WeakPolarHBondContact CA-O 3.33Å
179V96.1Very high97.8Very high26 Ų2638.1 Ų38.116%0.15820%0.196CC..  trans-111109-177.9-175.30000110.3P143 F145 T177 E181 V182 H183P143-V179 HydrophobicContact CB-CG1 4.41Å; P143-V179 HydrophobicContact CB-CG2 4.46Å; F145-V179 HydrophobicContact CE1-CG1 3.6Å; F145-V179 HydrophobicContact CZ-CG1 3.85Å; F145-V179 HydrophobicContact CZ-CG2 4.22Å; T177-V179 VanDerWaalsContact C-N 3.35Å; T177-V179 WeakPolarHBondContact CG2-O 3.17Å; T177-V179 PolarHBondContact OG1-N 3.28Å; T177-V179 VanDerWaalsContact OG1-N 3.12Å; V179-E181 VanDerWaalsContact C-N 3.3Å; V179-E181 HydrophobicContact CG1-CB 4.29Å; V179-E181 PolarHBondContact O-N 2.99Å; V179-V182 HydrophobicContact CB-CB 4.08Å; V179-V182 HydrophobicContact CB-CG2 3.79Å; V179-V182 HydrophobicContact CG1-CB 4.28Å; V179-V182 HydrophobicContact CG1-CG2 3.69Å; V179-V182 WeakPolarHBondContact O-CB 3.48Å; V179-V182 PolarHBondContact O-N 3Å; V179-H183 PolarHBondContact O-N 3.32Å
180E96.6Very high97.7Very high108 Ų10834 Ų3451%0.50518%0.175SC..Hα-helixtrans-56.4-41.1-178.1-172.5172.3-150.100112.9V182 H183 L184 Y231E180-V182 VanDerWaalsContact C-N 3.26Å; E180-V182 PolarHBondContact O-N 3.44Å; E180-H183 WeakPolarHBondContact O-CB 3.05Å; E180-H183 PolarHBondContact O-N 3.12Å; E180-H183 VanDerWaalsContact O-N 3.12Å; E180-L184 HydrophobicContact CG-CD1 4.18Å; E180-L184 HydrophobicContact CG-CG 4.36Å; E180-L184 WeakPolarHBondContact O-CG 3.29Å; E180-L184 PolarHBondContact O-N 3.01Å; E180-Y231 HydrophobicContact CB-CD2 4.4Å; E180-Y231 HydrophobicContact CB-CE1 4.16Å; E180-Y231 HydrophobicContact CB-CE2 3.82Å; E180-Y231 HydrophobicContact CG-CE1 4.04Å
181E96Very high97.7Very high87 Ų8735.7 Ų35.741%0.40718%0.181SC..Hα-helixtrans-59.8-37.3177-167-156.4136.300112.3R153 V179 W185R153-E181 IonicContact CZ-OE1 3.66Å; R153-E181 IonicContact NH1-OE1 3.73Å; R153-E181 IonicContact NH2-OE1 3.57Å; R153-E181 PolarHBondContact NH2-OE1 2.87Å; V179-E181 VanDerWaalsContact C-N 3.3Å; V179-E181 HydrophobicContact CG1-CB 4.29Å; V179-E181 PolarHBondContact O-N 2.99Å; E181-W185 WeakPolarHBondContact O-CB 3.49Å; E181-W185 PolarHBondContact O-N 3.27Å
182V96.4Very high97.6Very high6 Ų641.4 Ų41.44%0.03621%0.206CC..Hα-helixtrans-71.4-40.8176.7178.70000110P141 P143 T177 V179 E180 W185 M186P141-V182 HydrophobicContact CG-CG1 4.11Å; P143-V182 VanDerWaalsContact CA-CG2 3.45Å; P143-V182 HydrophobicContact CB-CG2 3.44Å; P143-V182 VanDerWaalsContact CB-CG2 3.44Å; T177-V182 HydrophobicContact CG2-CB 4.13Å; T177-V182 HydrophobicContact CG2-CG1 4.24Å; V179-V182 HydrophobicContact CB-CB 4.08Å; V179-V182 HydrophobicContact CB-CG2 3.79Å; V179-V182 HydrophobicContact CG1-CB 4.28Å; V179-V182 HydrophobicContact CG1-CG2 3.69Å; V179-V182 WeakPolarHBondContact O-CB 3.48Å; V179-V182 PolarHBondContact O-N 3Å; E180-V182 VanDerWaalsContact C-N 3.26Å; E180-V182 PolarHBondContact O-N 3.44Å; V182-W185 WeakPolarHBondContact O-CB 3.25Å; V182-W185 PolarHBondContact O-N 3.12Å; V182-M186 HydrophobicContact CG1-CE 4.15Å; V182-M186 HydrophobicContact CG1-CG 4.44Å; V182-M186 HydrophobicContact CG1-SD 4.33Å; V182-M186 VanDerWaalsContact O-CG 3.31Å; V182-M186 WeakPolarHBondContact O-CG 3.37Å; V182-M186 PolarHBondContact O-N 3.48Å
183H98Very high97.6Very high21 Ų2141.4 Ų41.410%0.09721%0.206CC..Hα-helixtrans-58.4-52.4174.8171.478000111.5T177 V179 E180 W185 M186 V187 Y231 L232T177-H183 HydrophobicContact CG2-CB 3.71Å; V179-H183 PolarHBondContact O-N 3.32Å; E180-H183 WeakPolarHBondContact O-CB 3.05Å; E180-H183 PolarHBondContact O-N 3.12Å; E180-H183 VanDerWaalsContact O-N 3.12Å; H183-W185 VanDerWaalsContact C-N 3.26Å; H183-W185 PolarHBondContact O-N 3.12Å; H183-M186 PolarHBondContact O-N 3.02Å; H183-M186 VanDerWaalsContact O-N 3.12Å; H183-V187 WeakPolarHBondContact O-CG2 3.32Å; H183-V187 PolarHBondContact O-N 3.47Å; H183-Y231 HydrophobicContact CB-CG 4.15Å; H183-Y231 VanDerWaalsContact CG-CB 3.45Å; H183-L232 PolarHBondContact CE1-O 3.27Å
184L97.8Very high97.5Very high102 Ų10245.2 Ų45.253%0.53423%0.23SC..Hα-helixtrans-60.2-37.7178-66.6175.3000111.7E180 K188E180-L184 HydrophobicContact CG-CD1 4.18Å; E180-L184 HydrophobicContact CG-CG 4.36Å; E180-L184 WeakPolarHBondContact O-CG 3.29Å; E180-L184 PolarHBondContact O-N 3.01Å; L184-K188 VanDerWaalsContact O-CB 3.25Å; L184-K188 WeakPolarHBondContact O-CB 3.39Å; L184-K188 PolarHBondContact O-N 2.91Å
185W97.1Very high97.5Very high58 Ų5846.6 Ų46.622%0.2224%0.238CC..Hα-helixtrans-61.1-49.2173.4-178.4-73.4000112H150 R153 V155 E181 V182 H183 K188 H189H150-W185 HydrophobicContact CB-CH2 3.59Å; H150-W185 HydrophobicContact CB-CZ2 4.14Å; H150-W185 HydrophobicContact CB-CZ3 4.3Å; H150-W185 AromaticContact CE1-CZ3 3.66Å; H150-W185 AromaticContact CG-CH2 3.66Å; H150-W185 AromaticContact CG-CZ3 3.86Å; H150-W185 AromaticContact ND1-CH2 3.29Å; H150-W185 VanDerWaalsContact ND1-CH2 3.29Å; H150-W185 WeakPolarHBondContact ND1-CH2 3.25Å; H150-W185 AromaticContact ND1-CZ3 3.13Å; H150-W185 WeakPolarHBondContact ND1-CZ3 3.47Å; R153-W185 VanDerWaalsContact NH1-CG 3.31Å; V155-W185 PolarHBondContact O-NE1 2.81Å; E181-W185 WeakPolarHBondContact O-CB 3.49Å; E181-W185 PolarHBondContact O-N 3.27Å; V182-W185 WeakPolarHBondContact O-CB 3.25Å; V182-W185 PolarHBondContact O-N 3.12Å; H183-W185 VanDerWaalsContact C-N 3.26Å; H183-W185 PolarHBondContact O-N 3.12Å; W185-K188 PolarHBondContact O-N 2.85Å; W185-H189 AromaticContact CD1-CE1 3.74Å; W185-H189 AromaticContact CD1-ND1 3.43Å; W185-H189 AromaticContact CD2-CE1 3.52Å; W185-H189 AromaticContact CD2-ND1 3.95Å; W185-H189 AromaticContact CE2-CE1 3.22Å; W185-H189 AromaticContact CE2-ND1 3.76Å; W185-H189 AromaticContact CE2-NE2 3.96Å; W185-H189 AromaticContact CG-CE1 3.87Å; W185-H189 AromaticContact CG-ND1 3.79Å; W185-H189 AromaticContact CZ2-CE1 3.64Å; W185-H189 AromaticContact CZ2-NE2 3.99Å; W185-H189 AromaticContact NE1-CE1 3.34Å; W185-H189 PolarHBondContact NE1-CE1 3.28Å; W185-H189 VanDerWaalsContact NE1-CE1 3.34Å; W185-H189 AromaticContact NE1-ND1 3.39Å; W185-H189 PolarHBondContact NE1-ND1 2.99Å; W185-H189 PolarHBondContact O-N 3.32Å; W185-H189 VanDerWaalsContact O-N 3.16Å; W185-H189 PolarHBondContact O-ND1 2.79Å
186M98.1Very high97.5Very high2 Ų247 Ų471%0.0124%0.24CC..Hα-helixtrans-62.6-49.8179.4-66-173.5-61.400110.5P141 V155 T175 T177 V182 H183 K188 H189 F190P141-M186 HydrophobicContact CG-SD 4.04Å; V155-M186 HydrophobicContact CB-CG 4.22Å; V155-M186 HydrophobicContact CG2-CB 4.46Å; V155-M186 HydrophobicContact CG2-CG 3.76Å; V155-M186 HydrophobicContact CG2-SD 4.2Å; T175-M186 HydrophobicContact CG2-SD 4.11Å; T177-M186 HydrophobicContact CG2-CE 3.85Å; V182-M186 HydrophobicContact CG1-CE 4.15Å; V182-M186 HydrophobicContact CG1-CG 4.44Å; V182-M186 HydrophobicContact CG1-SD 4.33Å; V182-M186 VanDerWaalsContact O-CG 3.31Å; V182-M186 WeakPolarHBondContact O-CG 3.37Å; V182-M186 PolarHBondContact O-N 3.48Å; H183-M186 PolarHBondContact O-N 3.02Å; H183-M186 VanDerWaalsContact O-N 3.12Å; M186-K188 VanDerWaalsContact C-N 3.33Å; M186-K188 PolarHBondContact O-N 3.02Å; M186-H189 PolarHBondContact O-N 2.79Å; M186-F190 HydrophobicContact CB-CD2 4.44Å; M186-F190 WeakPolarHBondContact O-CB 3.47Å; M186-F190 VanDerWaalsContact O-CD2 3.32Å; M186-F190 WeakPolarHBondContact O-CD2 3.21Å; M186-F190 PolarHBondContact O-N 3.27Å
187V98.3Very high97.5Very high22 Ų2248.7 Ų48.713%0.13325%0.254CS..Hα-helixtrans-55.5-47.6178.3172.20000111.6H183 S191 A233 F235H183-V187 WeakPolarHBondContact O-CG2 3.32Å; H183-V187 PolarHBondContact O-N 3.47Å; V187-S191 VanDerWaalsContact O-CB 3.23Å; V187-S191 WeakPolarHBondContact O-CB 3.32Å; V187-S191 PolarHBondContact O-N 2.84Å; V187-S191 PolarHBondContact O-OG 2.97Å; V187-A233 HydrophobicContact CG2-CB 3.89Å; V187-F235 HydrophobicContact CB-CZ 4.44Å; V187-F235 HydrophobicContact CG2-CZ 4.1Å
188K97.8Very high97.5Very high112 Ų11254.3 Ų54.349%0.48728%0.275SS..Hα-helixtrans-55.6-56.9177.9-179.5-172.1173.4-167.70111.4L184 W185 M186 F190 S191 E192L184-K188 VanDerWaalsContact O-CB 3.25Å; L184-K188 WeakPolarHBondContact O-CB 3.39Å; L184-K188 PolarHBondContact O-N 2.91Å; W185-K188 PolarHBondContact O-N 2.85Å; M186-K188 VanDerWaalsContact C-N 3.33Å; M186-K188 PolarHBondContact O-N 3.02Å; K188-F190 PolarHBondContact O-N 3.4Å; K188-S191 PolarHBondContact O-N 3.28Å; K188-E192 VanDerWaalsContact CE-CD 3.46Å; K188-E192 WeakPolarHBondContact CE-OE1 3.36Å; K188-E192 WeakPolarHBondContact CE-OE2 3.24Å; K188-E192 HydrophobicContact CG-CG 4.47Å; K188-E192 WeakPolarHBondContact CG-OE1 3.41Å; K188-E192 IonicContact NZ-OE1 2.77Å; K188-E192 WeakPolarHBondContact O-CB 3.43Å; K188-E192 VanDerWaalsContact O-CG 3.32Å; K188-E192 WeakPolarHBondContact O-CG 3.17Å; K188-E192 PolarHBondContact O-N 3.49Å
189H98.2Very high97.6Very high23 Ų2351.5 Ų51.511%0.10626%0.26CS..Hα-helixtrans-69.7-37-172-68.485.6000112.7V155 L160 W185 M186 H193V155-H189 HydrophobicContact CG1-CB 3.78Å; L160-H189 HydrophobicContact CD1-CB 3.89Å; L160-H189 WeakPolarHBondContact CD1-O 3.31Å; W185-H189 AromaticContact CD1-CE1 3.74Å; W185-H189 AromaticContact CD1-ND1 3.43Å; W185-H189 AromaticContact CD2-CE1 3.52Å; W185-H189 AromaticContact CD2-ND1 3.95Å; W185-H189 AromaticContact CE2-CE1 3.22Å; W185-H189 AromaticContact CE2-ND1 3.76Å; W185-H189 AromaticContact CE2-NE2 3.96Å; W185-H189 AromaticContact CG-CE1 3.87Å; W185-H189 AromaticContact CG-ND1 3.79Å; W185-H189 AromaticContact CZ2-CE1 3.64Å; W185-H189 AromaticContact CZ2-NE2 3.99Å; W185-H189 AromaticContact NE1-CE1 3.34Å; W185-H189 PolarHBondContact NE1-CE1 3.28Å; W185-H189 VanDerWaalsContact NE1-CE1 3.34Å; W185-H189 AromaticContact NE1-ND1 3.39Å; W185-H189 PolarHBondContact NE1-ND1 2.99Å; W185-H189 PolarHBondContact O-N 3.32Å; W185-H189 VanDerWaalsContact O-N 3.16Å; W185-H189 PolarHBondContact O-ND1 2.79Å; M186-H189 PolarHBondContact O-N 2.79Å; H189-H193 PolarHBondContact O-N 2.96Å
190F98.4Very high97.7Very high0 Ų052.8 Ų52.80%027%0.269CS..Hα-helixtrans-65-41.8173.2-86.3-77.4000111.6V155 L160 V173 T175 M186 K188 E192 H193 F196 F235V155-F190 HydrophobicContact CG1-CD2 4.21Å; V155-F190 HydrophobicContact CG1-CE2 4.06Å; V155-F190 HydrophobicContact CG2-CE2 3.87Å; L160-F190 HydrophobicContact CD2-CD1 3.51Å; L160-F190 HydrophobicContact CD2-CD2 4.15Å; L160-F190 HydrophobicContact CD2-CE1 3.19Å; L160-F190 HydrophobicContact CD2-CE2 3.88Å; L160-F190 HydrophobicContact CD2-CG 3.97Å; L160-F190 HydrophobicContact CD2-CZ 3.37Å; V173-F190 HydrophobicContact CB-CE1 4.22Å; V173-F190 HydrophobicContact CB-CZ 4.34Å; V173-F190 HydrophobicContact CG1-CE1 4.02Å; V173-F190 HydrophobicContact CG1-CE2 4.4Å; V173-F190 HydrophobicContact CG1-CZ 3.64Å; V173-F190 HydrophobicContact CG2-CE1 4.14Å; T175-F190 HydrophobicContact CG2-CE2 4.08Å; M186-F190 HydrophobicContact CB-CD2 4.44Å; M186-F190 WeakPolarHBondContact O-CB 3.47Å; M186-F190 VanDerWaalsContact O-CD2 3.32Å; M186-F190 WeakPolarHBondContact O-CD2 3.21Å; M186-F190 PolarHBondContact O-N 3.27Å; K188-F190 PolarHBondContact O-N 3.4Å; F190-E192 VanDerWaalsContact C-N 3.31Å; F190-E192 PolarHBondContact O-N 3.27Å; F190-H193 PolarHBondContact O-N 3.33Å; F190-F196 HydrophobicContact CD1-CB 4.05Å; F190-F196 HydrophobicContact CD1-CD1 4.06Å; F190-F196 AromaticContact CD1-CD2 3.87Å; F190-F196 HydrophobicContact CD1-CD2 3.87Å; F190-F196 HydrophobicContact CD1-CE1 4.49Å; F190-F196 HydrophobicContact CD1-CE2 4.33Å; F190-F196 AromaticContact CD1-CG 3.73Å; F190-F196 HydrophobicContact CD1-CG 3.73Å; F190-F196 HydrophobicContact CE1-CD1 4.16Å; F190-F196 HydrophobicContact CE1-CD2 4.16Å; F190-F196 HydrophobicContact CE1-CE1 4.15Å; F190-F196 HydrophobicContact CE1-CE2 4.16Å; F190-F196 HydrophobicContact CE1-CG 4.17Å; F190-F196 HydrophobicContact CE1-CZ 4.16Å; F190-F235 HydrophobicContact CB-CD1 3.46Å; F190-F235 VanDerWaalsContact CB-CD1 3.46Å; F190-F235 HydrophobicContact CB-CD2 3.94Å; F190-F235 HydrophobicContact CB-CE1 3.43Å; F190-F235 VanDerWaalsContact CB-CE1 3.43Å; F190-F235 HydrophobicContact CB-CE2 3.93Å; F190-F235 HydrophobicContact CB-CG 3.73Å; F190-F235 HydrophobicContact CB-CZ 3.7Å; F190-F235 HydrophobicContact CD1-CB 4.02Å; F190-F235 HydrophobicContact CD1-CD1 4.38Å; F190-F235 AromaticContact CD1-CD2 3.94Å; F190-F235 HydrophobicContact CD1-CD2 3.94Å; F190-F235 AromaticContact CD1-CG 3.84Å; F190-F235 HydrophobicContact CD1-CG 3.84Å; F190-F235 AromaticContact CD2-CD2 3.77Å; F190-F235 HydrophobicContact CD2-CD2 3.77Å; F190-F235 AromaticContact CD2-CE2 3.69Å; F190-F235 HydrophobicContact CD2-CE2 3.69Å; F190-F235 HydrophobicContact CD2-CG 4.36Å; F190-F235 HydrophobicContact CD2-CZ 4.21Å; F190-F235 HydrophobicContact CE1-CD2 4.41Å; F190-F235 HydrophobicContact CE2-CD2 4.26Å; F190-F235 HydrophobicContact CE2-CE2 4.38Å; F190-F235 HydrophobicContact CG-CB 4.42Å; F190-F235 HydrophobicContact CG-CD1 4.02Å; F190-F235 AromaticContact CG-CD2 3.62Å; F190-F235 HydrophobicContact CG-CD2 3.62Å; F190-F235 HydrophobicContact CG-CE1 4.21Å; F190-F235 AromaticContact CG-CE2 3.83Å; F190-F235 HydrophobicContact CG-CE2 3.83Å; F190-F235 AromaticContact CG-CG 3.73Å; F190-F235 HydrophobicContact CG-CG 3.73Å; F190-F235 HydrophobicContact CG-CZ 4.14Å
191S97.4Very high97.5Very high69 Ų6954.5 Ų54.548%0.48328%0.277SS..Hα-helixtrans-70.6-26.6-179.8-51.60000113.1V187 K188V187-S191 VanDerWaalsContact O-CB 3.23Å; V187-S191 WeakPolarHBondContact O-CB 3.32Å; V187-S191 PolarHBondContact O-N 2.84Å; V187-S191 PolarHBondContact O-OG 2.97Å; K188-S191 PolarHBondContact O-N 3.28Å
192E97.3Very high97.5Very high124 Ų12456.7 Ų56.758%0.57929%0.288SS*.Hα-helixtrans-81.2-15.5175.8-73.8173.7170.500112.9K188 F190K188-E192 VanDerWaalsContact CE-CD 3.46Å; K188-E192 WeakPolarHBondContact CE-OE1 3.36Å; K188-E192 WeakPolarHBondContact CE-OE2 3.24Å; K188-E192 HydrophobicContact CG-CG 4.47Å; K188-E192 WeakPolarHBondContact CG-OE1 3.41Å; K188-E192 IonicContact NZ-OE1 2.77Å; K188-E192 WeakPolarHBondContact O-CB 3.43Å; K188-E192 VanDerWaalsContact O-CG 3.32Å; K188-E192 WeakPolarHBondContact O-CG 3.17Å; K188-E192 PolarHBondContact O-N 3.49Å; F190-E192 VanDerWaalsContact C-N 3.31Å; F190-E192 PolarHBondContact O-N 3.27Å
193H97.8Very high97.4Very high27 Ų2761.8 Ų61.813%0.12532%0.315CS..SBendtrans-89.9126.1-177.4-169.3-78.8000111L160 H189 F190 L195 F196L160-H193 HydrophobicContact CB-CB 4.46Å; L160-H193 HydrophobicContact CD1-CB 3.9Å; H189-H193 PolarHBondContact O-N 2.96Å; F190-H193 PolarHBondContact O-N 3.33Å; H193-L195 PolarHBondContact ND1-N 3.3Å; H193-L195 PolarHBondContact O-N 3.14Å; H193-F196 HydrophobicContact CB-CD2 4.22Å; H193-F196 AromaticContact ND1-CD2 3.59Å; H193-F196 PolarHBondContact O-N 3.25Å; H193-F196 VanDerWaalsContact O-N 3.15Å
194P97.5Very high97.3Very high79 Ų7961.6 Ų61.651%0.51331%0.314SS..THydrogen-bonded Turntrans-65.6-20.5-168.525.5-35.5000114.5I238P194-I238 WeakPolarHBondContact O-CD1 3.36Å
195L98.4Very high97Very high30 Ų3062 Ų6216%0.15732%0.321CS..THydrogen-bonded Turntrans-92.27.2-178.1-54.1-176.8000114.1A164 H193 R237 I238 D240A164-L195 HydrophobicContact CB-CB 3.93Å; A164-L195 HydrophobicContact CB-CD1 3.65Å; A164-L195 HydrophobicContact CB-CG 4.42Å; H193-L195 PolarHBondContact ND1-N 3.3Å; H193-L195 PolarHBondContact O-N 3.14Å; L195-R237 WeakPolarHBondContact O-CA 3.48Å; L195-I238 PolarHBondContact O-N 3.09Å; L195-D240 HydrophobicContact CD2-CB 3.73Å
196F98.6Very high96.8Very high9 Ų966.5 Ų66.54%0.03935%0.349CS..EExtended strand (participates in β ladder)trans-130.7139.5178.1-68.4-74.4000112.1L160 A164 L167 V173 F190 H193 F235 Q236 R237L160-F196 HydrophobicContact CB-CE2 4.27Å; L160-F196 HydrophobicContact CD2-CD2 4.43Å; L160-F196 HydrophobicContact CD2-CE2 4.15Å; L160-F196 WeakPolarHBondContact O-CE2 3.2Å; A164-F196 HydrophobicContact CB-CE2 3.86Å; A164-F196 HydrophobicContact CB-CZ 3.92Å; L167-F196 HydrophobicContact CD2-CE1 4.09Å; V173-F196 HydrophobicContact CG2-CD1 4.47Å; V173-F196 HydrophobicContact CG2-CE1 3.79Å; V173-F196 HydrophobicContact CG2-CZ 4.47Å; F190-F196 HydrophobicContact CD1-CB 4.05Å; F190-F196 HydrophobicContact CD1-CD1 4.06Å; F190-F196 AromaticContact CD1-CD2 3.87Å; F190-F196 HydrophobicContact CD1-CD2 3.87Å; F190-F196 HydrophobicContact CD1-CE1 4.49Å; F190-F196 HydrophobicContact CD1-CE2 4.33Å; F190-F196 AromaticContact CD1-CG 3.73Å; F190-F196 HydrophobicContact CD1-CG 3.73Å; F190-F196 HydrophobicContact CE1-CD1 4.16Å; F190-F196 HydrophobicContact CE1-CD2 4.16Å; F190-F196 HydrophobicContact CE1-CE1 4.15Å; F190-F196 HydrophobicContact CE1-CE2 4.16Å; F190-F196 HydrophobicContact CE1-CG 4.17Å; F190-F196 HydrophobicContact CE1-CZ 4.16Å; H193-F196 HydrophobicContact CB-CD2 4.22Å; H193-F196 AromaticContact ND1-CD2 3.59Å; H193-F196 PolarHBondContact O-N 3.25Å; H193-F196 VanDerWaalsContact O-N 3.15Å; F196-F235 HydrophobicContact CB-CB 4.49Å; F196-F235 HydrophobicContact CD1-CB 4.35Å; F196-Q236 VanDerWaalsContact CA-O 3.32Å; F196-Q236 WeakPolarHBondContact CA-O 3.49Å; F196-R237 HydrophobicContact CD1-CB 4.26Å; F196-R237 HydrophobicContact CE1-CB 3.93Å; F196-R237 HydrophobicContact CE1-CG 4.26Å
197A98.3Very high96.7Very high38 Ų3867.9 Ų67.931%0.31436%0.357SS..EExtended strand (participates in β ladder)trans-122.5141.2170.500000109.8F235 Q236 I238A197-F235 CarbonylContact O-C 3.49Å; A197-F235 WeakPolarHBondContact O-CA 3.27Å; A197-Q236 PolarHBondContact N-O 3.37Å; A197-Q236 PolarHBondContact O-N 3.19Å; A197-I238 HydrophobicContact CB-CD1 4.29Å; A197-I238 HydrophobicContact CB-CG2 3.86Å
198R98.3Very high96.6Very high119 Ų11970.5 Ų70.545%0.44937%0.372SS..EExtended strand (participates in β ladder)trans-70.8133173.8-172.3173.8-179.3-177.4-0.3109.4F235R198-F235 HydrophobicContact CB-CD1 4.01Å; R198-F235 HydrophobicContact CB-CE1 3.95Å; R198-F235 HydrophobicContact CG-CD1 4.35Å; R198-F235 HydrophobicContact CG-CE1 4.04Å
199V98.4Very high96.6Very high19 Ų1965.1 Ų65.112%0.11535%0.349CS..PPolyproline II helixtrans-85.9125.8173.9-171.90000108.6L172 D203 L204 V234 Q236L172-V199 HydrophobicContact CD2-CG2 3.98Å; V199-D203 HydrophobicContact CG1-CB 3.86Å; V199-L204 HydrophobicContact CB-CD2 4.25Å; V199-L204 HydrophobicContact CB-CG 4.48Å; V199-L204 HydrophobicContact CG1-CD1 4.49Å; V199-L204 HydrophobicContact CG1-CD2 3.7Å; V199-L204 HydrophobicContact CG1-CG 3.89Å; V199-V234 HydrophobicContact CB-CB 4.32Å; V199-V234 HydrophobicContact CB-CG1 4.35Å; V199-V234 HydrophobicContact CG2-CG1 4.12Å; V199-V234 PolarHBondContact N-O 3.23Å; V199-Q236 HydrophobicContact CG2-CB 3.83Å
200P96.8Very high96.5Very high53 Ų5365.9 Ų65.934%0.34435%0.353SS..PPolyproline II helixtrans-59.8153.4173.3-21.732.8000112.5E202 D203 L204P200-E202 VanDerWaalsContact C-N 3.29Å; P200-E202 HydrophobicContact CB-CG 3.88Å; P200-E202 WeakPolarHBondContact CB-OE1 3.46Å; P200-E202 VanDerWaalsContact CB-OE2 3.31Å; P200-E202 WeakPolarHBondContact CB-OE2 3.39Å; P200-E202 PolarHBondContact O-N 3.46Å; P200-D203 WeakPolarHBondContact CD-OD2 3.49Å; P200-D203 PolarHBondContact O-N 3.38Å; P200-L204 WeakPolarHBondContact O-CG 3.47Å
201E92.8Very high96.2Very high144 Ų14469.6 Ų69.667%0.67338%0.379SS*.G310 helixtrans-68.5-32.3-177.6-69.6-177.9-165.800111.9D203 L204E201-D203 PolarHBondContact O-N 2.93Å; E201-L204 PolarHBondContact O-N 3.49Å; E201-L204 VanDerWaalsContact O-N 3.09Å
202E95.1Very high96.1Very high134 Ų13470.6 Ų70.663%0.62637%0.373SS*.G310 helixtrans-60.6-29.5174.757.1-92.9-142.600113.3P200 L204 V205P200-E202 VanDerWaalsContact C-N 3.29Å; P200-E202 HydrophobicContact CB-CG 3.88Å; P200-E202 WeakPolarHBondContact CB-OE1 3.46Å; P200-E202 VanDerWaalsContact CB-OE2 3.31Å; P200-E202 WeakPolarHBondContact CB-OE2 3.39Å; P200-E202 PolarHBondContact O-N 3.46Å; E202-L204 VanDerWaalsContact C-N 3.28Å; E202-L204 PolarHBondContact O-N 2.77Å; E202-V205 VanDerWaalsContact O-CG2 3.29Å; E202-V205 WeakPolarHBondContact O-CG2 3.32Å
203D95.6Very high95.9Very high113 Ų11364.8 Ų64.860%0.60435%0.345SS*.G310 helixtrans-83.9-6.7178.5-66.9-19.8000112.4V199 P200 E201V199-D203 HydrophobicContact CG1-CB 3.86Å; P200-D203 WeakPolarHBondContact CD-OD2 3.49Å; P200-D203 PolarHBondContact O-N 3.38Å; E201-D203 PolarHBondContact O-N 2.93Å
204L95.1Very high95.6Very high16 Ų1665 Ų658%0.08435%0.35CS..G310 helixtrans-103-1.8-176.8-63.8173.2000113.3V199 P200 E201 E202 D206 D207 I210 V234V199-L204 HydrophobicContact CB-CD2 4.25Å; V199-L204 HydrophobicContact CB-CG 4.48Å; V199-L204 HydrophobicContact CG1-CD1 4.49Å; V199-L204 HydrophobicContact CG1-CD2 3.7Å; V199-L204 HydrophobicContact CG1-CG 3.89Å; P200-L204 WeakPolarHBondContact O-CG 3.47Å; E201-L204 PolarHBondContact O-N 3.49Å; E201-L204 VanDerWaalsContact O-N 3.09Å; E202-L204 VanDerWaalsContact C-N 3.28Å; E202-L204 PolarHBondContact O-N 2.77Å; L204-D206 VanDerWaalsContact C-N 3.26Å; L204-D206 PolarHBondContact O-N 3.39Å; L204-D207 WeakPolarHBondContact O-CB 3.46Å; L204-D207 PolarHBondContact O-N 3.16Å; L204-I210 HydrophobicContact CB-CD1 4.36Å; L204-I210 HydrophobicContact CB-CG1 4.22Å; L204-I210 HydrophobicContact CD1-CD1 4.21Å; L204-I210 HydrophobicContact CD2-CD1 4.32Å; L204-V234 HydrophobicContact CD1-CB 3.84Å; L204-V234 HydrophobicContact CD1-CG2 3.64Å; L204-V234 HydrophobicContact CD2-CB 4.11Å; L204-V234 HydrophobicContact CD2-CG1 4.05Å; L204-V234 HydrophobicContact CD2-CG2 4.15Å
205V91.8Very high95.3Very high112 Ų11263 Ų6368%0.67934%0.338SS*.THydrogen-bonded Turntrans-58.8-34.7-174.5-71.10000113.7E202E202-V205 VanDerWaalsContact O-CG2 3.29Å; E202-V205 WeakPolarHBondContact O-CG2 3.32Å
206D93.4Very high94.9Very high151 Ų15161.8 Ų61.881%0.80733%0.332SS*.THydrogen-bonded Turntrans-91.6-2.4-179.9-64.9-37.4000113L204 V208L204-D206 VanDerWaalsContact C-N 3.26Å; L204-D206 PolarHBondContact O-N 3.39Å; D206-V208 PolarHBondContact O-N 3.42Å; D206-V208 VanDerWaalsContact O-N 3.14Å
207D96.1Very high94.6Very high32 Ų3261.9 Ų61.917%0.17133%0.333CS..  trans-78.6103.9178.8-172.1-21000110.7Y174 L204 I209 I210Y174-D207 WeakPolarHBondContact CE1-OD2 3.25Å; Y174-D207 VanDerWaalsContact CZ-OD2 3.29Å; Y174-D207 PolarHBondContact OH-OD2 2.94Å; L204-D207 WeakPolarHBondContact O-CB 3.46Å; L204-D207 PolarHBondContact O-N 3.16Å; D207-I209 PolarHBondContact O-N 2.95Å; D207-I209 VanDerWaalsContact OD1-CB 3.24Å; D207-I209 WeakPolarHBondContact OD1-CB 3.37Å; D207-I209 WeakPolarHBondContact OD1-CG1 3.47Å; D207-I209 PolarHBondContact OD1-N 3.47Å; D207-I210 HydrophobicContact CB-CG1 3.7Å; D207-I210 WeakPolarHBondContact O-CB 3.16Å; D207-I210 PolarHBondContact O-N 3.13Å
208V96.5Very high94.2Very high76 Ų7662.6 Ų62.646%0.46133%0.33SS..THydrogen-bonded Turntrans-55.1-27.5-178.2-38.30000113L76 F77 D206 S211L76-V208 HydrophobicContact CD1-CG2 4.41Å; F77-V208 HydrophobicContact CE2-CG2 4.17Å; F77-V208 HydrophobicContact CZ-CG2 3.91Å; D206-V208 PolarHBondContact O-N 3.42Å; D206-V208 VanDerWaalsContact O-N 3.14Å; V208-S211 PolarHBondContact O-OG 3.21Å
209I97.4Very high94Very high0 Ų060.4 Ų60.40%033%0.325CS..THydrogen-bonded Turntrans-70.7-36.3-176.4-60.4169.6000110.5L73 F77 K135 F137 Y174 D207 S211 R212 L213L73-I209 HydrophobicContact CD2-CG1 4.08Å; L73-I209 HydrophobicContact CD2-CG2 4.29Å; F77-I209 HydrophobicContact CE2-CD1 3.97Å; F77-I209 HydrophobicContact CE2-CG1 3.82Å; F77-I209 HydrophobicContact CZ-CD1 3.89Å; F77-I209 HydrophobicContact CZ-CG1 3.92Å; K135-I209 HydrophobicContact CD-CD1 3.54Å; F137-I209 HydrophobicContact CE1-CD1 4.33Å; F137-I209 HydrophobicContact CE1-CG2 3.88Å; F137-I209 HydrophobicContact CZ-CD1 4.2Å; Y174-I209 HydrophobicContact CE1-CB 4.45Å; Y174-I209 HydrophobicContact CE1-CG2 4.45Å; D207-I209 PolarHBondContact O-N 2.95Å; D207-I209 VanDerWaalsContact OD1-CB 3.24Å; D207-I209 WeakPolarHBondContact OD1-CB 3.37Å; D207-I209 WeakPolarHBondContact OD1-CG1 3.47Å; D207-I209 PolarHBondContact OD1-N 3.47Å; I209-S211 VanDerWaalsContact C-N 3.26Å; I209-S211 PolarHBondContact O-N 2.94Å; I209-R212 WeakPolarHBondContact O-CA 3.39Å; I209-R212 WeakPolarHBondContact O-CB 3.49Å; I209-R212 PolarHBondContact O-N 3Å; I209-L213 HydrophobicContact CG2-CD2 3.64Å; I209-L213 HydrophobicContact CG2-CG 4.03Å; I209-L213 WeakPolarHBondContact O-CG 3.36Å; I209-L213 PolarHBondContact O-N 3.29Å
210I96.2Very high93.7Very high38 Ų3859.5 Ų59.520%0.19532%0.32CS..Hα-helixtrans-54.7-44.5-173.8-62.2-68.7000111.2Y174 L204 D207 R212 L213 L232 V234Y174-I210 HydrophobicContact CD1-CD1 4.02Å; Y174-I210 HydrophobicContact CE1-CD1 3.96Å; L204-I210 HydrophobicContact CB-CD1 4.36Å; L204-I210 HydrophobicContact CB-CG1 4.22Å; L204-I210 HydrophobicContact CD1-CD1 4.21Å; L204-I210 HydrophobicContact CD2-CD1 4.32Å; D207-I210 HydrophobicContact CB-CG1 3.7Å; D207-I210 WeakPolarHBondContact O-CB 3.16Å; D207-I210 PolarHBondContact O-N 3.13Å; I210-R212 PolarHBondContact O-N 3.3Å; I210-R212 VanDerWaalsContact O-N 3.16Å; I210-L213 HydrophobicContact CD1-CD1 4.41Å; I210-L213 PolarHBondContact O-N 2.91Å; I210-L232 HydrophobicContact CD1-CD2 4.07Å; I210-L232 HydrophobicContact CG2-CD2 3.78Å; I210-V234 HydrophobicContact CD1-CG2 3.8Å
211S92.6Very high93.5Very high78 Ų7860.7 Ų60.755%0.54532%0.319SS..Hα-helixtrans-62.5-21.2178.770.30000114.3V208 I209V208-S211 PolarHBondContact O-OG 3.21Å; I209-S211 VanDerWaalsContact C-N 3.26Å; I209-S211 PolarHBondContact O-N 2.94Å
212R94.3Very high93.5Very high91 Ų9159.8 Ų59.834%0.34331%0.313SS..Hα-helixtrans-95.4-26.6-175.8-52.8-58.7175.2134.3-1.5113.4E72 I209 I210 S214 S215 C216E72-R212 HydrophobicContact CG-CB 4.14Å; E72-R212 HydrophobicContact CG-CG 4.2Å; E72-R212 IonicContact OE1-CZ 3.59Å; E72-R212 IonicContact OE1-NE 3.9Å; E72-R212 IonicContact OE1-NH1 2.63Å; E72-R212 PolarHBondContact OE1-NH1 3.39Å; I209-R212 WeakPolarHBondContact O-CA 3.39Å; I209-R212 WeakPolarHBondContact O-CB 3.49Å; I209-R212 PolarHBondContact O-N 3Å; I210-R212 PolarHBondContact O-N 3.3Å; I210-R212 VanDerWaalsContact O-N 3.16Å; R212-S214 PolarHBondContact O-N 2.83Å; R212-S214 VanDerWaalsContact O-N 3.14Å; R212-S215 PolarHBondContact O-N 3.01Å; R212-S215 VanDerWaalsContact O-N 3.08Å; R212-S215 PolarHBondContact O-OG 3.12Å; R212-C216 WeakPolarHBondContact O-CB 3.46Å; R212-C216 PolarHBondContact O-N 2.95Å; R212-C216 PolarHBondContact O-SG 3.13Å
213L93.9Very high93.4Very high1 Ų153.8 Ų53.81%0.00529%0.286CS..Hα-helixtrans-58-34.7-169.9-65.3-178.7000113.7L69 F137 L139 Y174 I176 I209 I210 L232L69-L213 HydrophobicContact CD1-CD2 3.96Å; F137-L213 HydrophobicContact CD1-CD2 4.27Å; L139-L213 HydrophobicContact CD1-CD2 3.95Å; L139-L213 HydrophobicContact CD2-CD2 3.85Å; Y174-L213 HydrophobicContact CD1-CD1 3.95Å; Y174-L213 HydrophobicContact CG-CD1 4.4Å; I176-L213 HydrophobicContact CD1-CB 4.09Å; I209-L213 HydrophobicContact CG2-CD2 3.64Å; I209-L213 HydrophobicContact CG2-CG 4.03Å; I209-L213 WeakPolarHBondContact O-CG 3.36Å; I209-L213 PolarHBondContact O-N 3.29Å; I210-L213 HydrophobicContact CD1-CD1 4.41Å; I210-L213 PolarHBondContact O-N 2.91Å; L213-L232 HydrophobicContact CD1-CD1 3.66Å
214S90.4Very high93.2Very high31 Ų3153 Ų5322%0.21728%0.278CS..THydrogen-bonded Turntrans-77.1-18.6-178.370.50000114.5R212 G220 Q224R212-S214 PolarHBondContact O-N 2.83Å; R212-S214 VanDerWaalsContact O-N 3.14Å; S214-G220 CarbonylContact O-C 3.6Å; S214-G220 WeakPolarHBondContact O-CA 3.4Å; S214-Q224 PolarHBondContact O-NE2 2.77Å; S214-Q224 PolarHBondContact OG-NE2 2.78Å
215S90.8Very high93.2Very high39 Ų3960.3 Ų60.327%0.27331%0.305SS..THydrogen-bonded Turntrans-130.5-11.9-166.663.40000114.9R212 K221R212-S215 PolarHBondContact O-N 3.01Å; R212-S215 VanDerWaalsContact O-N 3.08Å; R212-S215 PolarHBondContact O-OG 3.12Å; S215-K221 WeakPolarHBondContact O-CE 3.33Å; S215-K221 WeakPolarHBondContact O-CG 3.38Å
216C90.3Very high93.3Very high4 Ų460.7 Ų60.73%0.02730%0.303CS..SBendtrans-79.5-27.7-178.263.90000113.4G68 L69 E72 R212G68-C216 CarbonylContact C-O 3.36Å; G68-C216 VanDerWaalsContact CA-O 3.32Å; G68-C216 WeakPolarHBondContact CA-O 3.42Å; L69-C216 WeakPolarHBondContact CD1-SG 3.23Å; E72-C216 HydrophobicContact CB-CB 3.78Å; E72-C216 HydrophobicContact CG-CB 3.81Å; R212-C216 WeakPolarHBondContact O-CB 3.46Å; R212-C216 PolarHBondContact O-N 2.95Å; R212-C216 PolarHBondContact O-SG 3.13Å
217T92.9Very high93.2Very high10 Ų1056.9 Ų56.96%0.06130%0.3CS..SBendtrans-92.2161.5-179.869.60000112.5L69 L139 F140 G220 K221L69-T217 HydrophobicContact CB-CG2 4.39Å; L139-T217 HydrophobicContact CB-CG2 4.32Å; L139-T217 HydrophobicContact CD1-CG2 3.65Å; F140-T217 WeakPolarHBondContact CE2-OG1 3.31Å; T217-G220 PolarHBondContact O-N 3.05Å; T217-G220 PolarHBondContact OG1-N 2.99Å; T217-K221 WeakPolarHBondContact O-CB 3.4Å; T217-K221 VanDerWaalsContact O-CG 3.25Å; T217-K221 WeakPolarHBondContact O-CG 3.4Å; T217-K221 PolarHBondContact O-N 2.63Å
218E90.8Very high93Very high53 Ų5357.4 Ų57.425%0.24831%0.312CS..Hα-helixtrans-68-39.6178.1-67.3-62.6141.300112.2K9 Y66 K222K9-E218 VanDerWaalsContact NZ-CG 3.33Å; K9-E218 IonicContact NZ-OE1 3.76Å; K9-E218 PolarHBondContact NZ-OE1 2.87Å; K9-E218 IonicContact NZ-OE2 3.47Å; K9-E218 PolarHBondContact NZ-OE2 3.22Å; Y66-E218 HydrophobicContact CD2-CG 4.24Å; E218-K222 WeakPolarHBondContact O-CB 3.48Å; E218-K222 PolarHBondContact O-N 3.26Å
219E92.2Very high93Very high74 Ų7460.5 Ų60.535%0.34632%0.32SS..Hα-helixtrans-60.8-48.8174.3-72.469.1-158.500110.3F140 K221 K222 V223F140-E219 HydrophobicContact CB-CB 3.72Å; F140-E219 HydrophobicContact CB-CG 4.12Å; F140-E219 HydrophobicContact CD1-CB 4.23Å; F140-E219 HydrophobicContact CD2-CB 3.78Å; F140-E219 HydrophobicContact CE2-CB 4.5Å; F140-E219 HydrophobicContact CG-CB 3.63Å; E219-K221 PolarHBondContact O-N 3.49Å; E219-K222 WeakPolarHBondContact O-CB 3.38Å; E219-K222 PolarHBondContact O-N 3.34Å; E219-K222 VanDerWaalsContact O-N 3.12Å; E219-V223 VanDerWaalsContact O-CG2 3.31Å; E219-V223 WeakPolarHBondContact O-CG2 3.13Å; E219-V223 PolarHBondContact O-N 2.97Å
220G93.1Very high92.9Very high0 Ų062.6 Ų62.60%033%0.333CS..Hα-helixtrans-59.7-4917600000112.9S214 T217 K222 V223 Q224S214-G220 CarbonylContact O-C 3.6Å; S214-G220 WeakPolarHBondContact O-CA 3.4Å; T217-G220 PolarHBondContact O-N 3.05Å; T217-G220 PolarHBondContact OG1-N 2.99Å; G220-K222 PolarHBondContact O-N 3.48Å; G220-V223 PolarHBondContact O-N 3.23Å; G220-V223 VanDerWaalsContact O-N 3.11Å; G220-Q224 PolarHBondContact O-N 3.24Å
221K93.4Very high93Very high78 Ų7862.9 Ų62.934%0.33933%0.331SS..Hα-helixtrans-57.6-36.7174.2-69.5172.2-171177.10112.4S215 T217 E219 R225S215-K221 WeakPolarHBondContact O-CE 3.33Å; S215-K221 WeakPolarHBondContact O-CG 3.38Å; T217-K221 WeakPolarHBondContact O-CB 3.4Å; T217-K221 VanDerWaalsContact O-CG 3.25Å; T217-K221 WeakPolarHBondContact O-CG 3.4Å; T217-K221 PolarHBondContact O-N 2.63Å; E219-K221 PolarHBondContact O-N 3.49Å; K221-R225 WeakPolarHBondContact O-CB 2.84Å; K221-R225 WeakPolarHBondContact O-CG 3.49Å; K221-R225 PolarHBondContact O-N 3.28Å
222K92.1Very high93.2Very high124 Ų12461.6 Ų61.654%0.53932%0.318SS..Hα-helixtrans-67.1-44176.9-180-169.1171.5-164.60111.2E218 E219 G220 R225 N226E218-K222 WeakPolarHBondContact O-CB 3.48Å; E218-K222 PolarHBondContact O-N 3.26Å; E219-K222 WeakPolarHBondContact O-CB 3.38Å; E219-K222 PolarHBondContact O-N 3.34Å; E219-K222 VanDerWaalsContact O-N 3.12Å; G220-K222 PolarHBondContact O-N 3.48Å; K222-R225 PolarHBondContact O-N 3.14Å; K222-N226 VanDerWaalsContact O-CG 3.31Å; K222-N226 PolarHBondContact O-N 3.34Å; K222-N226 VanDerWaalsContact O-N 3.15Å
223V92.8Very high93.4Very high9 Ų957.4 Ų57.46%0.05530%0.303CS..Hα-helixtrans-60.6-47.4177.41750000110.1F140 D178 E219 G220 R225 N226 G227 G228 T230F140-V223 HydrophobicContact CD1-CG2 4.5Å; F140-V223 HydrophobicContact CE1-CG2 4.05Å; D178-V223 HydrophobicContact CB-CG1 4.09Å; D178-V223 HydrophobicContact CB-CG2 3.59Å; E219-V223 VanDerWaalsContact O-CG2 3.31Å; E219-V223 WeakPolarHBondContact O-CG2 3.13Å; E219-V223 PolarHBondContact O-N 2.97Å; G220-V223 PolarHBondContact O-N 3.23Å; G220-V223 VanDerWaalsContact O-N 3.11Å; V223-R225 PolarHBondContact O-N 2.88Å; V223-N226 CarbonylContact O-C 3.56Å; V223-N226 PolarHBondContact O-N 3.27Å; V223-N226 VanDerWaalsContact O-N 3.13Å; V223-G227 PolarHBondContact O-N 2.94Å; V223-G228 WeakPolarHBondContact CG1-O 3.29Å; V223-G228 PolarHBondContact O-N 3.06Å; V223-T230 HydrophobicContact CB-CG2 4.47Å; V223-T230 HydrophobicContact CG1-CG2 3.78Å
224Q91.9Very high93.6Very high97 Ų9757.4 Ų57.445%0.45330%0.303SS..Hα-helixtrans-59.8-47176.8-70.4-175.7-16.500112.9S214 G220 N226 G227S214-Q224 PolarHBondContact O-NE2 2.77Å; S214-Q224 PolarHBondContact OG-NE2 2.78Å; G220-Q224 PolarHBondContact O-N 3.24Å; Q224-N226 PolarHBondContact O-N 3.45Å; Q224-G227 PolarHBondContact O-N 3.26Å
225R94Very high94Very high169 Ų16956 Ų5664%0.63829%0.293SS*.Hα-helixtrans-58.1-30.6176.4-78.5-170.2-57.7-96.5-0.5113.1K221 K222 V223K221-R225 WeakPolarHBondContact O-CB 2.84Å; K221-R225 WeakPolarHBondContact O-CG 3.49Å; K221-R225 PolarHBondContact O-N 3.28Å; K222-R225 PolarHBondContact O-N 3.14Å; V223-R225 PolarHBondContact O-N 2.88Å
226N94.1Very high94.4Very high119 Ų11957.9 Ų57.964%0.63630%0.298SS*.THydrogen-bonded Turntrans-91.12.7179.9-67-8.3000113K222 V223 Q224 G228K222-N226 VanDerWaalsContact O-CG 3.31Å; K222-N226 PolarHBondContact O-N 3.34Å; K222-N226 VanDerWaalsContact O-N 3.15Å; V223-N226 CarbonylContact O-C 3.56Å; V223-N226 PolarHBondContact O-N 3.27Å; V223-N226 VanDerWaalsContact O-N 3.13Å; Q224-N226 PolarHBondContact O-N 3.45Å; N226-G228 PolarHBondContact O-N 2.87Å
227G92.3Very high94.8Very high72 Ų7259.1 Ų59.174%0.74230%0.302SS*.THydrogen-bonded Turntrans64.323.1-17500000113.8V223 Q224V223-G227 PolarHBondContact O-N 2.94Å; Q224-G227 PolarHBondContact O-N 3.26Å
228G91.8Very high95.1Very high42 Ų4261.1 Ų61.143%0.43331%0.312SS..  trans-76.8155.4179.800000112.6V223 N226V223-G228 WeakPolarHBondContact CG1-O 3.29Å; V223-G228 PolarHBondContact O-N 3.06Å; N226-G228 PolarHBondContact O-N 2.87Å
229K94.9Very high95.3Very high142 Ų14265 Ų6562%0.61733%0.33SS*.  trans-87.1146.1174.8-174.8174.4177-1760110.5D178 Y231D178-K229 WeakPolarHBondContact CA-O 3.33Å; K229-Y231 HydrophobicContact CD-CE1 3.98Å; K229-Y231 HydrophobicContact CG-CE1 4.45Å
230T96.5Very high95.2Very high44 Ų4465.7 Ų65.727%0.2734%0.336SS..  trans-113.8149169.155.10000110.9F140 I176 T177 V223F140-T230 HydrophobicContact CE1-CG2 3.96Å; F140-T230 HydrophobicContact CZ-CG2 4.08Å; I176-T230 HydrophobicContact CD1-CG2 4.38Å; T177-T230 CarbonylContact O-C 3.18Å; T177-T230 WeakPolarHBondContact O-CA 3.48Å; V223-T230 HydrophobicContact CB-CG2 4.47Å; V223-T230 HydrophobicContact CG1-CG2 3.78Å
231Y97.5Very high94.6Very high43 Ų4370.5 Ų70.517%0.16937%0.367CS..EExtended strand (participates in β ladder)trans-119.1114.5179-54.8-89000108.9I176 T177 E180 H183 K229I176-Y231 WeakPolarHBondContact CA-O 3.29Å; T177-Y231 PolarHBondContact N-O 3.29Å; T177-Y231 VanDerWaalsContact N-O 3.1Å; T177-Y231 WeakPolarHBondContact O-CD2 3.42Å; T177-Y231 PolarHBondContact O-N 3.4Å; E180-Y231 HydrophobicContact CB-CD2 4.4Å; E180-Y231 HydrophobicContact CB-CE1 4.16Å; E180-Y231 HydrophobicContact CB-CE2 3.82Å; E180-Y231 HydrophobicContact CG-CE1 4.04Å; H183-Y231 HydrophobicContact CB-CG 4.15Å; H183-Y231 VanDerWaalsContact CG-CB 3.45Å; K229-Y231 HydrophobicContact CD-CE1 3.98Å; K229-Y231 HydrophobicContact CG-CE1 4.45Å
232L97.6Very high93.6Very high51 Ų5177 Ų7727%0.26740%0.404SS..EExtended strand (participates in β ladder)trans-102.2140.2-178.917367.3000109.9T175 I176 H183 I210 L213 V234T175-L232 WeakPolarHBondContact O-CA 3.35Å; T175-L232 WeakPolarHBondContact O-CD1 3.34Å; I176-L232 HydrophobicContact CB-CD1 4.45Å; H183-L232 PolarHBondContact CE1-O 3.27Å; I210-L232 HydrophobicContact CD1-CD2 4.07Å; I210-L232 HydrophobicContact CG2-CD2 3.78Å; L213-L232 HydrophobicContact CD1-CD1 3.66Å; L232-V234 HydrophobicContact CD1-CG2 4.23Å
233A98.3Very high93.6Very high4 Ų474.7 Ų74.73%0.03340%0.398CS..EExtended strand (participates in β ladder)trans-144.9138.8162.600000110T175 V187 F235T175-A233 PolarHBondContact N-O 3.41Å; T175-A233 PolarHBondContact O-N 2.91Å; T175-A233 PolarHBondContact OG1-O 3.31Å; V187-A233 HydrophobicContact CG2-CB 3.89Å; A233-F235 HydrophobicContact CB-CE2 3.69Å; A233-F235 HydrophobicContact CB-CZ 3.72Å
234V98.8Very high93.7Very high1 Ų178.1 Ų78.11%0.00642%0.416CS..EExtended strand (participates in β ladder)trans-117.5139.2176-175.60000109.1L172 V173 Y174 V199 L204 I210 L232L172-V234 HydrophobicContact CB-CG1 4.33Å; L172-V234 HydrophobicContact CD2-CG1 4.19Å; V173-V234 CarbonylContact O-C 3.55Å; V173-V234 VanDerWaalsContact O-CA 3.28Å; V173-V234 WeakPolarHBondContact O-CA 3.26Å; Y174-V234 HydrophobicContact CD1-CG1 4.24Å; Y174-V234 HydrophobicContact CD1-CG2 3.78Å; Y174-V234 HydrophobicContact CE1-CG1 4.29Å; Y174-V234 HydrophobicContact CE1-CG2 4.28Å; V199-V234 HydrophobicContact CB-CB 4.32Å; V199-V234 HydrophobicContact CB-CG1 4.35Å; V199-V234 HydrophobicContact CG2-CG1 4.12Å; V199-V234 PolarHBondContact N-O 3.23Å; L204-V234 HydrophobicContact CD1-CB 3.84Å; L204-V234 HydrophobicContact CD1-CG2 3.64Å; L204-V234 HydrophobicContact CD2-CB 4.11Å; L204-V234 HydrophobicContact CD2-CG1 4.05Å; L204-V234 HydrophobicContact CD2-CG2 4.15Å; I210-V234 HydrophobicContact CD1-CG2 3.8Å; L232-V234 HydrophobicContact CD1-CG2 4.23Å
235F98.8Very high93.8Very high0 Ų077.1 Ų77.10%041%0.414CS..EExtended strand (participates in β ladder)trans-126.7138.8178.1-54-86.9000110L172 V173 T175 V187 F190 F196 A197 R198 A233L172-F235 CarbonylContact C-O 3.59Å; L172-F235 WeakPolarHBondContact CA-O 3.35Å; V173-F235 HydrophobicContact CB-CB 4.41Å; V173-F235 PolarHBondContact N-O 3.23Å; V173-F235 PolarHBondContact O-N 3.24Å; T175-F235 HydrophobicContact CG2-CD2 4.37Å; T175-F235 HydrophobicContact CG2-CE2 4.2Å; V187-F235 HydrophobicContact CB-CZ 4.44Å; V187-F235 HydrophobicContact CG2-CZ 4.1Å; F190-F235 HydrophobicContact CB-CD1 3.46Å; F190-F235 VanDerWaalsContact CB-CD1 3.46Å; F190-F235 HydrophobicContact CB-CD2 3.94Å; F190-F235 HydrophobicContact CB-CE1 3.43Å; F190-F235 VanDerWaalsContact CB-CE1 3.43Å; F190-F235 HydrophobicContact CB-CE2 3.93Å; F190-F235 HydrophobicContact CB-CG 3.73Å; F190-F235 HydrophobicContact CB-CZ 3.7Å; F190-F235 HydrophobicContact CD1-CB 4.02Å; F190-F235 HydrophobicContact CD1-CD1 4.38Å; F190-F235 AromaticContact CD1-CD2 3.94Å; F190-F235 HydrophobicContact CD1-CD2 3.94Å; F190-F235 AromaticContact CD1-CG 3.84Å; F190-F235 HydrophobicContact CD1-CG 3.84Å; F190-F235 AromaticContact CD2-CD2 3.77Å; F190-F235 HydrophobicContact CD2-CD2 3.77Å; F190-F235 AromaticContact CD2-CE2 3.69Å; F190-F235 HydrophobicContact CD2-CE2 3.69Å; F190-F235 HydrophobicContact CD2-CG 4.36Å; F190-F235 HydrophobicContact CD2-CZ 4.21Å; F190-F235 HydrophobicContact CE1-CD2 4.41Å; F190-F235 HydrophobicContact CE2-CD2 4.26Å; F190-F235 HydrophobicContact CE2-CE2 4.38Å; F190-F235 HydrophobicContact CG-CB 4.42Å; F190-F235 HydrophobicContact CG-CD1 4.02Å; F190-F235 AromaticContact CG-CD2 3.62Å; F190-F235 HydrophobicContact CG-CD2 3.62Å; F190-F235 HydrophobicContact CG-CE1 4.21Å; F190-F235 AromaticContact CG-CE2 3.83Å; F190-F235 HydrophobicContact CG-CE2 3.83Å; F190-F235 AromaticContact CG-CG 3.73Å; F190-F235 HydrophobicContact CG-CG 3.73Å; F190-F235 HydrophobicContact CG-CZ 4.14Å; F196-F235 HydrophobicContact CB-CB 4.49Å; F196-F235 HydrophobicContact CD1-CB 4.35Å; A197-F235 CarbonylContact O-C 3.49Å; A197-F235 WeakPolarHBondContact O-CA 3.27Å; R198-F235 HydrophobicContact CB-CD1 4.01Å; R198-F235 HydrophobicContact CB-CE1 3.95Å; R198-F235 HydrophobicContact CG-CD1 4.35Å; R198-F235 HydrophobicContact CG-CE1 4.04Å; A233-F235 HydrophobicContact CB-CE2 3.69Å; A233-F235 HydrophobicContact CB-CZ 3.72Å
236Q98.7Very high93.8Very high80 Ų8071.6 Ų71.637%0.37440%0.4SS..EExtended strand (participates in β ladder)trans-98.6135.3173.3-173.417551.900109.7G171 L172 F196 A197 V199 I238G171-Q236 CarbonylContact O-C 3.53Å; G171-Q236 WeakPolarHBondContact O-CA 3.34Å; L172-Q236 HydrophobicContact CD2-CB 3.81Å; L172-Q236 HydrophobicContact CD2-CG 4.04Å; F196-Q236 VanDerWaalsContact CA-O 3.32Å; F196-Q236 WeakPolarHBondContact CA-O 3.49Å; A197-Q236 PolarHBondContact N-O 3.37Å; A197-Q236 PolarHBondContact O-N 3.19Å; V199-Q236 HydrophobicContact CG2-CB 3.83Å; Q236-I238 PolarHBondContact O-N 3.12Å
237R98.7Very high93.7Very high29 Ų2968.7 Ų68.711%0.10939%0.386CS..EExtended strand (participates in β ladder)trans-73.9117169-172-74.8-165.6-158.76.9108.2L167 R168 G170 G171 L195 F196L167-R237 HydrophobicContact CB-CG 4.41Å; L167-R237 HydrophobicContact CD2-CB 3.81Å; L167-R237 HydrophobicContact CD2-CG 4.48Å; L167-R237 HydrophobicContact CG-CB 4.01Å; L167-R237 HydrophobicContact CG-CG 4.42Å; L167-R237 PolarHBondContact O-NE 3.04Å; R168-R237 WeakPolarHBondContact O-CB 3.43Å; R168-R237 WeakPolarHBondContact O-CD 3.38Å; G170-R237 PolarHBondContact N-O 3.03Å; G171-R237 PolarHBondContact O-N 2.92Å; L195-R237 WeakPolarHBondContact O-CA 3.48Å; F196-R237 HydrophobicContact CD1-CB 4.26Å; F196-R237 HydrophobicContact CE1-CB 3.93Å; F196-R237 HydrophobicContact CE1-CG 4.26Å
238I98.4Very high93.8Very high53 Ų5368.5 Ų68.527%0.27236%0.362SS..PPolyproline II helixtrans-103.8165.7-178.257.2167.9000111.5P194 L195 A197 Q236P194-I238 WeakPolarHBondContact O-CD1 3.36Å; L195-I238 PolarHBondContact O-N 3.09Å; A197-I238 HydrophobicContact CB-CD1 4.29Å; A197-I238 HydrophobicContact CB-CG2 3.86Å; Q236-I238 PolarHBondContact O-N 3.12Å
239E96.6Very high94Very high134 Ų13470.4 Ų70.463%0.62636%0.357SS*.PPolyproline II helixtrans-58.3153.3168.9-86.2174.4-16400111.3I169 P241I169-E239 HydrophobicContact CD1-CG 3.38Å; I169-E239 HydrophobicContact CG2-CG 3.79Å; E239-P241 WeakPolarHBondContact O-CD 3.43Å
240D90.1Very high93.9Very high89 Ų8964.8 Ų64.848%0.47634%0.337SS..PPolyproline II helixtrans-65.6122.4169.9-161.9-30000107.1L195 L242L195-D240 HydrophobicContact CD2-CB 3.73Å; D240-L242 PolarHBondContact O-N 3.43Å; D240-L242 PolarHBondContact OD1-N 2.75Å
241P80.3Confident93.7Very high100 Ų10066.6 Ų66.665%0.64934%0.342SS*.  trans-71.8-2.7-17829-36000113.8E239E239-P241 WeakPolarHBondContact O-CD 3.43Å
242L70.8Confident93.4Very high215 Ų21568.7 Ų68.7100%1.12636%0.358SS*.  trans-97.80-178.6-65.1174.9000113.7D240D240-L242 PolarHBondContact O-N 3.43Å; D240-L242 PolarHBondContact OD1-N 2.75Å

Retrieved 242 of 242 residues in 55.6 ms (Link to these results)

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