A0A096NKX6_PAPAN Loading...

Cytosolic Fe-S cluster assembly factor NUBP2

Component of the cytosolic iron-sulfur (Fe/S) protein assembly (CIA) machinery. Required for maturation of extramitochondrial Fe-S proteins. The NUBP1-NUBP2 heterotetramer forms a Fe-S scaffold complex, mediating the de novo assembly of an Fe-S cluster and its transfer to target apoproteins. Negatively regulates cilium formation and structure.

AlphaFold DB , UniProt , Accession A0A096NKX6, Species PAPAN (Papio anubis, Olive baboon), Gene NUBP2, Length 271 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.8Very low58.4Low243 Ų243105.4 Ų105.4100%1.19765%0.646SS**  085.50-163.8169.676.300105.6A3M1-A3 PolarHBondContact O-N 3.21Å
2E33.6Very low61.1Low196 Ų19697.8 Ų97.892%0.91661%0.605SS**PPolyproline II helixtrans-65.4118.1173.6-100168.414900106.9A4E2-A4 PolarHBondContact O-N 3.33Å
3A33.6Very low63.8Low93 Ų9391.6 Ų91.677%0.76957%0.565SS**PPolyproline II helixtrans-57.3125.6170.200000107.4M1 A5M1-A3 PolarHBondContact O-N 3.21Å; A3-A5 PolarHBondContact O-N 2.92Å
4A39Very low66.1Low97 Ų9793.6 Ų93.680%0.80256%0.557SS**PPolyproline II helixtrans-55.2118168.400000107E2 E6E2-A4 PolarHBondContact O-N 3.33Å; A4-E6 PolarHBondContact O-N 3.44Å
5A46.7Very low68.1Low94 Ų9488.5 Ų88.578%0.77753%0.526SS*.PPolyproline II helixtrans-54.5131.1176.600000108.2A3A3-A5 PolarHBondContact O-N 2.92Å
6E54.5Low69.9Low179 Ų17983.4 Ų83.484%0.83650%0.495SS*.PPolyproline II helixtrans-53.3135.1174-70.5-165.5156.500108.7A4 G8A4-E6 PolarHBondContact O-N 3.44Å; E6-G8 PolarHBondContact O-N 3.21Å
7P61.4Low71.6Confident109 Ų10978.5 Ų78.571%0.70847%0.466SS*.  trans-57.7115179.617.1-24.3000108.3A11P7-A11 HydrophobicContact CB-CB 3.62Å
8G77.8Confident73Confident25 Ų2574.2 Ų74.226%0.25844%0.44SS..  trans-59.6163.7-177.800000111.7E6 L10 A11E6-G8 PolarHBondContact O-N 3.21Å; G8-L10 PolarHBondContact O-N 3.23Å; G8-A11 VanDerWaalsContact O-CB 3.24Å; G8-A11 WeakPolarHBondContact O-CB 3.38Å; G8-A11 PolarHBondContact O-N 3.26Å
9N85.7Confident74.3Confident54 Ų5470.3 Ų70.329%0.28942%0.417SS..THydrogen-bonded Turntrans-63-5-170.2-81.5-28.8000116.2R74 S119 D120 V121N9-R74 PolarHBondContact ND2-O 2.82Å; N9-S119 WeakPolarHBondContact CB-O 3.37Å; N9-S119 PolarHBondContact ND2-O 3.22Å; N9-D120 WeakPolarHBondContact ND2-CA 3.47Å; N9-V121 WeakPolarHBondContact CB-O 3.24Å
10L89.7Confident75.4Confident4 Ų466.8 Ų66.82%0.02140%0.396CS..THydrogen-bonded Turntrans-93.20.3168.9-67.295.2000114.1G8 G12 I13 I16 V118 L129 L148 Y151G8-L10 PolarHBondContact O-N 3.23Å; L10-G12 PolarHBondContact O-N 2.97Å; L10-I13 HydrophobicContact CB-CD1 3.84Å; L10-I13 HydrophobicContact CB-CG1 4.38Å; L10-I13 HydrophobicContact CD2-CD1 3.96Å; L10-I13 HydrophobicContact CG-CD1 3.77Å; L10-I13 VanDerWaalsContact O-CB 3.31Å; L10-I13 WeakPolarHBondContact O-CB 3.41Å; L10-I13 WeakPolarHBondContact O-CG1 3.39Å; L10-I13 PolarHBondContact O-N 3.2Å; L10-I16 HydrophobicContact CD2-CD1 3.61Å; L10-I16 HydrophobicContact CD2-CG1 4.41Å; L10-V118 HydrophobicContact CD1-CB 4.25Å; L10-V118 HydrophobicContact CD1-CG1 3.45Å; L10-V118 VanDerWaalsContact CD1-CG1 3.45Å; L10-V118 WeakPolarHBondContact CD1-O 3.35Å; L10-L129 HydrophobicContact CD2-CD2 3.59Å; L10-L148 HydrophobicContact CD2-CD2 3.75Å; L10-Y151 HydrophobicContact CB-CD1 3.62Å; L10-Y151 HydrophobicContact CB-CD2 4.39Å; L10-Y151 HydrophobicContact CB-CE1 3.73Å; L10-Y151 HydrophobicContact CB-CE2 4.49Å; L10-Y151 HydrophobicContact CB-CG 3.96Å; L10-Y151 HydrophobicContact CD1-CD2 4.11Å; L10-Y151 HydrophobicContact CD1-CE1 4.22Å; L10-Y151 HydrophobicContact CD1-CE2 3.73Å; L10-Y151 HydrophobicContact CD1-CG 4.49Å; L10-Y151 HydrophobicContact CD2-CD2 4.46Å; L10-Y151 HydrophobicContact CD2-CG 4.49Å
11A86.4Confident76.2Confident65 Ų6563.6 Ų63.654%0.53738%0.377SS..THydrogen-bonded Turntrans-62.4-27-175.500000113.9P7 G8 I13P7-A11 HydrophobicContact CB-CB 3.62Å; G8-A11 VanDerWaalsContact O-CB 3.24Å; G8-A11 WeakPolarHBondContact O-CB 3.38Å; G8-A11 PolarHBondContact O-N 3.26Å; A11-I13 PolarHBondContact O-N 3.27Å
12G91.4Very high78.8Confident15 Ų1552.8 Ų52.816%0.15533%0.328CS..THydrogen-bonded Turntrans-81.87.1174.800000114.6L10 E125 L126L10-G12 PolarHBondContact O-N 2.97Å; G12-E125 WeakPolarHBondContact O-CA 3.48Å; G12-L126 PolarHBondContact O-N 2.99Å
13I95.6Very high81.2Confident17 Ų1746.1 Ų46.19%0.08730%0.296CS..EExtended strand (participates in β ladder)trans-101.7118.2-176.6-54-178.9000109.3L10 A11 I16 W123 L126 L129L10-I13 HydrophobicContact CB-CD1 3.84Å; L10-I13 HydrophobicContact CB-CG1 4.38Å; L10-I13 HydrophobicContact CD2-CD1 3.96Å; L10-I13 HydrophobicContact CG-CD1 3.77Å; L10-I13 VanDerWaalsContact O-CB 3.31Å; L10-I13 WeakPolarHBondContact O-CB 3.41Å; L10-I13 WeakPolarHBondContact O-CG1 3.39Å; L10-I13 PolarHBondContact O-N 3.2Å; A11-I13 PolarHBondContact O-N 3.27Å; I13-I16 HydrophobicContact CG2-CG1 3.85Å; I13-W123 HydrophobicContact CD1-CB 4.06Å; I13-W123 HydrophobicContact CD1-CG 3.93Å; I13-W123 HydrophobicContact CG1-CB 4.44Å; I13-L126 HydrophobicContact CD1-CD1 4.1Å; I13-L126 HydrophobicContact CG1-CB 4.23Å; I13-L126 HydrophobicContact CG1-CD1 4.16Å; I13-L126 HydrophobicContact CG1-CG 4.44Å; I13-L126 HydrophobicContact CG2-CB 4.33Å; I13-L129 HydrophobicContact CD1-CB 4.05Å; I13-L129 HydrophobicContact CD1-CD2 3.72Å; I13-L129 HydrophobicContact CD1-CG 4.34Å; I13-L129 HydrophobicContact CG2-CB 3.65Å
14R95.6Very high83.7Confident119 Ų11944 Ų4445%0.44928%0.284SS..EExtended strand (participates in β ladder)trans-71.4-42.2-177.2-61.2-176.7-177.9-150.4-0.6113L126 D127R14-L126 PolarHBondContact N-O 3.41Å; R14-D127 IonicContact NE-OD1 3.68Å
15H96.8Very high86Confident18 Ų1843 Ų438%0.08328%0.282CS..EExtended strand (participates in β ladder)trans-138127.8-176.8-54-62.2000111.3D127 Y128 L129 L154 T266 Y269H15-D127 WeakPolarHBondContact CB-O 3.47Å; H15-D127 PolarHBondContact CD2-O 3.03Å; H15-D127 PolarHBondContact N-O 3.08Å; H15-D127 VanDerWaalsContact N-O 3.13Å; H15-Y128 HydrophobicContact CB-CD1 3.69Å; H15-Y128 HydrophobicContact CB-CE1 3.78Å; H15-Y128 HydrophobicContact CB-CG 4.44Å; H15-Y128 AromaticContact CD2-CE1 3.89Å; H15-Y128 AromaticContact CD2-CZ 3.83Å; H15-Y128 CarbonylContact O-C 3.51Å; H15-Y128 VanDerWaalsContact O-CA 3.28Å; H15-Y128 WeakPolarHBondContact O-CA 3.21Å; H15-L129 PolarHBondContact O-N 3.42Å; H15-L154 HydrophobicContact CB-CD2 4.33Å; H15-T266 HydrophobicContact CB-CG2 4.45Å; H15-T266 VanDerWaalsContact CD2-CG2 3.43Å; H15-T266 WeakPolarHBondContact CD2-CG2 3.28Å; H15-T266 WeakPolarHBondContact CE1-CG2 3.34Å; H15-T266 VanDerWaalsContact CG-CG2 3.5Å; H15-T266 WeakPolarHBondContact ND1-CG2 3.38Å; H15-T266 VanDerWaalsContact NE2-CG2 3.27Å; H15-T266 WeakPolarHBondContact NE2-CG2 3.36Å; H15-Y269 AromaticContact CE1-CD2 3.78Å; H15-Y269 AromaticContact CE1-CE2 3.67Å
16I97.5Very high88.2Confident6 Ų638.6 Ų38.63%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-108.6123.2172.8-56.9166.4000108.1L10 I13 L129 V131 Y151 P153 L154L10-I16 HydrophobicContact CD2-CD1 3.61Å; L10-I16 HydrophobicContact CD2-CG1 4.41Å; I13-I16 HydrophobicContact CG2-CG1 3.85Å; I16-L129 WeakPolarHBondContact CA-O 3.25Å; I16-L129 HydrophobicContact CG1-CB 4.29Å; I16-L129 HydrophobicContact CG1-CD2 4.41Å; I16-L129 HydrophobicContact CG2-CD2 4.41Å; I16-V131 HydrophobicContact CG2-CG2 3.89Å; I16-Y151 HydrophobicContact CD1-CG 4.49Å; I16-P153 HydrophobicContact CB-CB 4.24Å; I16-P153 HydrophobicContact CG2-CB 4.2Å; I16-P153 HydrophobicContact CG2-CG 4.42Å; I16-P153 CarbonylContact O-C 3.49Å; I16-L154 WeakPolarHBondContact O-CB 3.42Å; I16-L154 PolarHBondContact O-N 3.02Å
17I98Very high90Very high0 Ų030.8 Ų30.80%021%0.213CC..EExtended strand (participates in β ladder)trans-114.2126.1178.5-60.9173000108.5L35 Y128 L129 V131 L154 L157 M185 I262I17-L35 HydrophobicContact CG2-CD2 4.4Å; I17-Y128 HydrophobicContact CD1-CD1 3.59Å; I17-Y128 HydrophobicContact CD1-CE1 3.93Å; I17-Y128 HydrophobicContact CG1-CD1 4.31Å; I17-L129 PolarHBondContact N-O 3.3Å; I17-V131 PolarHBondContact O-N 3.38Å; I17-L154 HydrophobicContact CG1-CD2 4.31Å; I17-L157 HydrophobicContact CG2-CD1 3.85Å; I17-L157 HydrophobicContact CG2-CG 3.96Å; I17-M185 HydrophobicContact CG1-SD 4.3Å; I17-M185 HydrophobicContact CG2-SD 4.28Å; I17-I262 HydrophobicContact CD1-CG2 3.61Å
18L97.7Very high91.6Very high1 Ų126 Ų261%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-91.9137.5175.3-51.9167.4000109.2L20 V131 I145 L148 P153 G155 A156 L157 V182L18-L20 HydrophobicContact CB-CD2 3.93Å; L18-L20 HydrophobicContact CB-CG 4.46Å; L18-V131 HydrophobicContact CD2-CB 4.07Å; L18-V131 HydrophobicContact CD2-CG1 4.43Å; L18-V131 HydrophobicContact CD2-CG2 4.36Å; L18-I145 HydrophobicContact CD1-CD1 3.57Å; L18-I145 HydrophobicContact CD2-CD1 4.42Å; L18-L148 HydrophobicContact CD2-CD1 3.49Å; L18-L148 VanDerWaalsContact CD2-CD1 3.49Å; L18-P153 HydrophobicContact CD1-CB 4.09Å; L18-P153 HydrophobicContact CD1-CG 4.4Å; L18-P153 HydrophobicContact CG-CB 4.16Å; L18-G155 PolarHBondContact N-O 2.89Å; L18-A156 HydrophobicContact CB-CB 4.13Å; L18-A156 CarbonylContact O-C 3.47Å; L18-A156 VanDerWaalsContact O-CA 3.27Å; L18-A156 WeakPolarHBondContact O-CA 3.44Å; L18-L157 PolarHBondContact O-N 3.48Å; L18-V182 HydrophobicContact CD1-CG1 3.79Å; L18-V182 HydrophobicContact CD1-CG2 4.37Å
19V97.4Very high92.5Very high0 Ų025.4 Ų25.40%017%0.173CC..EExtended strand (participates in β ladder)trans-113.8111.2172.2-168.60000108.5K28 S32 V130 V131 T133 L157 V159V19-K28 HydrophobicContact CG1-CG 3.87Å; V19-K28 WeakPolarHBondContact O-CD 3.24Å; V19-S32 VanDerWaalsContact CB-OG 3.25Å; V19-S32 WeakPolarHBondContact CB-OG 3.37Å; V19-S32 WeakPolarHBondContact CG1-OG 3.33Å; V19-S32 WeakPolarHBondContact CG2-OG 3.32Å; V19-V130 HydrophobicContact CG2-CG1 3.7Å; V19-V131 PolarHBondContact N-O 3.46Å; V19-T133 PolarHBondContact O-N 3.34Å; V19-T133 PolarHBondContact O-OG1 3.04Å; V19-L157 HydrophobicContact CG2-CD1 4.45Å; V19-V159 HydrophobicContact CG1-CG2 3.63Å
20L95.4Very high93.1Very high0 Ų024 Ų240%017%0.166CC..EExtended strand (participates in β ladder)trans-111.2157.1-171.9-47.7-172.7000111.1L18 T133 H141 A156 L157 V159 E173 C177L18-L20 HydrophobicContact CB-CD2 3.93Å; L18-L20 HydrophobicContact CB-CG 4.46Å; L20-T133 HydrophobicContact CD2-CG2 3.4Å; L20-T133 WeakPolarHBondContact CD2-OG1 3.35Å; L20-H141 WeakPolarHBondContact CD2-NE2 3.43Å; L20-A156 HydrophobicContact CD1-CB 3.53Å; L20-A156 HydrophobicContact CG-CB 3.81Å; L20-L157 PolarHBondContact N-O 3.36Å; L20-V159 PolarHBondContact O-N 2.95Å; L20-E173 HydrophobicContact CB-CG 4.03Å; L20-C177 WeakPolarHBondContact CD1-SG 3.4Å
21S92.6Very high93.5Very high1 Ų124 Ų241%0.00717%0.167CC..EExtended strand (participates in β ladder)trans-153.2141.1170.860.80000110.7K23 V26 K28 G136S21-K23 VanDerWaalsContact C-N 3.26Å; S21-K23 PolarHBondContact O-N 3.15Å; S21-K23 PolarHBondContact OG-O 2.83Å; S21-V26 VanDerWaalsContact CB-CG2 3.45Å; S21-K28 WeakPolarHBondContact OG-CD 3.5Å; S21-G136 PolarHBondContact O-N 2.86Å
22G87.9Confident94Very high15 Ų1521 Ų2116%0.15514%0.141CC..SBendtrans-72.3-14.7-18000000115.1G136G22-G136 WeakPolarHBondContact O-CA 3.27Å
23K85.2Confident94.4Very high56 Ų5620.2 Ų20.224%0.24313%0.134CC..SBendtrans-152.9160.817761.4165174.6-178.90111.9S21 V26 D169S21-K23 VanDerWaalsContact C-N 3.26Å; S21-K23 PolarHBondContact O-N 3.15Å; S21-K23 PolarHBondContact OG-O 2.83Å; K23-V26 HydrophobicContact CD-CG1 4.28Å; K23-V26 HydrophobicContact CG-CG1 3.74Å; K23-D169 VanDerWaalsContact CD-OD2 3.28Å; K23-D169 WeakPolarHBondContact CD-OD2 3.23Å; K23-D169 HydrophobicContact CG-CB 4.43Å
24G86.1Confident94.5Very high50 Ų5019.4 Ų19.452%0.51513%0.13SC..THydrogen-bonded Turntrans-67.1157.1171.300000112.7V26G24-V26 PolarHBondContact O-N 2.84Å
25G87.6Confident94.6Very high74 Ų7414.2 Ų14.276%0.76311%0.11SC*.THydrogen-bonded Turntrans81.83.1173.400000116.3G27G25-G27 PolarHBondContact O-N 2.88Å
26V91.3Very high94.7Very high3 Ų313.3 Ų13.32%0.01811%0.106CC..SBendtrans-79.6-2.6175.5-58.60000113.9S21 K23 G24 K28 V159 T161 N190S21-V26 VanDerWaalsContact CB-CG2 3.45Å; K23-V26 HydrophobicContact CD-CG1 4.28Å; K23-V26 HydrophobicContact CG-CG1 3.74Å; G24-V26 PolarHBondContact O-N 2.84Å; V26-K28 HydrophobicContact CG2-CB 4.35Å; V26-V159 HydrophobicContact CG2-CB 4.36Å; V26-V159 HydrophobicContact CG2-CG1 4.05Å; V26-T161 HydrophobicContact CB-CG2 3.98Å; V26-T161 HydrophobicContact CG1-CG2 4.12Å; V26-N190 PolarHBondContact O-ND2 3.32Å
27G93.6Very high94.8Very high15 Ų1513.5 Ų13.516%0.15511%0.107CC..  trans77.632.1-175.100000114G25 S29 T30 I31G25-G27 PolarHBondContact O-N 2.88Å; G27-S29 PolarHBondContact O-N 2.52Å; G27-T30 WeakPolarHBondContact O-CB 3.38Å; G27-T30 PolarHBondContact O-N 2.99Å; G27-I31 PolarHBondContact O-N 3.1Å; G27-I31 VanDerWaalsContact O-N 3.08Å
28K94.9Very high94.8Very high9 Ų913.9 Ų13.94%0.03911%0.11CC..Hα-helixtrans-50.2-55.2173.5-177.5-168.238.578.70111.5V19 S21 V26 T30 I31 S32 D52 D132 T133V19-K28 HydrophobicContact CG1-CG 3.87Å; V19-K28 WeakPolarHBondContact O-CD 3.24Å; S21-K28 WeakPolarHBondContact OG-CD 3.5Å; V26-K28 HydrophobicContact CG2-CB 4.35Å; K28-T30 VanDerWaalsContact C-N 3.29Å; K28-T30 PolarHBondContact O-N 2.84Å; K28-I31 PolarHBondContact O-N 3.38Å; K28-S32 PolarHBondContact O-N 3.01Å; K28-S32 PolarHBondContact O-OG 2.84Å; K28-S32 VanDerWaalsContact O-OG 3.11Å; K28-D52 IonicContact NZ-OD2 3.78Å; K28-D52 PolarHBondContact NZ-OD2 2.81Å; K28-D132 WeakPolarHBondContact CD-OD1 3.46Å; K28-D132 VanDerWaalsContact CG-OD1 3.32Å; K28-D132 WeakPolarHBondContact CG-OD1 3.38Å; K28-D132 IonicContact NZ-OD1 3.43Å; K28-D132 PolarHBondContact NZ-OD1 3.37Å; K28-D132 IonicContact NZ-OD2 3.99Å; K28-D132 PolarHBondContact NZ-OD2 3.37Å; K28-T133 VanDerWaalsContact CD-O 3.3Å; K28-T133 WeakPolarHBondContact CD-O 3.47Å; K28-T133 WeakPolarHBondContact CE-O 3.42Å; K28-T133 PolarHBondContact NZ-O 2.83Å
29S96.3Very high94.8Very high12 Ų1213.8 Ų13.88%0.08411%0.11CC..Hα-helixtrans-64.3-31.3-179-48.80000113.1G27 S32 T33 S57 D132G27-S29 PolarHBondContact O-N 2.52Å; S29-S32 PolarHBondContact O-N 3.3Å; S29-T33 WeakPolarHBondContact O-CB 3.31Å; S29-T33 PolarHBondContact O-N 2.77Å; S29-T33 PolarHBondContact O-OG1 2.93Å; S29-T33 VanDerWaalsContact O-OG1 3.04Å; S29-S57 WeakPolarHBondContact CB-OG 3.1Å; S29-S57 PolarHBondContact OG-OG 3.14Å; S29-D132 WeakPolarHBondContact CB-OD2 3.45Å; S29-D132 PolarHBondContact OG-OD2 2.9Å
30T97.3Very high94.8Very high24 Ų2416.6 Ų16.615%0.14712%0.12CC..Hα-helixtrans-60.3-50170.2-62.50000110.9G27 K28 S32 T33 E34 L232 L236G27-T30 WeakPolarHBondContact O-CB 3.38Å; G27-T30 PolarHBondContact O-N 2.99Å; K28-T30 VanDerWaalsContact C-N 3.29Å; K28-T30 PolarHBondContact O-N 2.84Å; T30-S32 VanDerWaalsContact C-N 3.32Å; T30-S32 PolarHBondContact O-N 3.21Å; T30-T33 PolarHBondContact O-N 2.81Å; T30-E34 HydrophobicContact CG2-CG 4.44Å; T30-E34 WeakPolarHBondContact O-CB 3.47Å; T30-E34 WeakPolarHBondContact O-CG 3.38Å; T30-E34 PolarHBondContact O-N 2.7Å; T30-L232 HydrophobicContact CG2-CD2 4.14Å; T30-L236 HydrophobicContact CG2-CD1 3.52Å
31I98Very high94.9Very high5 Ų520.5 Ų20.53%0.02614%0.139CC..Hα-helixtrans-63.9-38.4177.3-60.5-56.9000111.2G27 K28 L35 V159 V188 N190 V226 L255G27-I31 PolarHBondContact O-N 3.1Å; G27-I31 VanDerWaalsContact O-N 3.08Å; K28-I31 PolarHBondContact O-N 3.38Å; I31-L35 WeakPolarHBondContact O-CB 3.41Å; I31-L35 PolarHBondContact O-N 3.25Å; I31-V159 HydrophobicContact CB-CG2 3.95Å; I31-V159 HydrophobicContact CG1-CG1 3.88Å; I31-V159 HydrophobicContact CG1-CG2 4.13Å; I31-V159 HydrophobicContact CG2-CG2 3.97Å; I31-V188 HydrophobicContact CD1-CG1 4.08Å; I31-V188 HydrophobicContact CG1-CG1 4.31Å; I31-V188 HydrophobicContact CG2-CG1 4.42Å; I31-N190 HydrophobicContact CD1-CB 4.41Å; I31-N190 HydrophobicContact CG1-CB 4.41Å; I31-V226 HydrophobicContact CD1-CB 4.34Å; I31-V226 HydrophobicContact CD1-CG2 3.9Å; I31-L255 HydrophobicContact CD1-CD2 4.29Å
32S98.3Very high95.1Very high0 Ų022.9 Ų22.90%016%0.158CC..Hα-helixtrans-59-49.1174.8-58.20000112V19 K28 S29 T30 A36 D132V19-S32 VanDerWaalsContact CB-OG 3.25Å; V19-S32 WeakPolarHBondContact CB-OG 3.37Å; V19-S32 WeakPolarHBondContact CG1-OG 3.33Å; V19-S32 WeakPolarHBondContact CG2-OG 3.32Å; K28-S32 PolarHBondContact O-N 3.01Å; K28-S32 PolarHBondContact O-OG 2.84Å; K28-S32 VanDerWaalsContact O-OG 3.11Å; S29-S32 PolarHBondContact O-N 3.3Å; T30-S32 VanDerWaalsContact C-N 3.32Å; T30-S32 PolarHBondContact O-N 3.21Å; S32-A36 PolarHBondContact O-N 3.07Å; S32-A36 VanDerWaalsContact O-N 3.09Å; S32-D132 PolarHBondContact OG-OD1 3.21Å
33T98.4Very high95.5Very high0 Ų025.3 Ų25.30%018%0.183CC..Hα-helixtrans-62.6-52178.1-64.50000111.7S29 T30 L35 A36 L37 M61 F62 L236S29-T33 WeakPolarHBondContact O-CB 3.31Å; S29-T33 PolarHBondContact O-N 2.77Å; S29-T33 PolarHBondContact O-OG1 2.93Å; S29-T33 VanDerWaalsContact O-OG1 3.04Å; T30-T33 PolarHBondContact O-N 2.81Å; T33-L35 VanDerWaalsContact C-N 3.31Å; T33-L35 PolarHBondContact O-N 2.98Å; T33-A36 PolarHBondContact O-N 3.06Å; T33-A36 VanDerWaalsContact O-N 3.14Å; T33-L37 HydrophobicContact CG2-CD1 4.14Å; T33-L37 PolarHBondContact O-N 3.32Å; T33-M61 HydrophobicContact CG2-CB 4.07Å; T33-M61 PolarHBondContact OG1-SD 3.32Å; T33-F62 HydrophobicContact CG2-CD2 4.42Å; T33-F62 HydrophobicContact CG2-CE1 4.11Å; T33-F62 HydrophobicContact CG2-CE2 3.89Å; T33-F62 HydrophobicContact CG2-CZ 3.74Å; T33-L236 HydrophobicContact CG2-CD2 3.86Å
34E98.4Very high96.1Very high0 Ų025.9 Ų25.90%019%0.186CC..Hα-helixtrans-66.8-33.6-177.4-68.7-55129.100112.4T30 A38 L232 I243 L255T30-E34 HydrophobicContact CG2-CG 4.44Å; T30-E34 WeakPolarHBondContact O-CB 3.47Å; T30-E34 WeakPolarHBondContact O-CG 3.38Å; T30-E34 PolarHBondContact O-N 2.7Å; E34-A38 VanDerWaalsContact O-CB 3.23Å; E34-A38 WeakPolarHBondContact O-CB 3.24Å; E34-A38 PolarHBondContact O-N 3.13Å; E34-L232 VanDerWaalsContact CD-CD1 3.48Å; E34-L232 HydrophobicContact CG-CD1 3.8Å; E34-L232 WeakPolarHBondContact OE1-CD1 3.4Å; E34-I243 WeakPolarHBondContact OE2-CG1 3.48Å; E34-L255 HydrophobicContact CB-CD1 3.9Å; E34-L255 HydrophobicContact CB-CD2 3.73Å; E34-L255 HydrophobicContact CB-CG 4.34Å; E34-L255 HydrophobicContact CG-CD1 3.78Å; E34-L255 HydrophobicContact CG-CD2 4.22Å
35L98.6Very high96.7Very high9 Ų926.9 Ų26.95%0.04718%0.176CC..Hα-helixtrans-63.4-46.1171.7176.662.1000111.2I17 I31 T33 L37 A38 L39 V130 L157 A259 I262I17-L35 HydrophobicContact CG2-CD2 4.4Å; I31-L35 WeakPolarHBondContact O-CB 3.41Å; I31-L35 PolarHBondContact O-N 3.25Å; T33-L35 VanDerWaalsContact C-N 3.31Å; T33-L35 PolarHBondContact O-N 2.98Å; L35-L37 VanDerWaalsContact C-N 3.34Å; L35-L37 PolarHBondContact O-N 3.44Å; L35-A38 PolarHBondContact O-N 3.18Å; L35-L39 HydrophobicContact CD1-CD1 4.02Å; L35-L39 HydrophobicContact CD1-CG 4.02Å; L35-L39 HydrophobicContact CG-CD1 3.95Å; L35-L39 HydrophobicContact CG-CG 4.38Å; L35-L39 WeakPolarHBondContact O-CB 3.42Å; L35-L39 VanDerWaalsContact O-CG 3.25Å; L35-L39 WeakPolarHBondContact O-CG 3.35Å; L35-L39 PolarHBondContact O-N 2.83Å; L35-V130 HydrophobicContact CD2-CG1 4.4Å; L35-V130 HydrophobicContact CD2-CG2 4.26Å; L35-V130 HydrophobicContact CG-CG2 4.39Å; L35-L157 HydrophobicContact CD2-CD1 3.33Å; L35-A259 HydrophobicContact CD1-CB 4.12Å; L35-I262 HydrophobicContact CD1-CD1 3.46Å; L35-I262 VanDerWaalsContact CD1-CD1 3.46Å; L35-I262 HydrophobicContact CD2-CD1 4.04Å; L35-I262 HydrophobicContact CG-CD1 4.41Å
36A98.5Very high97.2Very high0 Ų023.4 Ų23.40%014%0.14CC..Hα-helixtrans-62.1-4317900000111.6S32 T33 L39 R40 V46 I48 F62 I87 V130S32-A36 PolarHBondContact O-N 3.07Å; S32-A36 VanDerWaalsContact O-N 3.09Å; T33-A36 PolarHBondContact O-N 3.06Å; T33-A36 VanDerWaalsContact O-N 3.14Å; A36-L39 PolarHBondContact O-N 2.96Å; A36-R40 WeakPolarHBondContact O-CB 3.35Å; A36-R40 PolarHBondContact O-N 3.13Å; A36-V46 HydrophobicContact CB-CG1 3.84Å; A36-I48 HydrophobicContact CB-CD1 4.25Å; A36-F62 HydrophobicContact CB-CZ 4.45Å; A36-I87 HydrophobicContact CB-CD1 4.2Å; A36-V130 HydrophobicContact CB-CG2 4.28Å
37L98.4Very high97.6Very high10 Ų1023.2 Ų23.25%0.05214%0.139CC..Hα-helixtrans-62.3-47174-72.9174.3000111.9T33 L35 L39 R40 H41 F62 I87 I243T33-L37 HydrophobicContact CG2-CD1 4.14Å; T33-L37 PolarHBondContact O-N 3.32Å; L35-L37 VanDerWaalsContact C-N 3.34Å; L35-L37 PolarHBondContact O-N 3.44Å; L37-L39 PolarHBondContact O-N 3.26Å; L37-R40 WeakPolarHBondContact O-CB 3.34Å; L37-R40 PolarHBondContact O-N 3.03Å; L37-H41 PolarHBondContact O-CD2 3.45Å; L37-H41 PolarHBondContact O-N 2.99Å; L37-F62 HydrophobicContact CD1-CE1 4.4Å; L37-F62 HydrophobicContact CD2-CE1 3.75Å; L37-F62 HydrophobicContact CG-CE1 3.89Å; L37-F62 HydrophobicContact CG-CZ 4.46Å; L37-I87 HydrophobicContact CD2-CD1 4.41Å; L37-I243 HydrophobicContact CB-CG1 4.25Å
38A98.3Very high97.8Very high7 Ų722.5 Ų22.56%0.05813%0.131CC..Hα-helixtrans-63.3-39.8179.300000112.5E34 L35 H41 A42 A259E34-A38 VanDerWaalsContact O-CB 3.23Å; E34-A38 WeakPolarHBondContact O-CB 3.24Å; E34-A38 PolarHBondContact O-N 3.13Å; L35-A38 PolarHBondContact O-N 3.18Å; A38-H41 PolarHBondContact O-N 3.01Å; A38-A42 PolarHBondContact O-N 2.82Å; A38-A259 HydrophobicContact CB-CB 3.55Å
39L98.3Very high97.9Very high0 Ų022.1 Ų22.10%013%0.13CC..Hα-helixtrans-64.4-42.5174.2-71.2172.4000111.4L35 A36 L37 A42 K44 V46 Y128 V130 L263L35-L39 HydrophobicContact CD1-CD1 4.02Å; L35-L39 HydrophobicContact CD1-CG 4.02Å; L35-L39 HydrophobicContact CG-CD1 3.95Å; L35-L39 HydrophobicContact CG-CG 4.38Å; L35-L39 WeakPolarHBondContact O-CB 3.42Å; L35-L39 VanDerWaalsContact O-CG 3.25Å; L35-L39 WeakPolarHBondContact O-CG 3.35Å; L35-L39 PolarHBondContact O-N 2.83Å; A36-L39 PolarHBondContact O-N 2.96Å; L37-L39 PolarHBondContact O-N 3.26Å; L39-A42 CarbonylContact O-C 3.56Å; L39-A42 WeakPolarHBondContact O-CA 3.38Å; L39-A42 WeakPolarHBondContact O-CB 3.44Å; L39-A42 PolarHBondContact O-N 2.87Å; L39-A42 VanDerWaalsContact O-N 3.13Å; L39-K44 HydrophobicContact CB-CB 4.48Å; L39-K44 VanDerWaalsContact O-CB 3.24Å; L39-K44 WeakPolarHBondContact O-CB 3.34Å; L39-K44 WeakPolarHBondContact O-CG 3.38Å; L39-K44 PolarHBondContact O-N 3.26Å; L39-K44 VanDerWaalsContact O-N 3.15Å; L39-V46 HydrophobicContact CB-CG2 3.77Å; L39-Y128 HydrophobicContact CD1-CD1 4.12Å; L39-Y128 HydrophobicContact CD1-CD2 4.34Å; L39-Y128 HydrophobicContact CD1-CG 3.89Å; L39-Y128 HydrophobicContact CD2-CD2 4.35Å; L39-Y128 HydrophobicContact CD2-CE2 4.31Å; L39-V130 HydrophobicContact CD1-CG2 4.2Å; L39-L263 HydrophobicContact CD2-CD1 4.38Å; L39-L263 HydrophobicContact CD2-CD2 3.57Å; L39-L263 HydrophobicContact CD2-CG 3.83Å
40R98.1Very high97.8Very high58 Ų5821.5 Ų21.522%0.21913%0.126CC..Hα-helixtrans-60.3-46.5174.5-178.4-151.2170.6-134.61.5111.7A36 L37 A42 G43 K44 V46 D82 S86 I87 D241A36-R40 WeakPolarHBondContact O-CB 3.35Å; A36-R40 PolarHBondContact O-N 3.13Å; L37-R40 WeakPolarHBondContact O-CB 3.34Å; L37-R40 PolarHBondContact O-N 3.03Å; R40-A42 PolarHBondContact O-N 2.79Å; R40-G43 WeakPolarHBondContact O-CA 3.39Å; R40-G43 PolarHBondContact O-N 2.91Å; R40-K44 WeakPolarHBondContact CA-O 3.24Å; R40-V46 HydrophobicContact CB-CG2 4.3Å; R40-D82 IonicContact CZ-OD2 3.06Å; R40-D82 IonicContact NE-OD2 3.87Å; R40-D82 PolarHBondContact NE-OD2 3.4Å; R40-D82 VanDerWaalsContact NE-OD2 3.1Å; R40-D82 IonicContact NH2-OD2 2.58Å; R40-D82 PolarHBondContact NH2-OD2 3.48Å; R40-S86 WeakPolarHBondContact CG-OG 3.42Å; R40-S86 PolarHBondContact NE-OG 3.29Å; R40-I87 HydrophobicContact CG-CB 4.39Å; R40-D241 IonicContact NH1-OD2 3.8Å; R40-D241 PolarHBondContact NH1-OD2 3.23Å
41H97.2Very high97.5Very high83 Ų8320.4 Ų20.438%0.38412%0.119SC..Hα-helixtrans-63.9-23.4175.5-77.4-62.4000113.2L37 A38 G43 D241 I243L37-H41 PolarHBondContact O-CD2 3.45Å; L37-H41 PolarHBondContact O-N 2.99Å; A38-H41 PolarHBondContact O-N 3.01Å; H41-G43 PolarHBondContact O-N 2.9Å; H41-D241 IonicContact CD2-OD1 2.91Å; H41-D241 IonicContact CD2-OD2 2.79Å; H41-D241 IonicContact CE1-OD1 3.38Å; H41-D241 IonicContact CE1-OD2 3.1Å; H41-D241 PolarHBondContact CE1-OD2 3.5Å; H41-D241 VanDerWaalsContact CE1-OD2 3.26Å; H41-D241 IonicContact NE2-OD1 2.81Å; H41-D241 PolarHBondContact NE2-OD1 3.43Å; H41-D241 IonicContact NE2-OD2 3.36Å; H41-D241 PolarHBondContact NE2-OD2 3.21Å; H41-I243 HydrophobicContact CB-CG2 4.35Å; H41-I243 WeakPolarHBondContact CD2-CG2 3.44Å
42A96.8Very high96.9Very high50 Ų5021.2 Ų21.241%0.41312%0.123SC..THydrogen-bonded Turntrans-80.211.8168.900000113.7A38 L39 R40 L263A38-A42 PolarHBondContact O-N 2.82Å; L39-A42 CarbonylContact O-C 3.56Å; L39-A42 WeakPolarHBondContact O-CA 3.38Å; L39-A42 WeakPolarHBondContact O-CB 3.44Å; L39-A42 PolarHBondContact O-N 2.87Å; L39-A42 VanDerWaalsContact O-N 3.13Å; R40-A42 PolarHBondContact O-N 2.79Å; A42-L263 HydrophobicContact CB-CD1 3.72Å
43G96.5Very high96Very high66 Ų6621.3 Ų21.368%0.6812%0.123SC*.THydrogen-bonded Turntrans79.419.7176.300000114.5R40 H41R40-G43 WeakPolarHBondContact O-CA 3.39Å; R40-G43 PolarHBondContact O-N 2.91Å; H41-G43 PolarHBondContact O-N 2.9Å
44K97.8Very high94.8Very high69 Ų6925.4 Ų25.430%0.315%0.151SC..  trans-92.9148.1178.6-54.3-56.6178.7-174.40111.5L39 R40 V46 D127 Y128 L263L39-K44 HydrophobicContact CB-CB 4.48Å; L39-K44 VanDerWaalsContact O-CB 3.24Å; L39-K44 WeakPolarHBondContact O-CB 3.34Å; L39-K44 WeakPolarHBondContact O-CG 3.38Å; L39-K44 PolarHBondContact O-N 3.26Å; L39-K44 VanDerWaalsContact O-N 3.15Å; R40-K44 WeakPolarHBondContact CA-O 3.24Å; K44-V46 HydrophobicContact CB-CG2 4.09Å; K44-D127 WeakPolarHBondContact CA-OD2 3.46Å; K44-D127 HydrophobicContact CB-CB 4.02Å; K44-D127 HydrophobicContact CD-CB 4.19Å; K44-Y128 HydrophobicContact CB-CD2 3.99Å; K44-Y128 HydrophobicContact CB-CE2 4.32Å; K44-Y128 HydrophobicContact CD-CE2 4.05Å; K44-Y128 HydrophobicContact CG-CD2 4.01Å; K44-Y128 HydrophobicContact CG-CE2 3.83Å; K44-L263 HydrophobicContact CG-CD2 4.23Å
45K98.3Very high93.8Very high71 Ų7127.3 Ų27.331%0.30917%0.171SC..  trans-87.3120.7168.2-165.6173.5170.6-154.30109.9Q85 S86 E125 L126 D127 Y128K45-Q85 VanDerWaalsContact CE-O 3.24Å; K45-Q85 WeakPolarHBondContact CE-O 3.32Å; K45-S86 CarbonylContact C-O 3.57Å; K45-S86 WeakPolarHBondContact CA-O 3.37Å; K45-E125 WeakPolarHBondContact CD-O 3.42Å; K45-E125 VanDerWaalsContact CE-O 3.25Å; K45-E125 WeakPolarHBondContact CE-O 3.3Å; K45-E125 PolarHBondContact NZ-O 3.49Å; K45-L126 HydrophobicContact CD-CD2 4.35Å; K45-L126 HydrophobicContact CG-CD2 3.89Å; K45-D127 PolarHBondContact N-OD2 3.45Å; K45-D127 PolarHBondContact O-N 3.24Å; K45-Y128 PolarHBondContact O-N 3.11Å
46V98.6Very high92.9Very high0 Ų028.6 Ų28.60%018%0.179CC..EExtended strand (participates in β ladder)trans-123.1131.6-165.1-172.60000111.9A36 L39 R40 K44 S86 I87 S88 Y128 V130A36-V46 HydrophobicContact CB-CG1 3.84Å; L39-V46 HydrophobicContact CB-CG2 3.77Å; R40-V46 HydrophobicContact CB-CG2 4.3Å; K44-V46 HydrophobicContact CB-CG2 4.09Å; V46-S86 PolarHBondContact N-O 2.97Å; V46-I87 HydrophobicContact CB-CG1 4.39Å; V46-I87 CarbonylContact O-C 3.57Å; V46-I87 VanDerWaalsContact O-CA 3.24Å; V46-I87 WeakPolarHBondContact O-CA 3.45Å; V46-S88 PolarHBondContact O-N 2.89Å; V46-Y128 CarbonylContact C-O 3.54Å; V46-Y128 WeakPolarHBondContact CA-O 3.43Å; V46-V130 HydrophobicContact CG1-CG2 4.32Å
47G98.5Very high92.4Very high0 Ų030.2 Ų30.20%019%0.191CC..EExtended strand (participates in β ladder)trans-100.6146.1162.500000110S88 Y128 L129 V130G47-S88 CarbonylContact C-O 3.57Å; G47-S88 WeakPolarHBondContact CA-O 3.44Å; G47-Y128 PolarHBondContact N-O 3.3Å; G47-L129 CarbonylContact O-C 3.43Å; G47-L129 WeakPolarHBondContact O-CA 3.39Å; G47-V130 PolarHBondContact O-N 3.35Å
48I98.2Very high92.3Very high0 Ų029.7 Ų29.70%019%0.188CC..EExtended strand (participates in β ladder)trans-124.5123.5166179.2151.1000109.9A36 I58 F62 S88 L89 M90 W123 V130A36-I48 HydrophobicContact CB-CD1 4.25Å; I48-I58 HydrophobicContact CD1-CD1 3.81Å; I48-I58 HydrophobicContact CD1-CG1 4.48Å; I48-I58 HydrophobicContact CD1-CG2 3.94Å; I48-I58 HydrophobicContact CG1-CD1 4.07Å; I48-I58 HydrophobicContact CG1-CG2 4.15Å; I48-F62 HydrophobicContact CD1-CE2 4.12Å; I48-F62 HydrophobicContact CG2-CE2 3.9Å; I48-F62 HydrophobicContact CG2-CZ 4.31Å; I48-S88 WeakPolarHBondContact CG2-O 3.39Å; I48-S88 PolarHBondContact N-O 2.94Å; I48-L89 HydrophobicContact CB-CD1 4.44Å; I48-L89 HydrophobicContact CG1-CD1 4.37Å; I48-L89 HydrophobicContact CG2-CB 3.85Å; I48-L89 HydrophobicContact CG2-CD1 3.6Å; I48-L89 HydrophobicContact CG2-CG 4.24Å; I48-L89 WeakPolarHBondContact O-CA 3.46Å; I48-L89 WeakPolarHBondContact O-CD1 3.27Å; I48-M90 PolarHBondContact O-N 3.38Å; I48-W123 WeakPolarHBondContact O-CH2 3.42Å; I48-V130 CarbonylContact C-O 3.55Å; I48-V130 VanDerWaalsContact CA-O 3.3Å; I48-V130 WeakPolarHBondContact CA-O 3.05Å
49L97.3Very high92.1Very high0 Ų029.7 Ų29.70%019%0.188CC..EExtended strand (participates in β ladder)trans-110.3111.9178.3173.657.9000109.2V51 M90 F117 W123 L129 V130 V131 D132L49-V51 HydrophobicContact CD1-CG1 4.02Å; L49-V51 HydrophobicContact CD2-CG1 4.11Å; L49-V51 HydrophobicContact CG-CG1 3.85Å; L49-M90 HydrophobicContact CD1-CB 4.05Å; L49-M90 HydrophobicContact CD1-CG 4.16Å; L49-F117 HydrophobicContact CD1-CB 3.8Å; L49-F117 HydrophobicContact CD1-CD2 4.19Å; L49-F117 HydrophobicContact CD1-CG 4.02Å; L49-F117 HydrophobicContact CD2-CB 4.46Å; L49-W123 HydrophobicContact CB-CH2 4.21Å; L49-W123 HydrophobicContact CB-CZ2 3.91Å; L49-W123 HydrophobicContact CD1-CZ2 4.28Å; L49-W123 HydrophobicContact CG-CZ2 4.5Å; L49-L129 HydrophobicContact CB-CD1 4.1Å; L49-V130 PolarHBondContact N-O 2.92Å; L49-V131 HydrophobicContact CB-CG1 4.49Å; L49-V131 HydrophobicContact CB-CG2 4.34Å; L49-V131 HydrophobicContact CD2-CG1 4.29Å; L49-V131 HydrophobicContact CD2-CG2 4.44Å; L49-V131 HydrophobicContact CG-CG1 4.37Å; L49-V131 CarbonylContact O-C 3.54Å; L49-V131 WeakPolarHBondContact O-CA 3.11Å; L49-D132 PolarHBondContact O-N 2.95Å
50D94.8Very high91.8Very high0 Ų035.5 Ų35.50%021%0.209CC..EExtended strand (participates in β ladder)trans-94.1105.3175.3176.815.4000110D52 P56 I58 M90 S91D50-D52 PolarHBondContact OD1-N 2.83Å; D50-D52 VanDerWaalsContact OD1-N 3.1Å; D50-P56 WeakPolarHBondContact OD2-CA 3.29Å; D50-P56 WeakPolarHBondContact OD2-CB 3.47Å; D50-I58 HydrophobicContact CB-CB 4.16Å; D50-I58 HydrophobicContact CB-CD1 3.75Å; D50-I58 HydrophobicContact CB-CG1 4.4Å; D50-M90 PolarHBondContact N-O 3.08Å; D50-S91 PolarHBondContact OD2-OG 2.76Å
51V89.8Confident91.7Very high1 Ų134 Ų341%0.00621%0.205CC..  trans-107.111.2176.5-71.90000111.7L49 L53 F117 V131 D132 P134 T144L49-V51 HydrophobicContact CD1-CG1 4.02Å; L49-V51 HydrophobicContact CD2-CG1 4.11Å; L49-V51 HydrophobicContact CG-CG1 3.85Å; V51-L53 PolarHBondContact O-N 3.2Å; V51-F117 HydrophobicContact CG1-CD2 4.11Å; V51-V131 HydrophobicContact CG2-CG1 3.92Å; V51-D132 WeakPolarHBondContact CG2-O 3.49Å; V51-D132 PolarHBondContact N-O 2.85Å; V51-D132 VanDerWaalsContact N-O 3.17Å; V51-P134 WeakPolarHBondContact O-CG 3.37Å; V51-T144 HydrophobicContact CG2-CG2 3.87Å
52D86.1Confident91.7Very high21 Ų2131.3 Ų31.311%0.11219%0.193CC..  trans-7875.7173.6-162.6-13.9000110.4K28 D50 C54 G55K28-D52 IonicContact NZ-OD2 3.78Å; K28-D52 PolarHBondContact NZ-OD2 2.81Å; D50-D52 PolarHBondContact OD1-N 2.83Å; D50-D52 VanDerWaalsContact OD1-N 3.1Å; D52-C54 PolarHBondContact O-N 2.81Å; D52-G55 CarbonylContact O-C 3.49Å; D52-G55 PolarHBondContact O-N 2.78Å
53L79.9Confident91.6Very high2 Ų231.4 Ų31.41%0.0120%0.198CC..THydrogen-bonded Turntrans-61.1-22.6-168.3-59.2-179.8000114.5V51 V92 V103 K110 L113 I114 F117V51-L53 PolarHBondContact O-N 3.2Å; L53-V92 HydrophobicContact CD2-CB 3.56Å; L53-V92 HydrophobicContact CD2-CG1 3.81Å; L53-V92 HydrophobicContact CD2-CG2 3.84Å; L53-V103 WeakPolarHBondContact O-CB 3.49Å; L53-V103 WeakPolarHBondContact O-CG2 3.38Å; L53-K110 HydrophobicContact CD1-CB 3.55Å; L53-K110 HydrophobicContact CD1-CD 4.23Å; L53-K110 HydrophobicContact CD1-CG 3.72Å; L53-L113 HydrophobicContact CD2-CD2 3.94Å; L53-I114 HydrophobicContact CD1-CD1 4.17Å; L53-I114 HydrophobicContact CD1-CG1 4.15Å; L53-F117 HydrophobicContact CD2-CE2 4.25Å
54C73.6Confident91.5Very high87 Ų8728.4 Ų28.459%0.58817%0.167SC*.THydrogen-bonded Turntrans-90.1-14.4-173.8-65.50000113D52 K110D52-C54 PolarHBondContact O-N 2.81Å; C54-K110 PolarHBondContact SG-NZ 2.99Å; C54-K110 VanDerWaalsContact SG-NZ 3.35Å
55G75.9Confident91Very high39 Ų3929.9 Ų29.940%0.40218%0.175SC..SBendtrans-16060.1-177.400000112D52 S57D52-G55 CarbonylContact O-C 3.49Å; D52-G55 PolarHBondContact O-N 2.78Å; G55-S57 PolarHBondContact O-N 3.1Å
56P80Confident90.3Very high36 Ų3630.3 Ų30.323%0.23420%0.199CC..  trans-62.9109.7-177.828.1-35.9000109.8D50 V92 L96D50-P56 WeakPolarHBondContact OD2-CA 3.29Å; D50-P56 WeakPolarHBondContact OD2-CB 3.47Å; P56-V92 HydrophobicContact CB-CG1 3.77Å; P56-V92 HydrophobicContact CG-CG1 3.84Å; P56-L96 HydrophobicContact CG-CD1 4.42Å
57S88.6Confident89.9Confident34 Ų3435.5 Ų35.524%0.23822%0.219CC..  trans-106.3-22.4-176.862.30000112.8S29 G55 R60 M61S29-S57 WeakPolarHBondContact CB-OG 3.1Å; S29-S57 PolarHBondContact OG-OG 3.14Å; G55-S57 PolarHBondContact O-N 3.1Å; S57-R60 WeakPolarHBondContact O-CB 3.42Å; S57-R60 PolarHBondContact O-N 3.03Å; S57-R60 VanDerWaalsContact O-N 3.13Å; S57-M61 WeakPolarHBondContact O-CG 3.47Å; S57-M61 PolarHBondContact O-N 3.49Å; S57-M61 VanDerWaalsContact O-N 3.09Å
58I95.6Very high89.1Confident0 Ų038.1 Ų38.10%024%0.24CC..Hα-helixtrans-64.2-41-172.3-66.7170.6000113I48 D50 R60 M61 F62 L89 D132I48-I58 HydrophobicContact CD1-CD1 3.81Å; I48-I58 HydrophobicContact CD1-CG1 4.48Å; I48-I58 HydrophobicContact CD1-CG2 3.94Å; I48-I58 HydrophobicContact CG1-CD1 4.07Å; I48-I58 HydrophobicContact CG1-CG2 4.15Å; D50-I58 HydrophobicContact CB-CB 4.16Å; D50-I58 HydrophobicContact CB-CD1 3.75Å; D50-I58 HydrophobicContact CB-CG1 4.4Å; I58-R60 PolarHBondContact O-N 3.25Å; I58-M61 PolarHBondContact O-N 3.4Å; I58-M61 VanDerWaalsContact O-N 3.09Å; I58-F62 HydrophobicContact CG2-CD2 3.51Å; I58-F62 HydrophobicContact CG2-CE2 3.52Å; I58-F62 WeakPolarHBondContact O-CD2 3.23Å; I58-F62 PolarHBondContact O-N 3.26Å; I58-F62 VanDerWaalsContact O-N 3.12Å; I58-L89 HydrophobicContact CB-CD1 4.36Å; I58-L89 HydrophobicContact CG2-CD1 3.49Å; I58-L89 VanDerWaalsContact CG2-CD1 3.49Å; I58-L89 HydrophobicContact CG2-CD2 3.99Å; I58-L89 HydrophobicContact CG2-CG 4.43Å; I58-D132 HydrophobicContact CD1-CB 3.33Å; I58-D132 WeakPolarHBondContact CD1-OD2 3.4Å
59P94.2Very high88.7Confident7 Ų739.4 Ų39.45%0.04525%0.248CC..Hα-helixtrans-55.6-36.2174.1-29.637.8000113.9G63 A64 Q65 L89 S91 F94P59-G63 PolarHBondContact O-N 2.86Å; P59-A64 CarbonylContact O-C 3.59Å; P59-A64 WeakPolarHBondContact O-CA 3.36Å; P59-A64 PolarHBondContact O-N 2.85Å; P59-Q65 HydrophobicContact CB-CG 4.49Å; P59-Q65 PolarHBondContact O-N 2.82Å; P59-L89 HydrophobicContact CG-CD2 4.4Å; P59-S91 VanDerWaalsContact CG-CB 3.42Å; P59-S91 VanDerWaalsContact CG-OG 3.32Å; P59-S91 WeakPolarHBondContact CG-OG 3.36Å; P59-F94 HydrophobicContact CB-CD1 4.47Å; P59-F94 HydrophobicContact CB-CE1 3.8Å; P59-F94 HydrophobicContact CB-CZ 4.24Å; P59-F94 HydrophobicContact CG-CE1 4.06Å; P59-F94 HydrophobicContact CG-CZ 4.22Å
60R93.2Very high88.2Confident121 Ų12145.6 Ų45.646%0.45728%0.277SS..Hα-helixtrans-70.2-45.6174.6-176.2175.3172.1164.6-5.3111.6S57 I58 F62 G63 Q65S57-R60 WeakPolarHBondContact O-CB 3.42Å; S57-R60 PolarHBondContact O-N 3.03Å; S57-R60 VanDerWaalsContact O-N 3.13Å; I58-R60 PolarHBondContact O-N 3.25Å; R60-F62 PolarHBondContact O-N 3.12Å; R60-F62 VanDerWaalsContact O-N 3.13Å; R60-G63 PolarHBondContact O-N 3.26Å; R60-Q65 HydrophobicContact CB-CG 4.02Å
61M96.1Very high88Confident26 Ų2653.5 Ų53.513%0.12831%0.314CS..Hα-helixtrans-59.9-23.6-179.7-65.9178.7176.200114T33 S57 I58 L236 G239T33-M61 HydrophobicContact CG2-CB 4.07Å; T33-M61 PolarHBondContact OG1-SD 3.32Å; S57-M61 WeakPolarHBondContact O-CG 3.47Å; S57-M61 PolarHBondContact O-N 3.49Å; S57-M61 VanDerWaalsContact O-N 3.09Å; I58-M61 PolarHBondContact O-N 3.4Å; I58-M61 VanDerWaalsContact O-N 3.09Å; M61-L236 WeakPolarHBondContact CA-O 3.33Å; M61-L236 HydrophobicContact CB-CD2 3.88Å; M61-L236 HydrophobicContact CG-CB 4.25Å; M61-L236 HydrophobicContact CG-CD2 3.93Å; M61-L236 HydrophobicContact SD-CD2 4.11Å; M61-G239 WeakPolarHBondContact O-CA 3.23Å
62F96.5Very high87.9Confident28 Ų2856 Ų5612%0.12333%0.331CS..THydrogen-bonded Turntrans-100.97173.9-75.9-70.4000114.5T33 A36 L37 I48 I58 R60 A64 L81 I87 L89T33-F62 HydrophobicContact CG2-CD2 4.42Å; T33-F62 HydrophobicContact CG2-CE1 4.11Å; T33-F62 HydrophobicContact CG2-CE2 3.89Å; T33-F62 HydrophobicContact CG2-CZ 3.74Å; A36-F62 HydrophobicContact CB-CZ 4.45Å; L37-F62 HydrophobicContact CD1-CE1 4.4Å; L37-F62 HydrophobicContact CD2-CE1 3.75Å; L37-F62 HydrophobicContact CG-CE1 3.89Å; L37-F62 HydrophobicContact CG-CZ 4.46Å; I48-F62 HydrophobicContact CD1-CE2 4.12Å; I48-F62 HydrophobicContact CG2-CE2 3.9Å; I48-F62 HydrophobicContact CG2-CZ 4.31Å; I58-F62 HydrophobicContact CG2-CD2 3.51Å; I58-F62 HydrophobicContact CG2-CE2 3.52Å; I58-F62 WeakPolarHBondContact O-CD2 3.23Å; I58-F62 PolarHBondContact O-N 3.26Å; I58-F62 VanDerWaalsContact O-N 3.12Å; R60-F62 PolarHBondContact O-N 3.12Å; R60-F62 VanDerWaalsContact O-N 3.13Å; F62-A64 HydrophobicContact CB-CB 4.31Å; F62-A64 PolarHBondContact O-N 3.26Å; F62-A64 VanDerWaalsContact O-N 3.16Å; F62-L81 HydrophobicContact CB-CD1 3.87Å; F62-L81 HydrophobicContact CB-CD2 4.21Å; F62-L81 HydrophobicContact CD1-CD1 3.36Å; F62-L81 HydrophobicContact CD2-CD1 3.94Å; F62-L81 HydrophobicContact CE1-CD1 3.72Å; F62-L81 HydrophobicContact CE2-CD1 4.28Å; F62-L81 HydrophobicContact CG-CD1 3.46Å; F62-L81 VanDerWaalsContact CG-CD1 3.46Å; F62-L81 HydrophobicContact CZ-CD1 4.17Å; F62-I87 HydrophobicContact CE1-CD1 3.7Å; F62-I87 HydrophobicContact CZ-CD1 3.83Å; F62-L89 HydrophobicContact CD2-CD2 4.03Å
63G94.4Very high87.8Confident52 Ų5263.5 Ų63.554%0.53637%0.371SS..THydrogen-bonded Turntrans61.125.2-175.600000113.2P59 R60 G239P59-G63 PolarHBondContact O-N 2.86Å; R60-G63 PolarHBondContact O-N 3.26Å; G63-G239 VanDerWaalsContact N-CA 3.35Å
64A93.6Very high88Confident2 Ų272.6 Ų72.62%0.01741%0.405CS..  trans-100.97.9-173.800000113.2P59 F62 R67 L81 L89 F94P59-A64 CarbonylContact O-C 3.59Å; P59-A64 WeakPolarHBondContact O-CA 3.36Å; P59-A64 PolarHBondContact O-N 2.85Å; F62-A64 HydrophobicContact CB-CB 4.31Å; F62-A64 PolarHBondContact O-N 3.26Å; F62-A64 VanDerWaalsContact O-N 3.16Å; A64-R67 WeakPolarHBondContact O-CB 3.44Å; A64-R67 WeakPolarHBondContact O-CG 3.43Å; A64-R67 PolarHBondContact O-N 3.09Å; A64-L81 HydrophobicContact CB-CD2 3.84Å; A64-L89 HydrophobicContact CB-CD2 4.42Å; A64-F94 HydrophobicContact CB-CE1 4.3Å; A64-F94 HydrophobicContact CB-CZ 4.31Å; A64-F94 WeakPolarHBondContact O-CE1 3.23Å
65Q87.7Confident88.8Confident101 Ų10169.2 Ų69.247%0.47239%0.385SS..THydrogen-bonded Turntrans-56.9143.1175.2-69.3179.3-54.300111.4P59 R60 R67P59-Q65 HydrophobicContact CB-CG 4.49Å; P59-Q65 PolarHBondContact O-N 2.82Å; R60-Q65 HydrophobicContact CB-CG 4.02Å; Q65-R67 PolarHBondContact O-N 3.43Å
66G83.9Confident89.6Confident79 Ų7969 Ų6981%0.81437%0.372SS*.THydrogen-bonded Turntrans78.3-2.5-178.500000114.8
67R89.6Confident90.3Very high110 Ų11068.6 Ų68.642%0.41537%0.372SS..  trans-76.4148.8167.1-60.8-174.272.7-174.7-2.8110A64 Q65 V79 F80 F94A64-R67 WeakPolarHBondContact O-CB 3.44Å; A64-R67 WeakPolarHBondContact O-CG 3.43Å; A64-R67 PolarHBondContact O-N 3.09Å; Q65-R67 PolarHBondContact O-N 3.43Å; R67-V79 HydrophobicContact CB-CG1 4.05Å; R67-V79 HydrophobicContact CG-CG1 4.48Å; R67-V79 VanDerWaalsContact NH1-CG1 3.33Å; R67-F80 VanDerWaalsContact CZ-O 3.26Å; R67-F80 PolarHBondContact NH1-O 2.88Å; R67-F80 PolarHBondContact NH2-O 3.38Å; R67-F94 HydrophobicContact CB-CE1 4.39Å; R67-F94 VanDerWaalsContact O-CD1 3.3Å; R67-F94 WeakPolarHBondContact O-CD1 3.25Å
68A83.3Confident90.7Very high54 Ų5467.2 Ų67.245%0.44636%0.362SS..  trans-110.6147.1-179.500000110.8
69V88.4Confident90.7Very high27 Ų2767.6 Ų67.616%0.16436%0.364CS..  trans-78133.6167.2172.30000108.4W76 V79 M90 F94 L95V69-W76 HydrophobicContact CG1-CB 3.71Å; V69-W76 HydrophobicContact CG1-CG 3.9Å; V69-V79 HydrophobicContact CG2-CG2 4.41Å; V69-M90 HydrophobicContact CB-CE 4.41Å; V69-M90 HydrophobicContact CG1-CE 3.73Å; V69-M90 HydrophobicContact CG1-SD 4.32Å; V69-M90 HydrophobicContact CG2-CE 3.72Å; V69-M90 HydrophobicContact CG2-SD 3.51Å; V69-M90 VanDerWaalsContact CG2-SD 3.51Å; V69-F94 HydrophobicContact CG2-CB 3.6Å; V69-F94 HydrophobicContact CG2-CD2 3.71Å; V69-F94 HydrophobicContact CG2-CG 4.06Å; V69-L95 HydrophobicContact CB-CD2 4.31Å; V69-L95 HydrophobicContact CG2-CD2 4.46Å
70H88.1Confident90.8Very high131 Ų13169.7 Ų69.761%0.60637%0.373SS*.EExtended strand (participates in β ladder)trans-105.2144.7176.8-62.1-64.2000110.4A77H70-A77 PolarHBondContact O-N 3.02Å
71Q88.8Confident90.9Very high165 Ų16566 Ų6677%0.77136%0.362SS*.EExtended strand (participates in β ladder)trans-87.5137.4171.5-162.6166.48.400109.6
72C87.8Confident90.8Very high55 Ų5566 Ų6637%0.37236%0.363SS..EExtended strand (participates in β ladder)trans-132.8175.4175.172.10000109.6R74 G75C72-R74 PolarHBondContact O-N 3.16Å; C72-G75 PolarHBondContact N-O 3.16Å; C72-G75 PolarHBondContact O-N 3.42Å; C72-G75 PolarHBondContact SG-O 2.66Å
73D85.2Confident90.6Very high177 Ų17776 Ų7695%0.94740%0.399SS*.THydrogen-bonded Turntrans-59.1-23.1-178.8-59.7-18.8000113.4
74R83.2Confident90.6Very high193 Ų19380.2 Ų80.273%0.72841%0.405SS*.THydrogen-bonded Turntrans-97.74.4-179.9-60.2-176.1-177.6-176-0.6113.8N9 C72 A122N9-R74 PolarHBondContact ND2-O 2.82Å; C72-R74 PolarHBondContact O-N 3.16Å; R74-A122 HydrophobicContact CB-CB 3.83Å
75G90.9Very high90.6Very high17 Ų1784.8 Ų84.818%0.17543%0.426CS..EExtended strand (participates in β ladder)trans112.4-138.1-177.500000112.7C72 D120C72-G75 PolarHBondContact N-O 3.16Å; C72-G75 PolarHBondContact O-N 3.42Å; C72-G75 PolarHBondContact SG-O 2.66Å; G75-D120 CarbonylContact C-O 3.54Å; G75-D120 VanDerWaalsContact CA-O 3.27Å; G75-D120 WeakPolarHBondContact CA-O 3.4Å
76W93.3Very high91.1Very high33 Ų3381.2 Ų81.213%0.12541%0.413CS..EExtended strand (participates in β ladder)trans-85.5121.6-179.4-67.2-22.2000111.7V69 M90 L95 L113 Q116 F117 D120 V121 A122V69-W76 HydrophobicContact CG1-CB 3.71Å; V69-W76 HydrophobicContact CG1-CG 3.9Å; W76-M90 HydrophobicContact CB-CE 3.94Å; W76-L95 HydrophobicContact CH2-CD1 4.29Å; W76-L113 HydrophobicContact CH2-CD1 3.71Å; W76-L113 HydrophobicContact CZ3-CD1 4Å; W76-Q116 HydrophobicContact CE3-CG 4.48Å; W76-Q116 HydrophobicContact CH2-CB 4.12Å; W76-Q116 HydrophobicContact CH2-CG 3.57Å; W76-Q116 VanDerWaalsContact CH2-OE1 3.31Å; W76-Q116 HydrophobicContact CZ2-CG 4.13Å; W76-Q116 HydrophobicContact CZ3-CB 4.13Å; W76-Q116 HydrophobicContact CZ3-CG 3.75Å; W76-F117 AromaticContact CE3-CD1 3.82Å; W76-F117 HydrophobicContact CE3-CD1 3.82Å; W76-F117 HydrophobicContact CE3-CE1 4.02Å; W76-F117 HydrophobicContact CH2-CE1 4.48Å; W76-F117 AromaticContact CZ3-CD1 3.45Å; W76-F117 HydrophobicContact CZ3-CD1 3.45Å; W76-F117 VanDerWaalsContact CZ3-CD1 3.45Å; W76-F117 AromaticContact CZ3-CE1 3.56Å; W76-F117 HydrophobicContact CZ3-CE1 3.56Å; W76-F117 HydrophobicContact CZ3-CG 4.49Å; W76-D120 PolarHBondContact N-O 3.28Å; W76-V121 HydrophobicContact CB-CG2 4.41Å; W76-V121 HydrophobicContact CE3-CG2 4.12Å; W76-V121 CarbonylContact O-C 3.6Å; W76-V121 WeakPolarHBondContact O-CA 3.48Å; W76-A122 PolarHBondContact O-N 2.93Å
77A94.3Very high91.8Very high28 Ų2877.6 Ų77.623%0.23138%0.375CS..EExtended strand (participates in β ladder)trans-72.5124.1171.200000109.4H70H70-A77 PolarHBondContact O-N 3.02Å
78P95.8Very high92.1Very high6 Ų672.4 Ų72.44%0.03936%0.355CS..PPolyproline II helixtrans-67.6158.417431.6-36000110.8F80 M90 V121 A122 W123P78-F80 HydrophobicContact CG-CZ 4.26Å; P78-F80 PolarHBondContact O-N 3.27Å; P78-M90 HydrophobicContact CB-CE 4.44Å; P78-V121 HydrophobicContact CB-CG1 4.18Å; P78-A122 WeakPolarHBondContact CD-O 3.46Å; P78-W123 HydrophobicContact CB-CE3 4.13Å; P78-W123 HydrophobicContact CB-CZ3 3.96Å; P78-W123 HydrophobicContact CG-CE3 4.21Å
79V96.4Very high92.8Very high7 Ų769.9 Ų69.94%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-81106.1178.4177.80000108.9R67 V69 L81 S88 L89 F94R67-V79 HydrophobicContact CB-CG1 4.05Å; R67-V79 HydrophobicContact CG-CG1 4.48Å; R67-V79 VanDerWaalsContact NH1-CG1 3.33Å; V69-V79 HydrophobicContact CG2-CG2 4.41Å; V79-L81 HydrophobicContact CG1-CD2 4.23Å; V79-S88 CarbonylContact O-C 3.59Å; V79-S88 WeakPolarHBondContact O-CA 3.28Å; V79-L89 PolarHBondContact N-O 2.84Å; V79-L89 PolarHBondContact O-N 3.48Å; V79-F94 HydrophobicContact CB-CE2 3.73Å; V79-F94 HydrophobicContact CB-CZ 3.85Å; V79-F94 HydrophobicContact CG1-CE2 4.46Å; V79-F94 HydrophobicContact CG1-CZ 4.08Å; V79-F94 HydrophobicContact CG2-CD2 3.7Å; V79-F94 HydrophobicContact CG2-CE1 4.3Å; V79-F94 HydrophobicContact CG2-CE2 3.38Å; V79-F94 HydrophobicContact CG2-CG 4.27Å; V79-F94 HydrophobicContact CG2-CZ 3.72Å
80F96.3Very high93.2Very high52 Ų5268.6 Ų68.623%0.22833%0.326CS..EExtended strand (participates in β ladder)trans-73.5127174.8-65.3-76000111.4R67 P78 Q85R67-F80 VanDerWaalsContact CZ-O 3.26Å; R67-F80 PolarHBondContact NH1-O 2.88Å; R67-F80 PolarHBondContact NH2-O 3.38Å; P78-F80 HydrophobicContact CG-CZ 4.26Å; P78-F80 PolarHBondContact O-N 3.27Å; F80-Q85 HydrophobicContact CB-CG 4.24Å; F80-Q85 HydrophobicContact CD1-CB 3.53Å; F80-Q85 HydrophobicContact CD1-CG 3.7Å; F80-Q85 HydrophobicContact CD2-CG 4.34Å; F80-Q85 HydrophobicContact CE1-CB 3.78Å; F80-Q85 HydrophobicContact CE1-CG 4.1Å; F80-Q85 HydrophobicContact CG-CB 4.18Å; F80-Q85 HydrophobicContact CG-CG 3.83Å
81L95.8Very high93.5Very high43 Ų4362.3 Ų62.323%0.22530%0.297CS..  trans-93.7-10.2-173.2-43.3169.4000113.5F62 A64 V79 I87 L89F62-L81 HydrophobicContact CB-CD1 3.87Å; F62-L81 HydrophobicContact CB-CD2 4.21Å; F62-L81 HydrophobicContact CD1-CD1 3.36Å; F62-L81 HydrophobicContact CD2-CD1 3.94Å; F62-L81 HydrophobicContact CE1-CD1 3.72Å; F62-L81 HydrophobicContact CE2-CD1 4.28Å; F62-L81 HydrophobicContact CG-CD1 3.46Å; F62-L81 VanDerWaalsContact CG-CD1 3.46Å; F62-L81 HydrophobicContact CZ-CD1 4.17Å; A64-L81 HydrophobicContact CB-CD2 3.84Å; V79-L81 HydrophobicContact CG1-CD2 4.23Å; L81-I87 HydrophobicContact CB-CG2 3.81Å; L81-I87 HydrophobicContact CD1-CD1 4.21Å; L81-I87 HydrophobicContact CD1-CG1 4.08Å; L81-I87 HydrophobicContact CD1-CG2 4.08Å; L81-I87 HydrophobicContact CG-CG2 4.27Å; L81-I87 PolarHBondContact N-O 3.32Å; L81-L89 HydrophobicContact CD1-CB 4.29Å; L81-L89 HydrophobicContact CD2-CB 4.15Å; L81-L89 HydrophobicContact CD2-CD2 4.35Å; L81-L89 HydrophobicContact CG-CB 4.4Å
82D93.6Very high93.3Very high27 Ų2754.5 Ų54.514%0.14426%0.261CS..SBendtrans-136.8171.5173.565.89.3000112.4R40 E84 Q85 S86R40-D82 IonicContact CZ-OD2 3.06Å; R40-D82 IonicContact NE-OD2 3.87Å; R40-D82 PolarHBondContact NE-OD2 3.4Å; R40-D82 VanDerWaalsContact NE-OD2 3.1Å; R40-D82 IonicContact NH2-OD2 2.58Å; R40-D82 PolarHBondContact NH2-OD2 3.48Å; D82-E84 VanDerWaalsContact C-N 3.34Å; D82-Q85 PolarHBondContact O-N 3.21Å; D82-Q85 VanDerWaalsContact OD1-CA 3.32Å; D82-Q85 WeakPolarHBondContact OD1-CA 3.41Å; D82-Q85 PolarHBondContact OD1-N 3.11Å; D82-S86 PolarHBondContact OD1-N 2.82Å; D82-S86 PolarHBondContact OD2-OG 2.74Å
83R92.4Very high93.2Very high236 Ų23652.9 Ų52.989%0.89125%0.254SS*.THydrogen-bonded Turntrans-73.9-32-176.1-67.4-177.2178.2-176.7-0.1111.8Q85R83-Q85 PolarHBondContact O-N 2.85Å
84E94.1Very high93.4Very high141 Ų14145.4 Ų45.466%0.65921%0.213SC*.THydrogen-bonded Turntrans-74.3-7.3179.4-62.370.4-153.400112.1D82 S86D82-E84 VanDerWaalsContact C-N 3.34Å; E84-S86 PolarHBondContact O-N 2.92Å
85Q94.8Very high93.4Very high98 Ų9839.2 Ų39.246%0.45819%0.194SC..  trans53.933.9-176-59.8-174.6-14.800112.1K45 F80 D82 R83K45-Q85 VanDerWaalsContact CE-O 3.24Å; K45-Q85 WeakPolarHBondContact CE-O 3.32Å; F80-Q85 HydrophobicContact CB-CG 4.24Å; F80-Q85 HydrophobicContact CD1-CB 3.53Å; F80-Q85 HydrophobicContact CD1-CG 3.7Å; F80-Q85 HydrophobicContact CD2-CG 4.34Å; F80-Q85 HydrophobicContact CE1-CB 3.78Å; F80-Q85 HydrophobicContact CE1-CG 4.1Å; F80-Q85 HydrophobicContact CG-CB 4.18Å; F80-Q85 HydrophobicContact CG-CG 3.83Å; D82-Q85 PolarHBondContact O-N 3.21Å; D82-Q85 VanDerWaalsContact OD1-CA 3.32Å; D82-Q85 WeakPolarHBondContact OD1-CA 3.41Å; D82-Q85 PolarHBondContact OD1-N 3.11Å; R83-Q85 PolarHBondContact O-N 2.85Å
86S96.7Very high92.8Very high26 Ų2639.6 Ų39.618%0.18219%0.192CC..  trans-81-21.9-178.3810000112R40 K45 V46 D82 E84R40-S86 WeakPolarHBondContact CG-OG 3.42Å; R40-S86 PolarHBondContact NE-OG 3.29Å; K45-S86 CarbonylContact C-O 3.57Å; K45-S86 WeakPolarHBondContact CA-O 3.37Å; V46-S86 PolarHBondContact N-O 2.97Å; D82-S86 PolarHBondContact OD1-N 2.82Å; D82-S86 PolarHBondContact OD2-OG 2.74Å; E84-S86 PolarHBondContact O-N 2.92Å
87I98.2Very high91.7Very high4 Ų446.6 Ų46.62%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-135.3136174.9-169.3171.5000111.2A36 L37 R40 V46 F62 L81A36-I87 HydrophobicContact CB-CD1 4.2Å; L37-I87 HydrophobicContact CD2-CD1 4.41Å; R40-I87 HydrophobicContact CG-CB 4.39Å; V46-I87 HydrophobicContact CB-CG1 4.39Å; V46-I87 CarbonylContact O-C 3.57Å; V46-I87 VanDerWaalsContact O-CA 3.24Å; V46-I87 WeakPolarHBondContact O-CA 3.45Å; F62-I87 HydrophobicContact CE1-CD1 3.7Å; F62-I87 HydrophobicContact CZ-CD1 3.83Å; L81-I87 HydrophobicContact CB-CG2 3.81Å; L81-I87 HydrophobicContact CD1-CD1 4.21Å; L81-I87 HydrophobicContact CD1-CG1 4.08Å; L81-I87 HydrophobicContact CD1-CG2 4.08Å; L81-I87 HydrophobicContact CG-CG2 4.27Å; L81-I87 PolarHBondContact N-O 3.32Å
88S97.8Very high90.6Very high1 Ų152.1 Ų52.11%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-136.7147.4-177.5650000111.3V46 G47 I48 V79V46-S88 PolarHBondContact O-N 2.89Å; G47-S88 CarbonylContact C-O 3.57Å; G47-S88 WeakPolarHBondContact CA-O 3.44Å; I48-S88 WeakPolarHBondContact CG2-O 3.39Å; I48-S88 PolarHBondContact N-O 2.94Å; V79-S88 CarbonylContact O-C 3.59Å; V79-S88 WeakPolarHBondContact O-CA 3.28Å
89L97.6Very high89.1Confident0 Ų055.7 Ų55.70%027%0.268CS..EExtended strand (participates in β ladder)trans-129.2136-173.6170.859.6000111.2I48 I58 P59 F62 A64 V79 L81 F94I48-L89 HydrophobicContact CB-CD1 4.44Å; I48-L89 HydrophobicContact CG1-CD1 4.37Å; I48-L89 HydrophobicContact CG2-CB 3.85Å; I48-L89 HydrophobicContact CG2-CD1 3.6Å; I48-L89 HydrophobicContact CG2-CG 4.24Å; I48-L89 WeakPolarHBondContact O-CA 3.46Å; I48-L89 WeakPolarHBondContact O-CD1 3.27Å; I58-L89 HydrophobicContact CB-CD1 4.36Å; I58-L89 HydrophobicContact CG2-CD1 3.49Å; I58-L89 VanDerWaalsContact CG2-CD1 3.49Å; I58-L89 HydrophobicContact CG2-CD2 3.99Å; I58-L89 HydrophobicContact CG2-CG 4.43Å; P59-L89 HydrophobicContact CG-CD2 4.4Å; F62-L89 HydrophobicContact CD2-CD2 4.03Å; A64-L89 HydrophobicContact CB-CD2 4.42Å; V79-L89 PolarHBondContact N-O 2.84Å; V79-L89 PolarHBondContact O-N 3.48Å; L81-L89 HydrophobicContact CD1-CB 4.29Å; L81-L89 HydrophobicContact CD2-CB 4.15Å; L81-L89 HydrophobicContact CD2-CD2 4.35Å; L81-L89 HydrophobicContact CG-CB 4.4Å; L89-F94 HydrophobicContact CB-CE2 4.43Å; L89-F94 HydrophobicContact CD2-CE2 4.13Å; L89-F94 HydrophobicContact CD2-CZ 3.62Å; L89-F94 HydrophobicContact CG-CE2 3.76Å; L89-F94 HydrophobicContact CG-CZ 3.79Å
90M96.6Very high87.7Confident0 Ų062.9 Ų62.90%031%0.306CS..EExtended strand (participates in β ladder)trans-124.6131162.8-174.956.667.300109.1I48 L49 D50 V69 W76 P78 F117 V121 W123I48-M90 PolarHBondContact O-N 3.38Å; L49-M90 HydrophobicContact CD1-CB 4.05Å; L49-M90 HydrophobicContact CD1-CG 4.16Å; D50-M90 PolarHBondContact N-O 3.08Å; V69-M90 HydrophobicContact CB-CE 4.41Å; V69-M90 HydrophobicContact CG1-CE 3.73Å; V69-M90 HydrophobicContact CG1-SD 4.32Å; V69-M90 HydrophobicContact CG2-CE 3.72Å; V69-M90 HydrophobicContact CG2-SD 3.51Å; V69-M90 VanDerWaalsContact CG2-SD 3.51Å; W76-M90 HydrophobicContact CB-CE 3.94Å; P78-M90 HydrophobicContact CB-CE 4.44Å; M90-F117 HydrophobicContact CG-CD1 3.61Å; M90-F117 HydrophobicContact CG-CE1 3.74Å; M90-F117 HydrophobicContact CG-CG 4.36Å; M90-F117 HydrophobicContact SD-CD1 4.21Å; M90-F117 HydrophobicContact SD-CE1 3.89Å; M90-V121 HydrophobicContact CB-CG1 4.24Å; M90-V121 HydrophobicContact CB-CG2 4.42Å; M90-V121 HydrophobicContact CE-CG1 3.84Å; M90-V121 HydrophobicContact CE-CG2 3.94Å; M90-V121 HydrophobicContact CG-CG1 4.37Å; M90-V121 HydrophobicContact CG-CG2 3.76Å; M90-V121 HydrophobicContact SD-CG2 4.45Å; M90-W123 HydrophobicContact CB-CH2 3.59Å; M90-W123 HydrophobicContact CB-CZ2 3.8Å
91S93.6Very high86.4Confident0 Ų065.2 Ų65.20%032%0.318CS..EExtended strand (participates in β ladder)trans-147150.4178.6175.80000109.7D50 P59 G93 F94D50-S91 PolarHBondContact OD2-OG 2.76Å; P59-S91 VanDerWaalsContact CG-CB 3.42Å; P59-S91 VanDerWaalsContact CG-OG 3.32Å; P59-S91 WeakPolarHBondContact CG-OG 3.36Å; S91-G93 PolarHBondContact O-N 2.86Å; S91-G93 PolarHBondContact OG-N 3.14Å; S91-F94 PolarHBondContact O-N 3.09Å
92V85.9Confident85.1Confident0 Ų066.7 Ų66.70%034%0.336CS..G310 helixtrans-57.6-26.4166.369.70000112.3L53 P56 F94 L95 L96 W105 L113 F117L53-V92 HydrophobicContact CD2-CB 3.56Å; L53-V92 HydrophobicContact CD2-CG1 3.81Å; L53-V92 HydrophobicContact CD2-CG2 3.84Å; P56-V92 HydrophobicContact CB-CG1 3.77Å; P56-V92 HydrophobicContact CG-CG1 3.84Å; V92-F94 PolarHBondContact O-N 2.85Å; V92-L95 WeakPolarHBondContact O-CA 3.33Å; V92-L95 WeakPolarHBondContact O-CB 3.41Å; V92-L95 PolarHBondContact O-N 2.95Å; V92-L96 HydrophobicContact CG2-CD2 4.46Å; V92-L96 PolarHBondContact O-N 3.39Å; V92-W105 HydrophobicContact CG2-CH2 3.52Å; V92-W105 HydrophobicContact CG2-CZ3 3.55Å; V92-L113 HydrophobicContact CB-CD2 4.41Å; V92-L113 HydrophobicContact CG2-CD2 3.82Å; V92-F117 HydrophobicContact CB-CE2 4.28Å; V92-F117 HydrophobicContact CB-CZ 4.24Å
93G85.4Confident84Confident22 Ų2266.4 Ų66.423%0.22734%0.335CS..G310 helixtrans-59.5-21.5-179.300000113.7S91S91-G93 PolarHBondContact O-N 2.86Å; S91-G93 PolarHBondContact OG-N 3.14Å
94F89.1Confident83.2Confident19 Ų1961.4 Ų61.48%0.08333%0.331CS..G310 helixtrans-84.2-13.7174.2-55.3-43.2000114.3P59 A64 R67 V69 V79 L89 S91 V92P59-F94 HydrophobicContact CB-CD1 4.47Å; P59-F94 HydrophobicContact CB-CE1 3.8Å; P59-F94 HydrophobicContact CB-CZ 4.24Å; P59-F94 HydrophobicContact CG-CE1 4.06Å; P59-F94 HydrophobicContact CG-CZ 4.22Å; A64-F94 HydrophobicContact CB-CE1 4.3Å; A64-F94 HydrophobicContact CB-CZ 4.31Å; A64-F94 WeakPolarHBondContact O-CE1 3.23Å; R67-F94 HydrophobicContact CB-CE1 4.39Å; R67-F94 VanDerWaalsContact O-CD1 3.3Å; R67-F94 WeakPolarHBondContact O-CD1 3.25Å; V69-F94 HydrophobicContact CG2-CB 3.6Å; V69-F94 HydrophobicContact CG2-CD2 3.71Å; V69-F94 HydrophobicContact CG2-CG 4.06Å; V79-F94 HydrophobicContact CB-CE2 3.73Å; V79-F94 HydrophobicContact CB-CZ 3.85Å; V79-F94 HydrophobicContact CG1-CE2 4.46Å; V79-F94 HydrophobicContact CG1-CZ 4.08Å; V79-F94 HydrophobicContact CG2-CD2 3.7Å; V79-F94 HydrophobicContact CG2-CE1 4.3Å; V79-F94 HydrophobicContact CG2-CE2 3.38Å; V79-F94 HydrophobicContact CG2-CG 4.27Å; V79-F94 HydrophobicContact CG2-CZ 3.72Å; L89-F94 HydrophobicContact CB-CE2 4.43Å; L89-F94 HydrophobicContact CD2-CE2 4.13Å; L89-F94 HydrophobicContact CD2-CZ 3.62Å; L89-F94 HydrophobicContact CG-CE2 3.76Å; L89-F94 HydrophobicContact CG-CZ 3.79Å; S91-F94 PolarHBondContact O-N 3.09Å; V92-F94 PolarHBondContact O-N 2.85Å
95L83.3Confident82.4Confident63 Ų6357.7 Ų57.733%0.3331%0.311SS..THydrogen-bonded Turntrans-96.9-6.4179.6-54.8-176.8000112.3V69 W76 V92 L113 F117V69-L95 HydrophobicContact CB-CD2 4.31Å; V69-L95 HydrophobicContact CG2-CD2 4.46Å; W76-L95 HydrophobicContact CH2-CD1 4.29Å; V92-L95 WeakPolarHBondContact O-CA 3.33Å; V92-L95 WeakPolarHBondContact O-CB 3.41Å; V92-L95 PolarHBondContact O-N 2.95Å; L95-L113 HydrophobicContact CD1-CD1 3.7Å; L95-L113 HydrophobicContact CD1-CD2 4.26Å; L95-F117 HydrophobicContact CD1-CE1 3.83Å; L95-F117 HydrophobicContact CD1-CZ 3.77Å
96L77.9Confident81.8Confident26 Ų2663.4 Ų63.414%0.13633%0.328CS..SBendtrans-82.7137.4175.7-56.9-179.8000109.9P56 V92 K98 V103 W105P56-L96 HydrophobicContact CG-CD1 4.42Å; V92-L96 HydrophobicContact CG2-CD2 4.46Å; V92-L96 PolarHBondContact O-N 3.39Å; L96-K98 PolarHBondContact O-N 2.95Å; L96-V103 HydrophobicContact CD1-CG2 3.81Å; L96-V103 HydrophobicContact CD2-CG2 3.67Å; L96-V103 HydrophobicContact CG-CG2 4.37Å; L96-W105 HydrophobicContact CD2-CH2 4.1Å; L96-W105 HydrophobicContact CD2-CZ2 3.94Å
97E70.6Confident81.1Confident180 Ų18063.8 Ų63.884%0.84134%0.336SS*.SBendtrans-66.5-32176.2-66.1-174.6178.700111.4
98K71.3Confident80.6Confident143 Ų14368.5 Ų68.562%0.62237%0.367SS*.SBendtrans-132.3136.1176.8-63.1177.9-174.2171.80110.7L96 D100 E101L96-K98 PolarHBondContact O-N 2.95Å; K98-D100 VanDerWaalsContact C-N 3.25Å; K98-D100 PolarHBondContact O-N 2.82Å; K98-E101 HydrophobicContact CB-CB 4.26Å; K98-E101 WeakPolarHBondContact O-CB 3.49Å; K98-E101 PolarHBondContact O-N 3.2Å; K98-E101 VanDerWaalsContact O-N 3.12Å
99P64.1Low80.1Confident82 Ų8274.1 Ų74.153%0.53239%0.391SS..THydrogen-bonded Turntrans-56.9-33-178.7-27.134.6000115.1
100D66.5Low79.6Confident158 Ų15875.1 Ų75.185%0.84540%0.396SS*.THydrogen-bonded Turntrans-95.67.8-177-57.3-45.3000113.3K98 A102K98-D100 VanDerWaalsContact C-N 3.25Å; K98-D100 PolarHBondContact O-N 2.82Å; D100-A102 PolarHBondContact O-N 3.23Å
101E70.1Confident79.2Confident100 Ų10077.3 Ų77.347%0.46741%0.407SS..  trans-73.6122.3179-167.8175.4175.100110.6K98 V103K98-E101 HydrophobicContact CB-CB 4.26Å; K98-E101 WeakPolarHBondContact O-CB 3.49Å; K98-E101 PolarHBondContact O-N 3.2Å; K98-E101 VanDerWaalsContact O-N 3.12Å; E101-V103 PolarHBondContact O-N 3.35Å
102A67.6Low79.1Confident75 Ų7580.1 Ų80.162%0.6243%0.43SS*.  trans-64.1127174.800000110.3D100 V104D100-A102 PolarHBondContact O-N 3.23Å; A102-V104 VanDerWaalsContact C-N 3.34Å; A102-V104 HydrophobicContact CB-CG2 4.23Å; A102-V104 PolarHBondContact O-N 2.82Å
103V71.1Confident79.3Confident20 Ų2080.8 Ų80.812%0.12143%0.434CS..  trans-75.884.9178.7-173.20000110.4L53 L96 E101 W105L53-V103 WeakPolarHBondContact O-CB 3.49Å; L53-V103 WeakPolarHBondContact O-CG2 3.38Å; L96-V103 HydrophobicContact CD1-CG2 3.81Å; L96-V103 HydrophobicContact CD2-CG2 3.67Å; L96-V103 HydrophobicContact CG-CG2 4.37Å; E101-V103 PolarHBondContact O-N 3.35Å; V103-W105 VanDerWaalsContact C-N 3.27Å; V103-W105 HydrophobicContact CG1-CB 4.25Å; V103-W105 HydrophobicContact CG1-CD2 3.37Å; V103-W105 HydrophobicContact CG1-CE3 3.4Å; V103-W105 VanDerWaalsContact CG1-CE3 3.4Å; V103-W105 HydrophobicContact CG1-CG 3.77Å; V103-W105 HydrophobicContact CG1-CH2 4.15Å; V103-W105 HydrophobicContact CG1-CZ2 4.14Å; V103-W105 HydrophobicContact CG1-CZ3 3.78Å; V103-W105 PolarHBondContact O-N 3.3Å; V103-W105 VanDerWaalsContact O-N 3.16Å
104V74.1Confident79.6Confident132 Ų13279.8 Ų79.880%0.842%0.423SS*.  trans-90.259.5177.2-164.80000110.5A102A102-V104 VanDerWaalsContact C-N 3.34Å; A102-V104 HydrophobicContact CB-CG2 4.23Å; A102-V104 PolarHBondContact O-N 2.82Å
105W77.8Confident79.7Confident63 Ų6384.5 Ų84.524%0.23944%0.444CS..  trans-97.6144.1177.1-63.1-13.1000112.2V92 L96 V103 K109 K110 L113V92-W105 HydrophobicContact CG2-CH2 3.52Å; V92-W105 HydrophobicContact CG2-CZ3 3.55Å; L96-W105 HydrophobicContact CD2-CH2 4.1Å; L96-W105 HydrophobicContact CD2-CZ2 3.94Å; V103-W105 VanDerWaalsContact C-N 3.27Å; V103-W105 HydrophobicContact CG1-CB 4.25Å; V103-W105 HydrophobicContact CG1-CD2 3.37Å; V103-W105 HydrophobicContact CG1-CE3 3.4Å; V103-W105 VanDerWaalsContact CG1-CE3 3.4Å; V103-W105 HydrophobicContact CG1-CG 3.77Å; V103-W105 HydrophobicContact CG1-CH2 4.15Å; V103-W105 HydrophobicContact CG1-CZ2 4.14Å; V103-W105 HydrophobicContact CG1-CZ3 3.78Å; V103-W105 PolarHBondContact O-N 3.3Å; V103-W105 VanDerWaalsContact O-N 3.16Å; W105-K109 HydrophobicContact CB-CB 4.5Å; W105-K109 HydrophobicContact CB-CD 4.22Å; W105-K109 HydrophobicContact CD2-CD 4.17Å; W105-K109 HydrophobicContact CG-CD 3.92Å; W105-K110 HydrophobicContact CB-CG 3.96Å; W105-K110 WeakPolarHBondContact O-CE 3.33Å; W105-L113 HydrophobicContact CE3-CD2 4.34Å; W105-L113 HydrophobicContact CH2-CD2 4.07Å; W105-L113 HydrophobicContact CZ3-CD2 3.41Å; W105-L113 VanDerWaalsContact CZ3-CD2 3.41Å
106R81.9Confident80.1Confident218 Ų21884.7 Ų84.782%0.82344%0.443SS*.  trans-70.5149.7173.3-63-170178.2-154.80.4110.9K109 K110R106-K109 WeakPolarHBondContact O-CB 2.84Å; R106-K109 PolarHBondContact O-N 3.3Å; R106-K110 PolarHBondContact O-N 2.82Å
107G83.8Confident80.8Confident33 Ų3383.4 Ų83.434%0.3444%0.436SS..Hα-helixtrans-45.3-47.9-178.200000115.4K109 K110 N111G107-K109 VanDerWaalsContact C-N 3.3Å; G107-K109 PolarHBondContact O-N 3.12Å; G107-K110 WeakPolarHBondContact O-CB 3.16Å; G107-K110 PolarHBondContact O-N 3.09Å; G107-K110 VanDerWaalsContact O-N 3.16Å; G107-N111 PolarHBondContact O-N 2.88Å; G107-N111 PolarHBondContact O-OD1 2.93Å
108P86.8Confident81.8Confident104 Ų10475.1 Ų75.168%0.67540%0.398SS*.Hα-helixtrans-58.9-38178.5-27.636000114A112P108-A112 WeakPolarHBondContact O-CB 3.36Å; P108-A112 PolarHBondContact O-N 3.36Å
109K86.7Confident82.7Confident118 Ų11870.9 Ų70.951%0.51339%0.386SS..Hα-helixtrans-69-41.7178-174.3179.1178.9-170.40111W105 R106 G107 A112 L113W105-K109 HydrophobicContact CB-CB 4.5Å; W105-K109 HydrophobicContact CB-CD 4.22Å; W105-K109 HydrophobicContact CD2-CD 4.17Å; W105-K109 HydrophobicContact CG-CD 3.92Å; R106-K109 WeakPolarHBondContact O-CB 2.84Å; R106-K109 PolarHBondContact O-N 3.3Å; G107-K109 VanDerWaalsContact C-N 3.3Å; G107-K109 PolarHBondContact O-N 3.12Å; K109-A112 PolarHBondContact O-N 3.24Å; K109-L113 PolarHBondContact O-N 3.14Å
110K87.3Confident84Confident21 Ų2169.6 Ų69.69%0.09138%0.375CS..Hα-helixtrans-60-48.4174.4-69.3-177169.7-1760111.5L53 C54 W105 R106 G107 A112 L113 I114 E140L53-K110 HydrophobicContact CD1-CB 3.55Å; L53-K110 HydrophobicContact CD1-CD 4.23Å; L53-K110 HydrophobicContact CD1-CG 3.72Å; C54-K110 PolarHBondContact SG-NZ 2.99Å; C54-K110 VanDerWaalsContact SG-NZ 3.35Å; W105-K110 HydrophobicContact CB-CG 3.96Å; W105-K110 WeakPolarHBondContact O-CE 3.33Å; R106-K110 PolarHBondContact O-N 2.82Å; G107-K110 WeakPolarHBondContact O-CB 3.16Å; G107-K110 PolarHBondContact O-N 3.09Å; G107-K110 VanDerWaalsContact O-N 3.16Å; K110-A112 VanDerWaalsContact C-N 3.35Å; K110-A112 PolarHBondContact O-N 2.84Å; K110-L113 PolarHBondContact O-N 2.78Å; K110-I114 WeakPolarHBondContact O-CG1 3.43Å; K110-I114 PolarHBondContact O-N 3.46Å; K110-E140 HydrophobicContact CB-CG 4.33Å; K110-E140 HydrophobicContact CD-CG 3.97Å; K110-E140 VanDerWaalsContact CD-OE1 3.22Å; K110-E140 WeakPolarHBondContact CD-OE1 3.14Å; K110-E140 IonicContact NZ-OE1 2.69Å; K110-E140 PolarHBondContact NZ-OE1 3.03Å
111N89.3Confident85.4Confident47 Ų4762 Ų6225%0.25134%0.335SS..Hα-helixtrans-64.7-38.8180-67.54.2000112.1G107 I114 K115 A143G107-N111 PolarHBondContact O-N 2.88Å; G107-N111 PolarHBondContact O-OD1 2.93Å; N111-I114 PolarHBondContact O-N 3.41Å; N111-K115 WeakPolarHBondContact O-CG 3.3Å; N111-K115 PolarHBondContact O-N 2.9Å; N111-K115 VanDerWaalsContact O-N 3.09Å; N111-A143 HydrophobicContact CB-CB 4.3Å
112A90.6Very high86.6Confident58 Ų5858.2 Ų58.248%0.47932%0.32SS..Hα-helixtrans-62.3-43.817400000111.3P108 K109 K110 K115 Q116P108-A112 WeakPolarHBondContact O-CB 3.36Å; P108-A112 PolarHBondContact O-N 3.36Å; K109-A112 PolarHBondContact O-N 3.24Å; K110-A112 VanDerWaalsContact C-N 3.35Å; K110-A112 PolarHBondContact O-N 2.84Å; A112-K115 PolarHBondContact O-N 3.16Å; A112-Q116 WeakPolarHBondContact O-CB 3.38Å; A112-Q116 PolarHBondContact O-N 3.13Å
113L90.6Very high87.9Confident15 Ų1554.9 Ų54.98%0.07929%0.291CS..Hα-helixtrans-64.5-42.5177.9-178.264.1000112.5L53 W76 V92 L95 W105 K109 K110 K115 Q116 F117L53-L113 HydrophobicContact CD2-CD2 3.94Å; W76-L113 HydrophobicContact CH2-CD1 3.71Å; W76-L113 HydrophobicContact CZ3-CD1 4Å; V92-L113 HydrophobicContact CB-CD2 4.41Å; V92-L113 HydrophobicContact CG2-CD2 3.82Å; L95-L113 HydrophobicContact CD1-CD1 3.7Å; L95-L113 HydrophobicContact CD1-CD2 4.26Å; W105-L113 HydrophobicContact CE3-CD2 4.34Å; W105-L113 HydrophobicContact CH2-CD2 4.07Å; W105-L113 HydrophobicContact CZ3-CD2 3.41Å; W105-L113 VanDerWaalsContact CZ3-CD2 3.41Å; K109-L113 PolarHBondContact O-N 3.14Å; K110-L113 PolarHBondContact O-N 2.78Å; L113-K115 VanDerWaalsContact C-N 3.31Å; L113-K115 PolarHBondContact O-N 3.12Å; L113-Q116 CarbonylContact O-C 3.38Å; L113-Q116 WeakPolarHBondContact O-CA 3.46Å; L113-Q116 WeakPolarHBondContact O-CB 3.07Å; L113-Q116 PolarHBondContact O-N 2.8Å; L113-Q116 VanDerWaalsContact O-N 3.09Å; L113-F117 HydrophobicContact CD1-CD1 4.48Å; L113-F117 HydrophobicContact CD1-CE1 4.02Å; L113-F117 HydrophobicContact CD1-CE2 4.21Å; L113-F117 HydrophobicContact CD1-CZ 3.88Å; L113-F117 HydrophobicContact CD2-CE2 3.91Å; L113-F117 HydrophobicContact CD2-CZ 3.96Å; L113-F117 HydrophobicContact CG-CD2 4.18Å; L113-F117 HydrophobicContact CG-CE1 4.47Å; L113-F117 HydrophobicContact CG-CE2 3.76Å; L113-F117 HydrophobicContact CG-CZ 3.9Å; L113-F117 PolarHBondContact O-N 3.09Å
114I91.6Very high88.9Confident0 Ų055.7 Ų55.70%030%0.304CS..Hα-helixtrans-58.9-45.9176.1-69.1165.6000110.3L53 K110 N111 Q116 F117 V118 E140 A143L53-I114 HydrophobicContact CD1-CD1 4.17Å; L53-I114 HydrophobicContact CD1-CG1 4.15Å; K110-I114 WeakPolarHBondContact O-CG1 3.43Å; K110-I114 PolarHBondContact O-N 3.46Å; N111-I114 PolarHBondContact O-N 3.41Å; I114-Q116 VanDerWaalsContact C-N 3.27Å; I114-Q116 PolarHBondContact O-N 3.33Å; I114-F117 PolarHBondContact O-N 3.21Å; I114-V118 WeakPolarHBondContact O-CG2 3.48Å; I114-V118 PolarHBondContact O-N 3.27Å; I114-E140 HydrophobicContact CD1-CB 3.87Å; I114-E140 HydrophobicContact CD1-CG 4.4Å; I114-A143 HydrophobicContact CD1-CB 4.25Å
115K91.6Very high89.9Confident119 Ų11955.5 Ų55.552%0.51729%0.294SS..Hα-helixtrans-60.5-40.4174.9-72.4176.7180-175.50111.5N111 A112 L113 V118 S119 A147N111-K115 WeakPolarHBondContact O-CG 3.3Å; N111-K115 PolarHBondContact O-N 2.9Å; N111-K115 VanDerWaalsContact O-N 3.09Å; A112-K115 PolarHBondContact O-N 3.16Å; L113-K115 VanDerWaalsContact C-N 3.31Å; L113-K115 PolarHBondContact O-N 3.12Å; K115-V118 PolarHBondContact O-N 3.06Å; K115-S119 PolarHBondContact O-N 3.28Å; K115-S119 PolarHBondContact O-OG 3.16Å; K115-S119 VanDerWaalsContact O-OG 3.12Å; K115-A147 HydrophobicContact CG-CB 4.34Å
116Q91.6Very high90.9Very high66 Ų6652.7 Ų52.731%0.30828%0.284SS..Hα-helixtrans-66.2-39.1178.2-160.1173.8-1.600112.7W76 A112 L113 I114 V118 S119 D120W76-Q116 HydrophobicContact CE3-CG 4.48Å; W76-Q116 HydrophobicContact CH2-CB 4.12Å; W76-Q116 HydrophobicContact CH2-CG 3.57Å; W76-Q116 VanDerWaalsContact CH2-OE1 3.31Å; W76-Q116 HydrophobicContact CZ2-CG 4.13Å; W76-Q116 HydrophobicContact CZ3-CB 4.13Å; W76-Q116 HydrophobicContact CZ3-CG 3.75Å; A112-Q116 WeakPolarHBondContact O-CB 3.38Å; A112-Q116 PolarHBondContact O-N 3.13Å; L113-Q116 CarbonylContact O-C 3.38Å; L113-Q116 WeakPolarHBondContact O-CA 3.46Å; L113-Q116 WeakPolarHBondContact O-CB 3.07Å; L113-Q116 PolarHBondContact O-N 2.8Å; L113-Q116 VanDerWaalsContact O-N 3.09Å; I114-Q116 VanDerWaalsContact C-N 3.27Å; I114-Q116 PolarHBondContact O-N 3.33Å; Q116-V118 PolarHBondContact O-N 3.2Å; Q116-S119 PolarHBondContact O-N 3.47Å; Q116-D120 HydrophobicContact CG-CB 3.96Å; Q116-D120 WeakPolarHBondContact CG-OD2 3.14Å; Q116-D120 PolarHBondContact NE2-OD2 3.05Å; Q116-D120 WeakPolarHBondContact O-CA 3.43Å; Q116-D120 VanDerWaalsContact O-CB 3.29Å; Q116-D120 WeakPolarHBondContact O-CB 3.4Å; Q116-D120 PolarHBondContact O-N 2.96Å
117F92.6Very high91.6Very high0 Ų044 Ų440%025%0.254CS..Hα-helixtrans-62.1-34.5173.4-74.4-35000112.8L49 V51 L53 W76 M90 V92 L95 L113 I114 V121L49-F117 HydrophobicContact CD1-CB 3.8Å; L49-F117 HydrophobicContact CD1-CD2 4.19Å; L49-F117 HydrophobicContact CD1-CG 4.02Å; L49-F117 HydrophobicContact CD2-CB 4.46Å; V51-F117 HydrophobicContact CG1-CD2 4.11Å; L53-F117 HydrophobicContact CD2-CE2 4.25Å; W76-F117 AromaticContact CE3-CD1 3.82Å; W76-F117 HydrophobicContact CE3-CD1 3.82Å; W76-F117 HydrophobicContact CE3-CE1 4.02Å; W76-F117 HydrophobicContact CH2-CE1 4.48Å; W76-F117 AromaticContact CZ3-CD1 3.45Å; W76-F117 HydrophobicContact CZ3-CD1 3.45Å; W76-F117 VanDerWaalsContact CZ3-CD1 3.45Å; W76-F117 AromaticContact CZ3-CE1 3.56Å; W76-F117 HydrophobicContact CZ3-CE1 3.56Å; W76-F117 HydrophobicContact CZ3-CG 4.49Å; M90-F117 HydrophobicContact CG-CD1 3.61Å; M90-F117 HydrophobicContact CG-CE1 3.74Å; M90-F117 HydrophobicContact CG-CG 4.36Å; M90-F117 HydrophobicContact SD-CD1 4.21Å; M90-F117 HydrophobicContact SD-CE1 3.89Å; V92-F117 HydrophobicContact CB-CE2 4.28Å; V92-F117 HydrophobicContact CB-CZ 4.24Å; L95-F117 HydrophobicContact CD1-CE1 3.83Å; L95-F117 HydrophobicContact CD1-CZ 3.77Å; L113-F117 HydrophobicContact CD1-CD1 4.48Å; L113-F117 HydrophobicContact CD1-CE1 4.02Å; L113-F117 HydrophobicContact CD1-CE2 4.21Å; L113-F117 HydrophobicContact CD1-CZ 3.88Å; L113-F117 HydrophobicContact CD2-CE2 3.91Å; L113-F117 HydrophobicContact CD2-CZ 3.96Å; L113-F117 HydrophobicContact CG-CD2 4.18Å; L113-F117 HydrophobicContact CG-CE1 4.47Å; L113-F117 HydrophobicContact CG-CE2 3.76Å; L113-F117 HydrophobicContact CG-CZ 3.9Å; L113-F117 PolarHBondContact O-N 3.09Å; I114-F117 PolarHBondContact O-N 3.21Å; F117-V121 HydrophobicContact CB-CG2 4.4Å; F117-V121 HydrophobicContact CD1-CG2 4.15Å; F117-V121 WeakPolarHBondContact O-CB 3.39Å; F117-V121 WeakPolarHBondContact O-CG2 3.48Å
118V91.1Very high92.3Very high6 Ų642.9 Ų42.94%0.03624%0.24CC..Hα-helixtrans-74.3-46.5174.5176.40000110.3L10 I114 K115 Q116 A147 L148 Y151L10-V118 HydrophobicContact CD1-CB 4.25Å; L10-V118 HydrophobicContact CD1-CG1 3.45Å; L10-V118 VanDerWaalsContact CD1-CG1 3.45Å; L10-V118 WeakPolarHBondContact CD1-O 3.35Å; I114-V118 WeakPolarHBondContact O-CG2 3.48Å; I114-V118 PolarHBondContact O-N 3.27Å; K115-V118 PolarHBondContact O-N 3.06Å; Q116-V118 PolarHBondContact O-N 3.2Å; V118-A147 HydrophobicContact CB-CB 4.25Å; V118-A147 HydrophobicContact CG1-CB 4.4Å; V118-A147 HydrophobicContact CG2-CB 3.86Å; V118-L148 HydrophobicContact CG1-CD2 4.13Å; V118-L148 HydrophobicContact CG2-CD2 3.78Å; V118-L148 HydrophobicContact CG2-CG 4.09Å; V118-Y151 HydrophobicContact CG1-CD2 4.2Å; V118-Y151 HydrophobicContact CG1-CE2 3.62Å
119S89.9Confident92.9Very high53 Ų5338 Ų3837%0.37121%0.207SC..Hα-helixtrans-80.1-33.5-173.161.20000114.7N9 K115 Q116N9-S119 WeakPolarHBondContact CB-O 3.37Å; N9-S119 PolarHBondContact ND2-O 3.22Å; K115-S119 PolarHBondContact O-N 3.28Å; K115-S119 PolarHBondContact O-OG 3.16Å; K115-S119 VanDerWaalsContact O-OG 3.12Å; Q116-S119 PolarHBondContact O-N 3.47Å
120D92.2Very high93.4Very high55 Ų5532.3 Ų32.329%0.29418%0.183SC..Hα-helixtrans-112.7-8.2-161.1-63.610.3000113.5N9 G75 W76 Q116 A122N9-D120 WeakPolarHBondContact ND2-CA 3.47Å; G75-D120 CarbonylContact C-O 3.54Å; G75-D120 VanDerWaalsContact CA-O 3.27Å; G75-D120 WeakPolarHBondContact CA-O 3.4Å; W76-D120 PolarHBondContact N-O 3.28Å; Q116-D120 HydrophobicContact CG-CB 3.96Å; Q116-D120 WeakPolarHBondContact CG-OD2 3.14Å; Q116-D120 PolarHBondContact NE2-OD2 3.05Å; Q116-D120 WeakPolarHBondContact O-CA 3.43Å; Q116-D120 VanDerWaalsContact O-CB 3.29Å; Q116-D120 WeakPolarHBondContact O-CB 3.4Å; Q116-D120 PolarHBondContact O-N 2.96Å; D120-A122 PolarHBondContact O-N 2.94Å
121V95.1Very high93.9Very high0 Ų031.3 Ų31.30%018%0.179CC..BIsolated β-bridgetrans-81.7117.4-178.6-178.30000110N9 W76 P78 M90 F117 W123N9-V121 WeakPolarHBondContact CB-O 3.24Å; W76-V121 HydrophobicContact CB-CG2 4.41Å; W76-V121 HydrophobicContact CE3-CG2 4.12Å; W76-V121 CarbonylContact O-C 3.6Å; W76-V121 WeakPolarHBondContact O-CA 3.48Å; P78-V121 HydrophobicContact CB-CG1 4.18Å; M90-V121 HydrophobicContact CB-CG1 4.24Å; M90-V121 HydrophobicContact CB-CG2 4.42Å; M90-V121 HydrophobicContact CE-CG1 3.84Å; M90-V121 HydrophobicContact CE-CG2 3.94Å; M90-V121 HydrophobicContact CG-CG1 4.37Å; M90-V121 HydrophobicContact CG-CG2 3.76Å; M90-V121 HydrophobicContact SD-CG2 4.45Å; F117-V121 HydrophobicContact CB-CG2 4.4Å; F117-V121 HydrophobicContact CD1-CG2 4.15Å; F117-V121 WeakPolarHBondContact O-CB 3.39Å; F117-V121 WeakPolarHBondContact O-CG2 3.48Å; V121-W123 VanDerWaalsContact C-N 3.27Å; V121-W123 HydrophobicContact CB-CZ2 4.33Å; V121-W123 HydrophobicContact CG1-CD2 3.79Å; V121-W123 VanDerWaalsContact CG1-CE2 3.41Å; V121-W123 HydrophobicContact CG1-CE3 4.37Å; V121-W123 HydrophobicContact CG1-CG 4.14Å; V121-W123 HydrophobicContact CG1-CH2 4.31Å; V121-W123 HydrophobicContact CG1-CZ2 3.71Å; V121-W123 PolarHBondContact O-N 3.48Å
122A94.9Very high94.2Very high20 Ų2029.1 Ų29.117%0.16517%0.167CC..  trans-78.871.6-178.400000111.4R74 W76 P78 D120 G124R74-A122 HydrophobicContact CB-CB 3.83Å; W76-A122 PolarHBondContact O-N 2.93Å; P78-A122 WeakPolarHBondContact CD-O 3.46Å; D120-A122 PolarHBondContact O-N 2.94Å; A122-G124 VanDerWaalsContact C-N 3.27Å; A122-G124 PolarHBondContact O-N 3.42Å
123W95.1Very high94.4Very high4 Ų426.3 Ų26.32%0.01514%0.144CC..  trans-62.7-31.5179.9-66.3107000113.7I13 I48 L49 P78 M90 V121 L126 L129I13-W123 HydrophobicContact CD1-CB 4.06Å; I13-W123 HydrophobicContact CD1-CG 3.93Å; I13-W123 HydrophobicContact CG1-CB 4.44Å; I48-W123 WeakPolarHBondContact O-CH2 3.42Å; L49-W123 HydrophobicContact CB-CH2 4.21Å; L49-W123 HydrophobicContact CB-CZ2 3.91Å; L49-W123 HydrophobicContact CD1-CZ2 4.28Å; L49-W123 HydrophobicContact CG-CZ2 4.5Å; P78-W123 HydrophobicContact CB-CE3 4.13Å; P78-W123 HydrophobicContact CB-CZ3 3.96Å; P78-W123 HydrophobicContact CG-CE3 4.21Å; M90-W123 HydrophobicContact CB-CH2 3.59Å; M90-W123 HydrophobicContact CB-CZ2 3.8Å; V121-W123 VanDerWaalsContact C-N 3.27Å; V121-W123 HydrophobicContact CB-CZ2 4.33Å; V121-W123 HydrophobicContact CG1-CD2 3.79Å; V121-W123 VanDerWaalsContact CG1-CE2 3.41Å; V121-W123 HydrophobicContact CG1-CE3 4.37Å; V121-W123 HydrophobicContact CG1-CG 4.14Å; V121-W123 HydrophobicContact CG1-CH2 4.31Å; V121-W123 HydrophobicContact CG1-CZ2 3.71Å; V121-W123 PolarHBondContact O-N 3.48Å; W123-L126 HydrophobicContact CB-CD1 3.81Å; W123-L126 HydrophobicContact CB-CG 4.3Å; W123-L126 HydrophobicContact CD2-CD1 4.07Å; W123-L126 HydrophobicContact CE3-CD1 3.8Å; W123-L126 HydrophobicContact CG-CD1 4.12Å; W123-L129 HydrophobicContact CD2-CD1 4.16Å; W123-L129 HydrophobicContact CE3-CD1 4.26Å; W123-L129 HydrophobicContact CH2-CD1 3.88Å; W123-L129 HydrophobicContact CZ2-CD1 3.78Å; W123-L129 HydrophobicContact CZ3-CD1 4.13Å
124G92.9Very high94.4Very high38 Ų3825.9 Ų25.939%0.39214%0.142SC..  trans67-145.6-168.700000111.4A122A122-G124 VanDerWaalsContact C-N 3.27Å; A122-G124 PolarHBondContact O-N 3.42Å
125E95.4Very high94.2Very high127 Ų12727.8 Ų27.859%0.59315%0.154SC*.SBendtrans-83.4125.3178.4-60.8-58.8127.200111G12 K45G12-E125 WeakPolarHBondContact O-CA 3.48Å; K45-E125 WeakPolarHBondContact CD-O 3.42Å; K45-E125 VanDerWaalsContact CE-O 3.25Å; K45-E125 WeakPolarHBondContact CE-O 3.3Å; K45-E125 PolarHBondContact NZ-O 3.49Å
126L97.2Very high93.8Very high5 Ų522.8 Ų22.83%0.02614%0.136CC..EExtended strand (participates in β ladder)trans-134143.2175.4-61.1178.9000110.9G12 I13 R14 K45 W123 L129G12-L126 PolarHBondContact O-N 2.99Å; I13-L126 HydrophobicContact CD1-CD1 4.1Å; I13-L126 HydrophobicContact CG1-CB 4.23Å; I13-L126 HydrophobicContact CG1-CD1 4.16Å; I13-L126 HydrophobicContact CG1-CG 4.44Å; I13-L126 HydrophobicContact CG2-CB 4.33Å; R14-L126 PolarHBondContact N-O 3.41Å; K45-L126 HydrophobicContact CD-CD2 4.35Å; K45-L126 HydrophobicContact CG-CD2 3.89Å; W123-L126 HydrophobicContact CB-CD1 3.81Å; W123-L126 HydrophobicContact CB-CG 4.3Å; W123-L126 HydrophobicContact CD2-CD1 4.07Å; W123-L126 HydrophobicContact CE3-CD1 3.8Å; W123-L126 HydrophobicContact CG-CD1 4.12Å; L126-L129 HydrophobicContact CD1-CD1 4.42Å
127D97.7Very high93.1Very high34 Ų3423.8 Ų23.818%0.18215%0.147CC..EExtended strand (participates in β ladder)trans-74.6-41.4167.7-66.6-58.7000110.7R14 H15 K44 K45R14-D127 IonicContact NE-OD1 3.68Å; H15-D127 WeakPolarHBondContact CB-O 3.47Å; H15-D127 PolarHBondContact CD2-O 3.03Å; H15-D127 PolarHBondContact N-O 3.08Å; H15-D127 VanDerWaalsContact N-O 3.13Å; K44-D127 WeakPolarHBondContact CA-OD2 3.46Å; K44-D127 HydrophobicContact CB-CB 4.02Å; K44-D127 HydrophobicContact CD-CB 4.19Å; K45-D127 PolarHBondContact N-OD2 3.45Å; K45-D127 PolarHBondContact O-N 3.24Å
128Y98.4Very high92.7Very high11 Ų1125.4 Ų25.44%0.04316%0.159CC..EExtended strand (participates in β ladder)trans-136.8137.5-178-68.2-90.8000111.7H15 I17 L39 K44 K45 V46 G47 L263 T266H15-Y128 HydrophobicContact CB-CD1 3.69Å; H15-Y128 HydrophobicContact CB-CE1 3.78Å; H15-Y128 HydrophobicContact CB-CG 4.44Å; H15-Y128 AromaticContact CD2-CE1 3.89Å; H15-Y128 AromaticContact CD2-CZ 3.83Å; H15-Y128 CarbonylContact O-C 3.51Å; H15-Y128 VanDerWaalsContact O-CA 3.28Å; H15-Y128 WeakPolarHBondContact O-CA 3.21Å; I17-Y128 HydrophobicContact CD1-CD1 3.59Å; I17-Y128 HydrophobicContact CD1-CE1 3.93Å; I17-Y128 HydrophobicContact CG1-CD1 4.31Å; L39-Y128 HydrophobicContact CD1-CD1 4.12Å; L39-Y128 HydrophobicContact CD1-CD2 4.34Å; L39-Y128 HydrophobicContact CD1-CG 3.89Å; L39-Y128 HydrophobicContact CD2-CD2 4.35Å; L39-Y128 HydrophobicContact CD2-CE2 4.31Å; K44-Y128 HydrophobicContact CB-CD2 3.99Å; K44-Y128 HydrophobicContact CB-CE2 4.32Å; K44-Y128 HydrophobicContact CD-CE2 4.05Å; K44-Y128 HydrophobicContact CG-CD2 4.01Å; K44-Y128 HydrophobicContact CG-CE2 3.83Å; K45-Y128 PolarHBondContact O-N 3.11Å; V46-Y128 CarbonylContact C-O 3.54Å; V46-Y128 WeakPolarHBondContact CA-O 3.43Å; G47-Y128 PolarHBondContact N-O 3.3Å; Y128-L263 HydrophobicContact CE2-CD2 3.98Å; Y128-T266 HydrophobicContact CE1-CG2 4.14Å; Y128-T266 WeakPolarHBondContact OH-CB 3.39Å; Y128-T266 WeakPolarHBondContact OH-CG2 3.38Å
129L98.5Very high92.3Very high0 Ų031 Ų310%019%0.189CC..EExtended strand (participates in β ladder)trans-113.2114.2161.7179.167.5000108.8L10 I13 H15 I16 I17 G47 L49 W123 L126 V131L10-L129 HydrophobicContact CD2-CD2 3.59Å; I13-L129 HydrophobicContact CD1-CB 4.05Å; I13-L129 HydrophobicContact CD1-CD2 3.72Å; I13-L129 HydrophobicContact CD1-CG 4.34Å; I13-L129 HydrophobicContact CG2-CB 3.65Å; H15-L129 PolarHBondContact O-N 3.42Å; I16-L129 WeakPolarHBondContact CA-O 3.25Å; I16-L129 HydrophobicContact CG1-CB 4.29Å; I16-L129 HydrophobicContact CG1-CD2 4.41Å; I16-L129 HydrophobicContact CG2-CD2 4.41Å; I17-L129 PolarHBondContact N-O 3.3Å; G47-L129 CarbonylContact O-C 3.43Å; G47-L129 WeakPolarHBondContact O-CA 3.39Å; L49-L129 HydrophobicContact CB-CD1 4.1Å; W123-L129 HydrophobicContact CD2-CD1 4.16Å; W123-L129 HydrophobicContact CE3-CD1 4.26Å; W123-L129 HydrophobicContact CH2-CD1 3.88Å; W123-L129 HydrophobicContact CZ2-CD1 3.78Å; W123-L129 HydrophobicContact CZ3-CD1 4.13Å; L126-L129 HydrophobicContact CD1-CD1 4.42Å; L129-V131 HydrophobicContact CD2-CG2 4.06Å; L129-V131 HydrophobicContact CG-CG2 4Å
130V98.5Very high92.2Very high0 Ų030 Ų300%018%0.178CC..EExtended strand (participates in β ladder)trans-90121.1172.8-177.80000108.3V19 L35 A36 L39 V46 G47 I48 L49V19-V130 HydrophobicContact CG2-CG1 3.7Å; L35-V130 HydrophobicContact CD2-CG1 4.4Å; L35-V130 HydrophobicContact CD2-CG2 4.26Å; L35-V130 HydrophobicContact CG-CG2 4.39Å; A36-V130 HydrophobicContact CB-CG2 4.28Å; L39-V130 HydrophobicContact CD1-CG2 4.2Å; V46-V130 HydrophobicContact CG1-CG2 4.32Å; G47-V130 PolarHBondContact O-N 3.35Å; I48-V130 CarbonylContact C-O 3.55Å; I48-V130 VanDerWaalsContact CA-O 3.3Å; I48-V130 WeakPolarHBondContact CA-O 3.05Å; L49-V130 PolarHBondContact N-O 2.92Å
131V97.7Very high92Very high0 Ų027.4 Ų27.40%016%0.164CC..EExtended strand (participates in β ladder)trans-109.1112.8-179.8-174.30000109.3I16 I17 L18 V19 L49 V51 L129 T133 T144 L148I16-V131 HydrophobicContact CG2-CG2 3.89Å; I17-V131 PolarHBondContact O-N 3.38Å; L18-V131 HydrophobicContact CD2-CB 4.07Å; L18-V131 HydrophobicContact CD2-CG1 4.43Å; L18-V131 HydrophobicContact CD2-CG2 4.36Å; V19-V131 PolarHBondContact N-O 3.46Å; L49-V131 HydrophobicContact CB-CG1 4.49Å; L49-V131 HydrophobicContact CB-CG2 4.34Å; L49-V131 HydrophobicContact CD2-CG1 4.29Å; L49-V131 HydrophobicContact CD2-CG2 4.44Å; L49-V131 HydrophobicContact CG-CG1 4.37Å; L49-V131 CarbonylContact O-C 3.54Å; L49-V131 WeakPolarHBondContact O-CA 3.11Å; V51-V131 HydrophobicContact CG2-CG1 3.92Å; L129-V131 HydrophobicContact CD2-CG2 4.06Å; L129-V131 HydrophobicContact CG-CG2 4Å; V131-T133 HydrophobicContact CG1-CG2 4.3Å; V131-T133 PolarHBondContact O-N 3.36Å; V131-T144 HydrophobicContact CG1-CG2 4.16Å; V131-L148 HydrophobicContact CB-CD1 4.37Å; V131-L148 HydrophobicContact CG1-CD1 4Å; V131-L148 HydrophobicContact CG2-CD1 3.98Å
132D95.9Very high91.7Very high0 Ų030.1 Ų30.10%018%0.177CC..EExtended strand (participates in β ladder)trans-84.7100.6175.3-169.845.7000109.4K28 S29 S32 L49 V51 I58K28-D132 WeakPolarHBondContact CD-OD1 3.46Å; K28-D132 VanDerWaalsContact CG-OD1 3.32Å; K28-D132 WeakPolarHBondContact CG-OD1 3.38Å; K28-D132 IonicContact NZ-OD1 3.43Å; K28-D132 PolarHBondContact NZ-OD1 3.37Å; K28-D132 IonicContact NZ-OD2 3.99Å; K28-D132 PolarHBondContact NZ-OD2 3.37Å; S29-D132 WeakPolarHBondContact CB-OD2 3.45Å; S29-D132 PolarHBondContact OG-OD2 2.9Å; S32-D132 PolarHBondContact OG-OD1 3.21Å; L49-D132 PolarHBondContact O-N 2.95Å; V51-D132 WeakPolarHBondContact CG2-O 3.49Å; V51-D132 PolarHBondContact N-O 2.85Å; V51-D132 VanDerWaalsContact N-O 3.17Å; I58-D132 HydrophobicContact CD1-CB 3.33Å; I58-D132 WeakPolarHBondContact CD1-OD2 3.4Å
133T93.8Very high91.6Very high0 Ų029.4 Ų29.40%017%0.171CC..PPolyproline II helixtrans-79.6161.8-172.372.40000111.9V19 L20 K28 V131 T144V19-T133 PolarHBondContact O-N 3.34Å; V19-T133 PolarHBondContact O-OG1 3.04Å; L20-T133 HydrophobicContact CD2-CG2 3.4Å; L20-T133 WeakPolarHBondContact CD2-OG1 3.35Å; K28-T133 VanDerWaalsContact CD-O 3.3Å; K28-T133 WeakPolarHBondContact CD-O 3.47Å; K28-T133 WeakPolarHBondContact CE-O 3.42Å; K28-T133 PolarHBondContact NZ-O 2.83Å; V131-T133 HydrophobicContact CG1-CG2 4.3Å; V131-T133 PolarHBondContact O-N 3.36Å; T133-T144 HydrophobicContact CG2-CG2 4.17Å
134P90.4Very high91.5Very high5 Ų529.3 Ų29.33%0.03217%0.171CC..PPolyproline II helixtrans-56.6151.9165.1-22.834.4000111.8V51 E140 H141V51-P134 WeakPolarHBondContact O-CG 3.37Å; P134-E140 HydrophobicContact CB-CB 4.18Å; P134-E140 HydrophobicContact CG-CB 3.64Å; P134-H141 HydrophobicContact CB-CB 4.46Å; P134-H141 PolarHBondContact O-ND1 2.94Å; P134-H141 VanDerWaalsContact O-ND1 3.15Å
135P88.1Confident91.5Very high40 Ų4027.8 Ų27.826%0.2615%0.154SC..SBendtrans-76.4154.5176.331.3-35.1000112.8
136G83.8Confident91.3Very high14 Ų1426.6 Ų26.614%0.14415%0.148CC..SBendtrans67.8-164.4177.100000112.6S21 G22 S138 H141S21-G136 PolarHBondContact O-N 2.86Å; G22-G136 WeakPolarHBondContact O-CA 3.27Å; G136-S138 PolarHBondContact O-N 3.37Å; G136-H141 PolarHBondContact O-ND1 3.34Å
137T76.9Confident91.1Very high88 Ų8827.1 Ų27.154%0.5415%0.153SC..SBendtrans-102.650.3-177.661.70000111.8F176T137-F176 HydrophobicContact CG2-CB 4.11Å; T137-F176 HydrophobicContact CG2-CD2 3.9Å; T137-F176 HydrophobicContact CG2-CG 4.26Å
138S82.4Confident91Very high34 Ų3425.5 Ų25.524%0.23815%0.145CC..  trans-76.8167.6-17881.30000112.8G136 E140 H141 M142G136-S138 PolarHBondContact O-N 3.37Å; S138-E140 WeakPolarHBondContact CB-OE2 3.42Å; S138-E140 PolarHBondContact O-N 2.96Å; S138-E140 PolarHBondContact OG-N 3.17Å; S138-E140 PolarHBondContact OG-OE2 3.04Å; S138-H141 WeakPolarHBondContact O-CB 3.43Å; S138-H141 PolarHBondContact O-N 3.1Å; S138-H141 VanDerWaalsContact O-N 3.16Å; S138-H141 PolarHBondContact OG-N 2.91Å; S138-M142 PolarHBondContact O-N 3.44Å; S138-M142 VanDerWaalsContact O-N 3.07Å
139D84.4Confident90.7Very high124 Ų12431.5 Ų31.566%0.66317%0.167SC*.Hα-helixtrans-60.8-35174.2-72.4-14.2000111.7H141 M142 A143D139-H141 VanDerWaalsContact C-N 3.33Å; D139-M142 PolarHBondContact O-N 2.9Å; D139-A143 WeakPolarHBondContact O-CB 3.49Å; D139-A143 PolarHBondContact O-N 3.11Å
140E87.4Confident90.4Very high32 Ų3236.2 Ų36.215%0.1520%0.198CC..Hα-helixtrans-65.7-38.1175.8-58.397.5161.400111.7K110 I114 P134 S138 A143 T144K110-E140 HydrophobicContact CB-CG 4.33Å; K110-E140 HydrophobicContact CD-CG 3.97Å; K110-E140 VanDerWaalsContact CD-OE1 3.22Å; K110-E140 WeakPolarHBondContact CD-OE1 3.14Å; K110-E140 IonicContact NZ-OE1 2.69Å; K110-E140 PolarHBondContact NZ-OE1 3.03Å; I114-E140 HydrophobicContact CD1-CB 3.87Å; I114-E140 HydrophobicContact CD1-CG 4.4Å; P134-E140 HydrophobicContact CB-CB 4.18Å; P134-E140 HydrophobicContact CG-CB 3.64Å; S138-E140 WeakPolarHBondContact CB-OE2 3.42Å; S138-E140 PolarHBondContact O-N 2.96Å; S138-E140 PolarHBondContact OG-N 3.17Å; S138-E140 PolarHBondContact OG-OE2 3.04Å; E140-A143 PolarHBondContact O-N 2.8Å; E140-T144 PolarHBondContact O-N 3.36Å; E140-T144 PolarHBondContact O-OG1 3.32Å
141H88Confident90.1Very high0 Ų039.5 Ų39.50%021%0.211CC..Hα-helixtrans-62.5-50.6174.5-163.2146.5000110.1L20 P134 G136 S138 D139 A143 T144 I145 E173 F176L20-H141 WeakPolarHBondContact CD2-NE2 3.43Å; P134-H141 HydrophobicContact CB-CB 4.46Å; P134-H141 PolarHBondContact O-ND1 2.94Å; P134-H141 VanDerWaalsContact O-ND1 3.15Å; G136-H141 PolarHBondContact O-ND1 3.34Å; S138-H141 WeakPolarHBondContact O-CB 3.43Å; S138-H141 PolarHBondContact O-N 3.1Å; S138-H141 VanDerWaalsContact O-N 3.16Å; S138-H141 PolarHBondContact OG-N 2.91Å; D139-H141 VanDerWaalsContact C-N 3.33Å; H141-A143 VanDerWaalsContact C-N 3.33Å; H141-A143 PolarHBondContact O-N 2.89Å; H141-T144 WeakPolarHBondContact O-CB 3.26Å; H141-T144 PolarHBondContact O-N 2.86Å; H141-T144 VanDerWaalsContact O-N 3.13Å; H141-I145 PolarHBondContact O-N 3.49Å; H141-I145 VanDerWaalsContact O-N 3.11Å; H141-E173 IonicContact CE1-OE1 3.25Å; H141-E173 PolarHBondContact CE1-OE1 2.94Å; H141-E173 IonicContact NE2-OE1 3.61Å; H141-F176 AromaticContact CD2-CE1 3.69Å; H141-F176 AromaticContact CD2-CZ 3.51Å; H141-F176 AromaticContact NE2-CE1 3.39Å; H141-F176 WeakPolarHBondContact NE2-CE1 3.02Å; H141-F176 AromaticContact NE2-CZ 3.74Å
142M88.6Confident89.8Confident57 Ų5747.5 Ų47.528%0.28125%0.248SC..Hα-helixtrans-57.5-45176.4-79.4-61-55.900112.5S138 D139 T144 I145 E146 F176 T180S138-M142 PolarHBondContact O-N 3.44Å; S138-M142 VanDerWaalsContact O-N 3.07Å; D139-M142 PolarHBondContact O-N 2.9Å; M142-T144 VanDerWaalsContact C-N 3.27Å; M142-T144 PolarHBondContact O-N 3.09Å; M142-I145 PolarHBondContact O-N 2.7Å; M142-E146 WeakPolarHBondContact O-CB 3.34Å; M142-E146 WeakPolarHBondContact O-CG 3.37Å; M142-E146 PolarHBondContact O-N 3.44Å; M142-F176 HydrophobicContact CG-CE2 4.01Å; M142-F176 HydrophobicContact SD-CD2 4.25Å; M142-F176 HydrophobicContact SD-CE2 3.21Å; M142-F176 WeakPolarHBondContact SD-CE2 3.49Å; M142-F176 HydrophobicContact SD-CZ 3.64Å; M142-T180 HydrophobicContact CE-CG2 4.28Å; M142-T180 HydrophobicContact SD-CG2 3.91Å
143A91.6Very high89.7Confident5 Ų549.2 Ų49.24%0.04126%0.259CS..Hα-helixtrans-59.4-38.2177.600000112.2N111 I114 D139 E140 H141 A147N111-A143 HydrophobicContact CB-CB 4.3Å; I114-A143 HydrophobicContact CD1-CB 4.25Å; D139-A143 WeakPolarHBondContact O-CB 3.49Å; D139-A143 PolarHBondContact O-N 3.11Å; E140-A143 PolarHBondContact O-N 2.8Å; H141-A143 VanDerWaalsContact C-N 3.33Å; H141-A143 PolarHBondContact O-N 2.89Å; A143-A147 VanDerWaalsContact O-CB 3.26Å; A143-A147 WeakPolarHBondContact O-CB 3.2Å; A143-A147 PolarHBondContact O-N 3.1Å
144T93.2Very high89.7Confident1 Ų150.6 Ų50.61%0.00627%0.266CS..Hα-helixtrans-63-49.3176.1-57.90000111.2V51 V131 T133 E140 H141 M142 E146 A147 L148V51-T144 HydrophobicContact CG2-CG2 3.87Å; V131-T144 HydrophobicContact CG1-CG2 4.16Å; T133-T144 HydrophobicContact CG2-CG2 4.17Å; E140-T144 PolarHBondContact O-N 3.36Å; E140-T144 PolarHBondContact O-OG1 3.32Å; H141-T144 WeakPolarHBondContact O-CB 3.26Å; H141-T144 PolarHBondContact O-N 2.86Å; H141-T144 VanDerWaalsContact O-N 3.13Å; M142-T144 VanDerWaalsContact C-N 3.27Å; M142-T144 PolarHBondContact O-N 3.09Å; T144-E146 PolarHBondContact O-N 3.04Å; T144-A147 PolarHBondContact O-N 3.43Å; T144-L148 HydrophobicContact CG2-CD1 3.9Å; T144-L148 WeakPolarHBondContact O-CB 3.37Å; T144-L148 WeakPolarHBondContact O-CG 3.47Å; T144-L148 PolarHBondContact O-N 2.96Å
145I93.1Very high90Very high7 Ų750.3 Ų50.34%0.03627%0.265CS..Hα-helixtrans-64.6-42.1-179.8-60.3-57.6000111.3L18 H141 M142 L148 R149 F176 V182L18-I145 HydrophobicContact CD1-CD1 3.57Å; L18-I145 HydrophobicContact CD2-CD1 4.42Å; H141-I145 PolarHBondContact O-N 3.49Å; H141-I145 VanDerWaalsContact O-N 3.11Å; M142-I145 PolarHBondContact O-N 2.7Å; I145-L148 PolarHBondContact O-N 3.25Å; I145-R149 WeakPolarHBondContact O-CB 3.42Å; I145-R149 PolarHBondContact O-N 3.19Å; I145-F176 HydrophobicContact CG1-CE1 3.95Å; I145-F176 HydrophobicContact CG1-CZ 3.93Å; I145-V182 HydrophobicContact CD1-CG2 4.22Å; I145-V182 HydrophobicContact CG2-CG2 3.79Å
146E92.3Very high90.4Very high101 Ų10148.4 Ų48.447%0.47225%0.253SS..Hα-helixtrans-64-42.5177.4-73.6179.2179.100112.2M142 T144 L148 R149M142-E146 WeakPolarHBondContact O-CB 3.34Å; M142-E146 WeakPolarHBondContact O-CG 3.37Å; M142-E146 PolarHBondContact O-N 3.44Å; T144-E146 PolarHBondContact O-N 3.04Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 2.68Å; E146-R149 PolarHBondContact O-N 3.01Å
147A93Very high91Very high16 Ų1647.8 Ų47.813%0.13225%0.246CC..Hα-helixtrans-64.9-37.417800000112.1K115 V118 A143 T144 P150K115-A147 HydrophobicContact CG-CB 4.34Å; V118-A147 HydrophobicContact CB-CB 4.25Å; V118-A147 HydrophobicContact CG1-CB 4.4Å; V118-A147 HydrophobicContact CG2-CB 3.86Å; A143-A147 VanDerWaalsContact O-CB 3.26Å; A143-A147 WeakPolarHBondContact O-CB 3.2Å; A143-A147 PolarHBondContact O-N 3.1Å; T144-A147 PolarHBondContact O-N 3.43Å; A147-P150 WeakPolarHBondContact O-CD 3.06Å
148L94Very high91.9Very high1 Ų143.6 Ų43.61%0.00522%0.22CC..Hα-helixtrans-84.8-18.1-178.8-69.6170.8000114L10 L18 V118 V131 T144 I145 E146 Y151 P153L10-L148 HydrophobicContact CD2-CD2 3.75Å; L18-L148 HydrophobicContact CD2-CD1 3.49Å; L18-L148 VanDerWaalsContact CD2-CD1 3.49Å; V118-L148 HydrophobicContact CG1-CD2 4.13Å; V118-L148 HydrophobicContact CG2-CD2 3.78Å; V118-L148 HydrophobicContact CG2-CG 4.09Å; V131-L148 HydrophobicContact CB-CD1 4.37Å; V131-L148 HydrophobicContact CG1-CD1 4Å; V131-L148 HydrophobicContact CG2-CD1 3.98Å; T144-L148 HydrophobicContact CG2-CD1 3.9Å; T144-L148 WeakPolarHBondContact O-CB 3.37Å; T144-L148 WeakPolarHBondContact O-CG 3.47Å; T144-L148 PolarHBondContact O-N 2.96Å; I145-L148 PolarHBondContact O-N 3.25Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 2.68Å; L148-Y151 PolarHBondContact O-N 3.38Å; L148-P153 HydrophobicContact CB-CG 4Å; L148-P153 WeakPolarHBondContact O-CD 3.37Å
149R92.3Very high92.6Very high136 Ų13642 Ų4251%0.51321%0.209SC..G310 helixtrans-50.3-42.5-177.7-175.9-178.7-69.5172.40.4114.4I145 E146 Y151 Q152I145-R149 WeakPolarHBondContact O-CB 3.42Å; I145-R149 PolarHBondContact O-N 3.19Å; E146-R149 PolarHBondContact O-N 3.01Å; R149-Y151 PolarHBondContact O-N 2.58Å; R149-Y151 VanDerWaalsContact O-N 3.16Å; R149-Q152 PolarHBondContact O-N 3.33Å; R149-Q152 VanDerWaalsContact O-N 3.16Å
150P92.3Very high93Very high99 Ų9936.2 Ų36.264%0.64318%0.178SC*.G310 helixtrans-60.1-24.6178.9-24.436.1000114A147A147-P150 WeakPolarHBondContact O-CD 3.06Å
151Y92Very high93.2Very high70 Ų7035 Ų3528%0.27517%0.173SC..G310 helixtrans-95.38.6-177.4-54.4-80000113.4L10 I16 V118 L148 R149L10-Y151 HydrophobicContact CB-CD1 3.62Å; L10-Y151 HydrophobicContact CB-CD2 4.39Å; L10-Y151 HydrophobicContact CB-CE1 3.73Å; L10-Y151 HydrophobicContact CB-CE2 4.49Å; L10-Y151 HydrophobicContact CB-CG 3.96Å; L10-Y151 HydrophobicContact CD1-CD2 4.11Å; L10-Y151 HydrophobicContact CD1-CE1 4.22Å; L10-Y151 HydrophobicContact CD1-CE2 3.73Å; L10-Y151 HydrophobicContact CD1-CG 4.49Å; L10-Y151 HydrophobicContact CD2-CD2 4.46Å; L10-Y151 HydrophobicContact CD2-CG 4.49Å; I16-Y151 HydrophobicContact CD1-CG 4.49Å; V118-Y151 HydrophobicContact CG1-CD2 4.2Å; V118-Y151 HydrophobicContact CG1-CE2 3.62Å; L148-Y151 PolarHBondContact O-N 3.38Å; R149-Y151 PolarHBondContact O-N 2.58Å; R149-Y151 VanDerWaalsContact O-N 3.16Å
152Q91.6Very high93Very high168 Ų16835.2 Ų35.279%0.78517%0.174SC*.  trans46.767.6173.5-57.8-179-0.300113.7R149 L154R149-Q152 PolarHBondContact O-N 3.33Å; R149-Q152 VanDerWaalsContact O-N 3.16Å; Q152-L154 PolarHBondContact O-N 3.35Å
153P94.1Very high92.4Very high35 Ų3535.7 Ų35.723%0.22718%0.176CC..  trans-52.4140.3179.3-24.934.5000112.1I16 L18 L148 G155I16-P153 HydrophobicContact CB-CB 4.24Å; I16-P153 HydrophobicContact CG2-CB 4.2Å; I16-P153 HydrophobicContact CG2-CG 4.42Å; I16-P153 CarbonylContact O-C 3.49Å; L18-P153 HydrophobicContact CD1-CB 4.09Å; L18-P153 HydrophobicContact CD1-CG 4.4Å; L18-P153 HydrophobicContact CG-CB 4.16Å; L148-P153 HydrophobicContact CB-CG 4Å; L148-P153 WeakPolarHBondContact O-CD 3.37Å; P153-G155 PolarHBondContact O-N 3.37Å
154L94.7Very high90.7Very high29 Ų2939.5 Ų39.515%0.15221%0.207CC..  trans-56.8-38.1-179.6178.363.6000111.2H15 I16 I17 Q152 M185 T266H15-L154 HydrophobicContact CB-CD2 4.33Å; I16-L154 WeakPolarHBondContact O-CB 3.42Å; I16-L154 PolarHBondContact O-N 3.02Å; I17-L154 HydrophobicContact CG1-CD2 4.31Å; Q152-L154 PolarHBondContact O-N 3.35Å; L154-M185 HydrophobicContact CD2-CE 3.64Å; L154-M185 HydrophobicContact CD2-SD 4.07Å; L154-M185 HydrophobicContact CG-CE 4.08Å; L154-M185 HydrophobicContact CG-SD 4.01Å; L154-T266 HydrophobicContact CD2-CG2 3.83Å; L154-T266 WeakPolarHBondContact CD2-OG1 3.39Å
155G95.8Very high89Confident0 Ų044.7 Ų44.70%024%0.239CC..EExtended strand (participates in β ladder)trans159.6-165.1172.700000112.5L18 P153 R183L18-G155 PolarHBondContact N-O 2.89Å; P153-G155 PolarHBondContact O-N 3.37Å; G155-R183 CarbonylContact C-O 3.58Å; G155-R183 WeakPolarHBondContact CA-O 3.27Å
156A96.6Very high87.6Confident0 Ų044.5 Ų44.50%024%0.238CC..EExtended strand (participates in β ladder)trans-120.4136.5-176.400000112.6L18 L20 V182 R183 M185L18-A156 HydrophobicContact CB-CB 4.13Å; L18-A156 CarbonylContact O-C 3.47Å; L18-A156 VanDerWaalsContact O-CA 3.27Å; L18-A156 WeakPolarHBondContact O-CA 3.44Å; L20-A156 HydrophobicContact CD1-CB 3.53Å; L20-A156 HydrophobicContact CG-CB 3.81Å; A156-V182 HydrophobicContact CB-CG1 3.61Å; A156-R183 PolarHBondContact N-O 3.36Å; A156-M185 PolarHBondContact O-N 2.6Å
157L97.1Very high86.6Confident0 Ų042.2 Ų42.20%023%0.231CC..EExtended strand (participates in β ladder)trans-91.5128.2161.4-59.9172.6000108.3I17 L18 V19 L20 L35 M185 L223 I262I17-L157 HydrophobicContact CG2-CD1 3.85Å; I17-L157 HydrophobicContact CG2-CG 3.96Å; L18-L157 PolarHBondContact O-N 3.48Å; V19-L157 HydrophobicContact CG2-CD1 4.45Å; L20-L157 PolarHBondContact N-O 3.36Å; L35-L157 HydrophobicContact CD2-CD1 3.33Å; L157-M185 HydrophobicContact CD2-CB 4.1Å; L157-L223 HydrophobicContact CD2-CD1 3.15Å; L157-I262 HydrophobicContact CD1-CD1 3.64Å; L157-I262 HydrophobicContact CD2-CD1 3.84Å; L157-I262 HydrophobicContact CD2-CG1 4.15Å; L157-I262 HydrophobicContact CG-CD1 4.36Å
158V96.4Very high85.7Confident0 Ų043.3 Ų43.30%024%0.243CC..EExtended strand (participates in β ladder)trans-104.8115.1177.5-176.60000109.2V170 E173 L174 V184 G186 V187 V188V158-V170 HydrophobicContact CG1-CG1 3.93Å; V158-E173 HydrophobicContact CG1-CB 4.19Å; V158-E173 HydrophobicContact CG1-CG 3.95Å; V158-E173 HydrophobicContact CG2-CG 4.47Å; V158-L174 HydrophobicContact CG2-CD2 4.06Å; V158-V184 HydrophobicContact CG2-CG1 4.23Å; V158-G186 PolarHBondContact N-O 3.08Å; V158-V187 HydrophobicContact CB-CG2 4.43Å; V158-V187 CarbonylContact O-C 3.33Å; V158-V187 WeakPolarHBondContact O-CA 3.47Å; V158-V188 PolarHBondContact O-N 3.06Å
159V95.5Very high85Confident0 Ų044.7 Ų44.70%025%0.251CS..EExtended strand (participates in β ladder)trans-92.7133.9-179.3-174.50000110.1V19 L20 V26 I31 V188 N190V19-V159 HydrophobicContact CG1-CG2 3.63Å; L20-V159 PolarHBondContact O-N 2.95Å; V26-V159 HydrophobicContact CG2-CB 4.36Å; V26-V159 HydrophobicContact CG2-CG1 4.05Å; I31-V159 HydrophobicContact CB-CG2 3.95Å; I31-V159 HydrophobicContact CG1-CG1 3.88Å; I31-V159 HydrophobicContact CG1-CG2 4.13Å; I31-V159 HydrophobicContact CG2-CG2 3.97Å; V159-V188 WeakPolarHBondContact CA-O 3.47Å; V159-N190 HydrophobicContact CG1-CB 4.11Å
160T93Very high84.5Confident3 Ų338.3 Ų38.32%0.01823%0.227CC..EExtended strand (participates in β ladder)trans-142.4177.5177.3-167.40000112.2S166 V170 V187 V188 E189 N190T160-S166 WeakPolarHBondContact OG1-CB 3.41Å; T160-S166 PolarHBondContact OG1-OG 2.88Å; T160-V170 HydrophobicContact CG2-CG2 4.1Å; T160-V170 WeakPolarHBondContact OG1-CG2 3.4Å; T160-V187 HydrophobicContact CG2-CG1 3.93Å; T160-V188 PolarHBondContact N-O 3.23Å; T160-E189 HydrophobicContact CG2-CB 4.38Å; T160-E189 HydrophobicContact CG2-CG 4.42Å; T160-N190 PolarHBondContact O-N 3.47Å
161T91.1Very high84.2Confident8 Ų842 Ų425%0.04923%0.228CC..  trans-119.5160.7167.2620000110.7V26 Q163 S166 N190 M191V26-T161 HydrophobicContact CB-CG2 3.98Å; V26-T161 HydrophobicContact CG1-CG2 4.12Å; T161-Q163 PolarHBondContact O-N 2.99Å; T161-Q163 VanDerWaalsContact O-N 3.13Å; T161-S166 PolarHBondContact O-OG 3.09Å; T161-N190 WeakPolarHBondContact CA-O 3.37Å; T161-M191 HydrophobicContact CG2-CB 4.31Å; T161-M191 HydrophobicContact CG2-CG 4.28Å; T161-M191 HydrophobicContact CG2-SD 4.02Å
162P83.9Confident84Confident3 Ų346.9 Ų46.92%0.01925%0.246CC..SBendtrans-67.2-10.5-176.5-21.127.5000117E189 N190 S207P162-E189 WeakPolarHBondContact CA-OE2 3.45Å; P162-E189 HydrophobicContact CB-CG 4.42Å; P162-E189 HydrophobicContact CG-CG 3.8Å; P162-N190 VanDerWaalsContact CD-O 3.26Å; P162-N190 WeakPolarHBondContact CD-O 3.48Å; P162-S207 WeakPolarHBondContact CB-O 3.45Å; P162-S207 WeakPolarHBondContact CG-O 3.2Å; P162-S207 PolarHBondContact O-OG 3.21Å
163Q76.2Confident83.9Confident68 Ų6838.9 Ų38.932%0.31821%0.209SC..SBendtrans-70.2138.4-170.2-65.6172.1-1400111.2T161 V165 S166 F206T161-Q163 PolarHBondContact O-N 2.99Å; T161-Q163 VanDerWaalsContact O-N 3.13Å; Q163-V165 PolarHBondContact O-N 3.48Å; Q163-S166 WeakPolarHBondContact O-CB 3.34Å; Q163-S166 PolarHBondContact O-N 3.12Å; Q163-S166 PolarHBondContact O-OG 3.13Å; Q163-F206 HydrophobicContact CG-CB 4.46Å; Q163-F206 HydrophobicContact CG-CD1 4.43Å; Q163-F206 HydrophobicContact CG-CG 4.37Å
164A56.6Low83.8Confident84 Ų8437.7 Ų37.769%0.69420%0.2SC*.Hα-helixtrans-55.4-27.1-177.600000114.8S166 V167A164-S166 VanDerWaalsContact C-N 3.28Å; A164-S166 PolarHBondContact O-N 3.4Å; A164-V167 PolarHBondContact O-N 3.47Å
165V58Low83.7Confident111 Ų11138.9 Ų38.967%0.67321%0.208SC*.Hα-helixtrans-65.6-29.7176.4-172.60000112Q163Q163-V165 PolarHBondContact O-N 3.48Å
166S63.7Low83.5Confident2 Ų239.7 Ų39.71%0.01421%0.212CC..Hα-helixtrans-76.6-19.5179.571.50000113.3T160 T161 Q163 A164 G168 D169 V170T160-S166 WeakPolarHBondContact OG1-CB 3.41Å; T160-S166 PolarHBondContact OG1-OG 2.88Å; T161-S166 PolarHBondContact O-OG 3.09Å; Q163-S166 WeakPolarHBondContact O-CB 3.34Å; Q163-S166 PolarHBondContact O-N 3.12Å; Q163-S166 PolarHBondContact O-OG 3.13Å; A164-S166 VanDerWaalsContact C-N 3.28Å; A164-S166 PolarHBondContact O-N 3.4Å; S166-G168 VanDerWaalsContact C-N 3.31Å; S166-G168 PolarHBondContact O-N 3Å; S166-D169 PolarHBondContact O-N 3.43Å; S166-D169 VanDerWaalsContact O-N 3.13Å; S166-V170 WeakPolarHBondContact O-CG2 3.35Å; S166-V170 PolarHBondContact O-N 2.85Å
167V69.9Low83.3Confident54 Ų5439.7 Ų39.733%0.32721%0.212SC..Hα-helixtrans-62.6-39.9-177.1177.80000111.1A164 R171 L214A164-V167 PolarHBondContact O-N 3.47Å; V167-R171 WeakPolarHBondContact O-CB 3.48Å; V167-R171 PolarHBondContact O-N 2.95Å; V167-L214 HydrophobicContact CG1-CD1 4.22Å; V167-L214 HydrophobicContact CG1-CD2 4.21Å
168G74.9Confident83.1Confident38 Ų3848.5 Ų48.539%0.39225%0.245SC..Hα-helixtrans-63.2-41.6174.900000112.5S166 R171 R172S166-G168 VanDerWaalsContact C-N 3.31Å; S166-G168 PolarHBondContact O-N 3Å; G168-R171 PolarHBondContact O-N 3.43Å; G168-R172 WeakPolarHBondContact O-CG 3.42Å; G168-R172 PolarHBondContact O-N 3.19Å; G168-R172 VanDerWaalsContact O-N 3.11Å
169D78.7Confident82.9Confident31 Ų3156.9 Ų56.917%0.16628%0.282CS..Hα-helixtrans-69.7-43.5-178.4-62.5-29.3000111.5K23 S166 R171 R172 E173K23-D169 VanDerWaalsContact CD-OD2 3.28Å; K23-D169 WeakPolarHBondContact CD-OD2 3.23Å; K23-D169 HydrophobicContact CG-CB 4.43Å; S166-D169 PolarHBondContact O-N 3.43Å; S166-D169 VanDerWaalsContact O-N 3.13Å; D169-R171 PolarHBondContact O-N 3.12Å; D169-R172 WeakPolarHBondContact O-CB 3.45Å; D169-R172 PolarHBondContact O-N 2.74Å; D169-E173 PolarHBondContact O-N 3.49Å
170V82Confident82.7Confident2 Ų257.9 Ų57.91%0.01229%0.288CS..Hα-helixtrans-67.1-37.6176178.20000111.6V158 T160 S166 R172 E173 L174 L214V158-V170 HydrophobicContact CG1-CG1 3.93Å; T160-V170 HydrophobicContact CG2-CG2 4.1Å; T160-V170 WeakPolarHBondContact OG1-CG2 3.4Å; S166-V170 WeakPolarHBondContact O-CG2 3.35Å; S166-V170 PolarHBondContact O-N 2.85Å; V170-R172 VanDerWaalsContact C-N 3.25Å; V170-R172 PolarHBondContact O-N 2.86Å; V170-E173 WeakPolarHBondContact O-CB 3.43Å; V170-E173 PolarHBondContact O-N 3.44Å; V170-E173 VanDerWaalsContact O-N 3.11Å; V170-L174 HydrophobicContact CG1-CD1 3.87Å; V170-L174 HydrophobicContact CG1-CG 4.1Å; V170-L174 WeakPolarHBondContact O-CB 3.5Å; V170-L174 VanDerWaalsContact O-CG 3.3Å; V170-L174 WeakPolarHBondContact O-CG 3.37Å; V170-L174 PolarHBondContact O-N 2.98Å; V170-L214 HydrophobicContact CB-CD2 3.27Å; V170-L214 HydrophobicContact CG1-CD2 3.21Å; V170-L214 HydrophobicContact CG1-CG 4.17Å; V170-L214 HydrophobicContact CG2-CD2 4.24Å
171R85.7Confident82.7Confident177 Ų17761 Ų6167%0.66832%0.321SS*.Hα-helixtrans-60.6-38.4174.3-178.6177.8168.7-179.8-2.1111.4V167 G168 D169 T175 L214V167-R171 WeakPolarHBondContact O-CB 3.48Å; V167-R171 PolarHBondContact O-N 2.95Å; G168-R171 PolarHBondContact O-N 3.43Å; D169-R171 PolarHBondContact O-N 3.12Å; R171-T175 WeakPolarHBondContact O-CB 3.45Å; R171-T175 PolarHBondContact O-N 2.88Å; R171-T175 PolarHBondContact O-OG1 2.92Å; R171-L214 HydrophobicContact CB-CD1 4.47Å
172R88.2Confident82.8Confident171 Ų17161.7 Ų61.765%0.64533%0.325SS*.Hα-helixtrans-63.6-44.1173.3-71.9170.6177.5176.1-2110.8G168 D169 V170 T175 F176G168-R172 WeakPolarHBondContact O-CG 3.42Å; G168-R172 PolarHBondContact O-N 3.19Å; G168-R172 VanDerWaalsContact O-N 3.11Å; D169-R172 WeakPolarHBondContact O-CB 3.45Å; D169-R172 PolarHBondContact O-N 2.74Å; V170-R172 VanDerWaalsContact C-N 3.25Å; V170-R172 PolarHBondContact O-N 2.86Å; R172-T175 CarbonylContact O-C 3.58Å; R172-T175 WeakPolarHBondContact O-CB 3.41Å; R172-T175 PolarHBondContact O-N 2.98Å; R172-F176 WeakPolarHBondContact O-CB 3.34Å; R172-F176 PolarHBondContact O-N 2.8Å
173E90.9Very high83.4Confident1 Ų168.7 Ų68.71%0.00535%0.351CS..Hα-helixtrans-63.8-42.2179-15955.2-135.600113L20 H141 V158 D169 V170 T175 F176 C177L20-E173 HydrophobicContact CB-CG 4.03Å; H141-E173 IonicContact CE1-OE1 3.25Å; H141-E173 PolarHBondContact CE1-OE1 2.94Å; H141-E173 IonicContact NE2-OE1 3.61Å; V158-E173 HydrophobicContact CG1-CB 4.19Å; V158-E173 HydrophobicContact CG1-CG 3.95Å; V158-E173 HydrophobicContact CG2-CG 4.47Å; D169-E173 PolarHBondContact O-N 3.49Å; V170-E173 WeakPolarHBondContact O-CB 3.43Å; V170-E173 PolarHBondContact O-N 3.44Å; V170-E173 VanDerWaalsContact O-N 3.11Å; E173-T175 VanDerWaalsContact C-N 3.32Å; E173-T175 PolarHBondContact O-N 2.8Å; E173-F176 VanDerWaalsContact O-CB 3.32Å; E173-F176 WeakPolarHBondContact O-CB 3.32Å; E173-F176 PolarHBondContact O-N 2.76Å; E173-C177 PolarHBondContact O-N 3.46Å; E173-C177 PolarHBondContact O-SG 2.81Å
174L91.7Very high84.4Confident10 Ų1066.7 Ų66.75%0.05234%0.343CS..Hα-helixtrans-66.9-35.6174.6-67171.8000111.8V158 V170 R178 V184 V187 L214 A218 V220V158-L174 HydrophobicContact CG2-CD2 4.06Å; V170-L174 HydrophobicContact CG1-CD1 3.87Å; V170-L174 HydrophobicContact CG1-CG 4.1Å; V170-L174 WeakPolarHBondContact O-CB 3.5Å; V170-L174 VanDerWaalsContact O-CG 3.3Å; V170-L174 WeakPolarHBondContact O-CG 3.37Å; V170-L174 PolarHBondContact O-N 2.98Å; L174-R178 PolarHBondContact O-N 3.02Å; L174-R178 VanDerWaalsContact O-N 3.13Å; L174-V184 HydrophobicContact CD2-CB 4.46Å; L174-V184 HydrophobicContact CD2-CG1 3.87Å; L174-V184 HydrophobicContact CD2-CG2 3.89Å; L174-V187 HydrophobicContact CD2-CG2 4.5Å; L174-L214 HydrophobicContact CD1-CG 4.28Å; L174-A218 HydrophobicContact CD1-CB 3.57Å; L174-V220 HydrophobicContact CD2-CG2 4.17Å
175T91.1Very high86.3Confident53 Ų5363.6 Ų63.633%0.32531%0.314SS..Hα-helixtrans-67.3-39.4173.4-57.80000111R171 R172 E173 R178 K179R171-T175 WeakPolarHBondContact O-CB 3.45Å; R171-T175 PolarHBondContact O-N 2.88Å; R171-T175 PolarHBondContact O-OG1 2.92Å; R172-T175 CarbonylContact O-C 3.58Å; R172-T175 WeakPolarHBondContact O-CB 3.41Å; R172-T175 PolarHBondContact O-N 2.98Å; E173-T175 VanDerWaalsContact C-N 3.32Å; E173-T175 PolarHBondContact O-N 2.8Å; T175-R178 PolarHBondContact O-N 3.21Å; T175-K179 HydrophobicContact CG2-CD 4.33Å; T175-K179 WeakPolarHBondContact O-CG 3.36Å; T175-K179 PolarHBondContact O-N 3.11Å
176F91.9Very high88.1Confident18 Ų1858.3 Ų58.38%0.07928%0.282CS..Hα-helixtrans-58.3-53.3174.2171.2-89.1000110.6T137 H141 M142 I145 R172 E173 R178 K179 T180T137-F176 HydrophobicContact CG2-CB 4.11Å; T137-F176 HydrophobicContact CG2-CD2 3.9Å; T137-F176 HydrophobicContact CG2-CG 4.26Å; H141-F176 AromaticContact CD2-CE1 3.69Å; H141-F176 AromaticContact CD2-CZ 3.51Å; H141-F176 AromaticContact NE2-CE1 3.39Å; H141-F176 WeakPolarHBondContact NE2-CE1 3.02Å; H141-F176 AromaticContact NE2-CZ 3.74Å; M142-F176 HydrophobicContact CG-CE2 4.01Å; M142-F176 HydrophobicContact SD-CD2 4.25Å; M142-F176 HydrophobicContact SD-CE2 3.21Å; M142-F176 WeakPolarHBondContact SD-CE2 3.49Å; M142-F176 HydrophobicContact SD-CZ 3.64Å; I145-F176 HydrophobicContact CG1-CE1 3.95Å; I145-F176 HydrophobicContact CG1-CZ 3.93Å; R172-F176 WeakPolarHBondContact O-CB 3.34Å; R172-F176 PolarHBondContact O-N 2.8Å; E173-F176 VanDerWaalsContact O-CB 3.32Å; E173-F176 WeakPolarHBondContact O-CB 3.32Å; E173-F176 PolarHBondContact O-N 2.76Å; F176-R178 VanDerWaalsContact C-N 3.27Å; F176-R178 PolarHBondContact O-N 3.23Å; F176-K179 PolarHBondContact O-N 3.33Å; F176-T180 HydrophobicContact CD1-CG2 4.36Å; F176-T180 HydrophobicContact CD2-CG2 4.18Å; F176-T180 HydrophobicContact CE1-CG2 4.05Å; F176-T180 HydrophobicContact CE2-CG2 3.92Å; F176-T180 HydrophobicContact CG-CG2 4.4Å; F176-T180 HydrophobicContact CZ-CG2 3.81Å; F176-T180 PolarHBondContact O-N 3.01Å; F176-T180 PolarHBondContact O-OG1 3.38Å
177C93.8Very high89.7Confident0 Ų058.2 Ų58.20%028%0.282CS..Hα-helixtrans-52.9-45.5177-67.20000112L20 E173 K179 T180 G181 V182 V184L20-C177 WeakPolarHBondContact CD1-SG 3.4Å; E173-C177 PolarHBondContact O-N 3.46Å; E173-C177 PolarHBondContact O-SG 2.81Å; C177-K179 VanDerWaalsContact C-N 3.35Å; C177-K179 PolarHBondContact O-N 3.13Å; C177-T180 PolarHBondContact O-N 3.49Å; C177-T180 PolarHBondContact O-OG1 2.85Å; C177-G181 PolarHBondContact O-N 2.89Å; C177-V182 HydrophobicContact CB-CB 4.32Å; C177-V182 WeakPolarHBondContact CB-O 3.5Å; C177-V182 PolarHBondContact O-N 3.45Å; C177-V184 HydrophobicContact CB-CG2 3.59Å
178R92.7Very high91Very high185 Ų18555.6 Ų55.670%0.69827%0.266SS*.Hα-helixtrans-61.2-41.4177.1-170.3-175.6-56.8176.91.1112.6L174 T175 F176L174-R178 PolarHBondContact O-N 3.02Å; L174-R178 VanDerWaalsContact O-N 3.13Å; T175-R178 PolarHBondContact O-N 3.21Å; F176-R178 VanDerWaalsContact C-N 3.27Å; F176-R178 PolarHBondContact O-N 3.23Å
179K92Very high91.9Very high176 Ų17653.8 Ų53.877%0.76525%0.247SC*.Hα-helixtrans-72.7-33.9179.9-74.8-178.4175.6-1730112.7T175 F176 C177T175-K179 HydrophobicContact CG2-CD 4.33Å; T175-K179 WeakPolarHBondContact O-CG 3.36Å; T175-K179 PolarHBondContact O-N 3.11Å; F176-K179 PolarHBondContact O-N 3.33Å; C177-K179 VanDerWaalsContact C-N 3.35Å; C177-K179 PolarHBondContact O-N 3.13Å
180T91.3Very high92.6Very high21 Ų2152.7 Ų52.713%0.12924%0.241CC..Hα-helixtrans-89.7-5.6-178.656.70000113.3M142 F176 C177 V182M142-T180 HydrophobicContact CE-CG2 4.28Å; M142-T180 HydrophobicContact SD-CG2 3.91Å; F176-T180 HydrophobicContact CD1-CG2 4.36Å; F176-T180 HydrophobicContact CD2-CG2 4.18Å; F176-T180 HydrophobicContact CE1-CG2 4.05Å; F176-T180 HydrophobicContact CE2-CG2 3.92Å; F176-T180 HydrophobicContact CG-CG2 4.4Å; F176-T180 HydrophobicContact CZ-CG2 3.81Å; F176-T180 PolarHBondContact O-N 3.01Å; F176-T180 PolarHBondContact O-OG1 3.38Å; C177-T180 PolarHBondContact O-N 3.49Å; C177-T180 PolarHBondContact O-OG1 2.85Å; T180-V182 VanDerWaalsContact C-N 3.28Å; T180-V182 WeakPolarHBondContact OG1-CG2 3.33Å
181G91.6Very high93.1Very high68 Ų6855.1 Ų55.170%0.70125%0.253SS*.THydrogen-bonded Turntrans77.311.7-179.200000113.8C177 R183C177-G181 PolarHBondContact O-N 2.89Å; G181-R183 PolarHBondContact O-N 3.31Å
182V94.9Very high93.2Very high22 Ų2247.1 Ų47.113%0.13322%0.224CC..  trans-76.2122.6178177.70000109.2L18 I145 A156 C177 T180 V184L18-V182 HydrophobicContact CD1-CG1 3.79Å; L18-V182 HydrophobicContact CD1-CG2 4.37Å; I145-V182 HydrophobicContact CD1-CG2 4.22Å; I145-V182 HydrophobicContact CG2-CG2 3.79Å; A156-V182 HydrophobicContact CB-CG1 3.61Å; C177-V182 HydrophobicContact CB-CB 4.32Å; C177-V182 WeakPolarHBondContact CB-O 3.5Å; C177-V182 PolarHBondContact O-N 3.45Å; T180-V182 VanDerWaalsContact C-N 3.28Å; T180-V182 WeakPolarHBondContact OG1-CG2 3.33Å; V182-V184 PolarHBondContact O-N 3.27Å
183R95.8Very high93.2Very high151 Ų15139 Ų3957%0.5719%0.194SC*.  trans-66.1128.2174.2177.3-179.2175.1-168.9-1.4109.8G155 A156 G181 M185G155-R183 CarbonylContact C-O 3.58Å; G155-R183 WeakPolarHBondContact CA-O 3.27Å; A156-R183 PolarHBondContact N-O 3.36Å; G181-R183 PolarHBondContact O-N 3.31Å; R183-M185 PolarHBondContact O-N 3.48Å
184V96.7Very high93.1Very high25 Ų2542.1 Ų42.115%0.15221%0.208CC..EExtended strand (participates in β ladder)trans-84.6114.2171.2-1790000108.8V158 L174 C177 V182 V220V158-V184 HydrophobicContact CG2-CG1 4.23Å; L174-V184 HydrophobicContact CD2-CB 4.46Å; L174-V184 HydrophobicContact CD2-CG1 3.87Å; L174-V184 HydrophobicContact CD2-CG2 3.89Å; C177-V184 HydrophobicContact CB-CG2 3.59Å; V182-V184 PolarHBondContact O-N 3.27Å; V184-V220 HydrophobicContact CB-CB 4.44Å; V184-V220 HydrophobicContact CB-CG1 3.97Å; V184-V220 HydrophobicContact CG1-CB 3.99Å; V184-V220 HydrophobicContact CG1-CG1 4Å; V184-V220 HydrophobicContact CG1-CG2 4.24Å
185M96.6Very high92.9Very high19 Ų1942.1 Ų42.19%0.09421%0.208CC..EExtended strand (participates in β ladder)trans-73.9-34.2174.9-64.9179.869.100111.1I17 L154 A156 L157 R183 P221 I262I17-M185 HydrophobicContact CG1-SD 4.3Å; I17-M185 HydrophobicContact CG2-SD 4.28Å; L154-M185 HydrophobicContact CD2-CE 3.64Å; L154-M185 HydrophobicContact CD2-SD 4.07Å; L154-M185 HydrophobicContact CG-CE 4.08Å; L154-M185 HydrophobicContact CG-SD 4.01Å; A156-M185 PolarHBondContact O-N 2.6Å; L157-M185 HydrophobicContact CD2-CB 4.1Å; R183-M185 PolarHBondContact O-N 3.48Å; M185-P221 WeakPolarHBondContact O-CB 3.4Å; M185-P221 WeakPolarHBondContact O-CG 3.5Å; M185-I262 HydrophobicContact CE-CG1 4.4Å; M185-I262 HydrophobicContact CE-CG2 4Å
186G96.6Very high92.4Very high0 Ų041 Ų410%020%0.202CC..EExtended strand (participates in β ladder)trans162.8179169.200000113.3V158 P221V158-G186 PolarHBondContact N-O 3.08Å; G186-P221 CarbonylContact C-O 3.43Å; G186-P221 WeakPolarHBondContact CA-O 3.36Å
187V96.4Very high91.6Very high0 Ų043.6 Ų43.60%022%0.221CC..EExtended strand (participates in β ladder)trans-103.5136.3-179.9-179.60000109.9V158 T160 L174 A215 V220 P221 F222 L223V158-V187 HydrophobicContact CB-CG2 4.43Å; V158-V187 CarbonylContact O-C 3.33Å; V158-V187 WeakPolarHBondContact O-CA 3.47Å; T160-V187 HydrophobicContact CG2-CG1 3.93Å; L174-V187 HydrophobicContact CD2-CG2 4.5Å; V187-A215 HydrophobicContact CB-CB 4.04Å; V187-A215 HydrophobicContact CG2-CB 3.9Å; V187-V220 HydrophobicContact CG2-CG2 3.86Å; V187-P221 PolarHBondContact N-O 3.21Å; V187-F222 HydrophobicContact CB-CD2 4.31Å; V187-F222 WeakPolarHBondContact O-CD2 3.27Å; V187-L223 PolarHBondContact O-N 2.75Å
188V96.8Very high90.8Very high0 Ų052 Ų520%026%0.259CS..EExtended strand (participates in β ladder)trans-112.9123.7171176.90000108.5I31 V158 V159 T160 L223 V226 I258I31-V188 HydrophobicContact CD1-CG1 4.08Å; I31-V188 HydrophobicContact CG1-CG1 4.31Å; I31-V188 HydrophobicContact CG2-CG1 4.42Å; V158-V188 PolarHBondContact O-N 3.06Å; V159-V188 WeakPolarHBondContact CA-O 3.47Å; T160-V188 PolarHBondContact N-O 3.23Å; V188-L223 HydrophobicContact CG2-CB 4.04Å; V188-L223 HydrophobicContact CG2-CD1 4.17Å; V188-V226 HydrophobicContact CG1-CG2 4.16Å; V188-I258 HydrophobicContact CG1-CD1 3.84Å; V188-I258 HydrophobicContact CG2-CD1 4.24Å; V188-I258 HydrophobicContact CG2-CG2 4.07Å
189E94.4Very high90Very high0 Ų046 Ų460%025%0.246CC..EExtended strand (participates in β ladder)trans-95.398.9174.9-171.5-174.773.400109.8T160 P162 S192 G209 G210 G211 F222 G224 S225 V226T160-E189 HydrophobicContact CG2-CB 4.38Å; T160-E189 HydrophobicContact CG2-CG 4.42Å; P162-E189 WeakPolarHBondContact CA-OE2 3.45Å; P162-E189 HydrophobicContact CB-CG 4.42Å; P162-E189 HydrophobicContact CG-CG 3.8Å; E189-S192 VanDerWaalsContact OE1-CB 3.23Å; E189-S192 WeakPolarHBondContact OE1-CB 3.38Å; E189-S192 PolarHBondContact OE1-OG 2.81Å; E189-G209 PolarHBondContact OE1-N 2.97Å; E189-G209 PolarHBondContact OE2-N 2.9Å; E189-G210 PolarHBondContact OE2-N 3.16Å; E189-G211 PolarHBondContact OE2-N 3.27Å; E189-F222 HydrophobicContact CB-CE2 3.85Å; E189-F222 HydrophobicContact CB-CZ 3.93Å; E189-G224 PolarHBondContact N-O 2.94Å; E189-S225 CarbonylContact O-C 3.59Å; E189-S225 WeakPolarHBondContact O-CA 3.37Å; E189-S225 PolarHBondContact OE1-OG 2.82Å; E189-V226 PolarHBondContact O-N 3.08Å
190N94.2Very high88.7Confident8 Ų844.4 Ų44.44%0.04325%0.251CS..  trans-82160.7176.6-167.325.4000112V26 I31 V159 T160 T161 P162 S192 V226V26-N190 PolarHBondContact O-ND2 3.32Å; I31-N190 HydrophobicContact CD1-CB 4.41Å; I31-N190 HydrophobicContact CG1-CB 4.41Å; V159-N190 HydrophobicContact CG1-CB 4.11Å; T160-N190 PolarHBondContact O-N 3.47Å; T161-N190 WeakPolarHBondContact CA-O 3.37Å; P162-N190 VanDerWaalsContact CD-O 3.26Å; P162-N190 WeakPolarHBondContact CD-O 3.48Å; N190-S192 PolarHBondContact O-N 2.72Å; N190-V226 CarbonylContact C-O 3.56Å
191M91.3Very high87.7Confident53 Ų5350 Ų5026%0.26128%0.276SS..SBendtrans5733.1-179.3-48.6-178.3179.500113.3T161 G193 V226 L228T161-M191 HydrophobicContact CG2-CB 4.31Å; T161-M191 HydrophobicContact CG2-CG 4.28Å; T161-M191 HydrophobicContact CG2-SD 4.02Å; M191-G193 PolarHBondContact O-N 3.17Å; M191-V226 PolarHBondContact N-O 3.31Å; M191-L228 HydrophobicContact CB-CD2 3.76Å; M191-L228 HydrophobicContact CB-CG 3.93Å; M191-L228 HydrophobicContact CG-CD2 3.63Å; M191-L228 HydrophobicContact CG-CG 4.35Å; M191-L228 HydrophobicContact SD-CD2 4.23Å
192S89.1Confident86.8Confident8 Ų849.2 Ų49.26%0.05626%0.259CS..  trans-9689.3-177.1-167.50000111.1E189 N190 V226 P227E189-S192 VanDerWaalsContact OE1-CB 3.23Å; E189-S192 WeakPolarHBondContact OE1-CB 3.38Å; E189-S192 PolarHBondContact OE1-OG 2.81Å; N190-S192 PolarHBondContact O-N 2.72Å; S192-V226 PolarHBondContact N-O 2.79Å; S192-P227 WeakPolarHBondContact O-CA 3.45Å
193G88.1Confident86Confident1 Ų151.8 Ų51.81%0.0127%0.274CS..SBendtrans90.8-174.3-171.200000113M191 T203 L228M191-G193 PolarHBondContact O-N 3.17Å; G193-T203 CarbonylContact C-O 3.44Å; G193-T203 WeakPolarHBondContact CA-O 3.34Å; G193-L228 WeakPolarHBondContact O-CB 3.25Å; G193-L228 PolarHBondContact O-N 3.15Å
194F89.4Confident85.2Confident66 Ų6647.7 Ų47.729%0.28927%0.269SS..EExtended strand (participates in β ladder)trans-142.9124.9-177172.1-101.7000110.2C196 C202 T203 V205 L228 P230F194-C196 HydrophobicContact CE1-CB 4.35Å; F194-C202 WeakPolarHBondContact O-CA 3.37Å; F194-T203 PolarHBondContact N-O 2.91Å; F194-T203 PolarHBondContact O-N 3.05Å; F194-T203 VanDerWaalsContact O-N 3.09Å; F194-V205 HydrophobicContact CB-CG2 3.38Å; F194-V205 HydrophobicContact CG-CG2 4.17Å; F194-L228 CarbonylContact C-O 3.56Å; F194-L228 WeakPolarHBondContact CA-O 3.46Å; F194-L228 HydrophobicContact CB-CB 4.4Å; F194-L228 HydrophobicContact CD2-CB 3.95Å; F194-P230 HydrophobicContact CE2-CG 3.74Å; F194-P230 HydrophobicContact CZ-CG 4.01Å
195T85.9Confident84.1Confident11 Ų1150 Ų507%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-81.1112.6172.9-59.40000108.3P227 L228 P250 T251T195-P227 VanDerWaalsContact OG1-CG 3.3Å; T195-P227 WeakPolarHBondContact OG1-CG 3.21Å; T195-L228 PolarHBondContact N-O 3.18Å; T195-P250 HydrophobicContact CG2-CG 4.04Å; T195-T251 PolarHBondContact OG1-OG1 2.83Å
196C80.5Confident83Confident30 Ų3053.2 Ų53.220%0.20330%0.296CS..  trans-69.5131.8175.9-176.40000110.3F194 H198 C199F194-C196 HydrophobicContact CE1-CB 4.35Å; C196-H198 PolarHBondContact O-N 3.35Å; C196-H198 PolarHBondContact SG-N 3.3Å; C196-H198 VanDerWaalsContact SG-N 3.4Å; C196-C199 WeakPolarHBondContact CB-O 3.43Å; C196-C199 WeakPolarHBondContact CB-SG 3.4Å; C196-C199 PolarHBondContact SG-SG 2.9Å
197P76.3Confident82.1Confident71 Ų7156.3 Ų56.346%0.46132%0.318SS..SBendtrans-73.1-12.1175.928.6-33.9000113
198H77.4Confident81.2Confident176 Ų17661.7 Ų61.782%0.81534%0.339SS*.SBendtrans-109.5-12.5-176.3-58.4-61.6000113.9C196C196-H198 PolarHBondContact O-N 3.35Å; C196-H198 PolarHBondContact SG-N 3.3Å; C196-H198 VanDerWaalsContact SG-N 3.4Å
199C74.6Confident80.6Confident61 Ų6162.8 Ų62.841%0.41235%0.35SS..SBendtrans-148.4164176.773.10000111.1C196 E201C196-C199 WeakPolarHBondContact CB-O 3.43Å; C196-C199 WeakPolarHBondContact CB-SG 3.4Å; C196-C199 PolarHBondContact SG-SG 2.9Å; C199-E201 PolarHBondContact O-N 3.29Å
200T65.6Low80.1Confident142 Ų14263.6 Ų63.687%0.87136%0.359SS*.SBendtrans-849-179.955.10000113.6
201E70.5Confident79.8Confident139 Ų13963.3 Ų63.365%0.6536%0.357SS*.  trans-83.5132.6-177-163.4171.7-174.400110.8C199C199-E201 PolarHBondContact O-N 3.29Å
202C70.9Confident79.8Confident51 Ų5165.9 Ų65.935%0.34537%0.368SS..EExtended strand (participates in β ladder)trans-102.3102.4177.9-177.70000110.6F194 R208F194-C202 WeakPolarHBondContact O-CA 3.37Å; C202-R208 PolarHBondContact O-NH2 3.04Å; C202-R208 PolarHBondContact SG-NH2 3.44Å
203T79.9Confident79.8Confident75 Ų7569.5 Ų69.546%0.4639%0.385SS..EExtended strand (participates in β ladder)trans-85.4139.2-176.3-54.40000111.4G193 F194 V205 R208G193-T203 CarbonylContact C-O 3.44Å; G193-T203 WeakPolarHBondContact CA-O 3.34Å; F194-T203 PolarHBondContact N-O 2.91Å; F194-T203 PolarHBondContact O-N 3.05Å; F194-T203 VanDerWaalsContact O-N 3.09Å; T203-V205 PolarHBondContact O-N 3.24Å; T203-R208 PolarHBondContact O-NH2 3.44Å; T203-R208 VanDerWaalsContact O-NH2 3.13Å
204S79Confident79.7Confident65 Ų6570 Ų7046%0.45539%0.387SS..  trans-77.299.3173-62.60000110.3R208S204-R208 VanDerWaalsContact OG-CD 3.28Å; S204-R208 WeakPolarHBondContact OG-CD 3.3Å; S204-R208 PolarHBondContact OG-NE 2.61Å; S204-R208 PolarHBondContact OG-NH2 2.91Å
205V73.8Confident79.9Confident75 Ų7566.9 Ų66.946%0.45537%0.373SS..SBendtrans-74.3-32174.81790000111.6F194 T203F194-V205 HydrophobicContact CB-CG2 3.38Å; F194-V205 HydrophobicContact CG-CG2 4.17Å; T203-V205 PolarHBondContact O-N 3.24Å
206F73.5Confident80.2Confident85 Ų8573.9 Ų73.937%0.37340%0.399SS..SBendtrans-123.8-176.2174.7-59.3-66.1000110.5Q163 L228Q163-F206 HydrophobicContact CG-CB 4.46Å; Q163-F206 HydrophobicContact CG-CD1 4.43Å; Q163-F206 HydrophobicContact CG-CG 4.37Å; F206-L228 HydrophobicContact CE2-CD1 4.33Å
207S76.3Confident80.6Confident66 Ų6678 Ų7846%0.46242%0.418SS..  trans-51.3161.8163480000110.9P162P162-S207 WeakPolarHBondContact CB-O 3.45Å; P162-S207 WeakPolarHBondContact CG-O 3.2Å; P162-S207 PolarHBondContact O-OG 3.21Å
208R78.6Confident81.2Confident112 Ų11276 Ų7642%0.42341%0.408SS..  trans-131.5155.6175.1-72.5-167.5176.9164.97.7110.3C202 T203 S204 G210C202-R208 PolarHBondContact O-NH2 3.04Å; C202-R208 PolarHBondContact SG-NH2 3.44Å; T203-R208 PolarHBondContact O-NH2 3.44Å; T203-R208 VanDerWaalsContact O-NH2 3.13Å; S204-R208 VanDerWaalsContact OG-CD 3.28Å; S204-R208 WeakPolarHBondContact OG-CD 3.3Å; S204-R208 PolarHBondContact OG-NE 2.61Å; S204-R208 PolarHBondContact OG-NH2 2.91Å; R208-G210 VanDerWaalsContact C-N 3.31Å; R208-G210 PolarHBondContact O-N 3.22Å
209G82.4Confident82Confident23 Ų2371 Ų7124%0.23740%0.404CS..SBendtrans79.19.2171.400000114.9E189 E212 E213E189-G209 PolarHBondContact OE1-N 2.97Å; E189-G209 PolarHBondContact OE2-N 2.9Å; G209-E212 PolarHBondContact O-N 2.97Å; G209-E213 WeakPolarHBondContact O-CB 3.34Å; G209-E213 PolarHBondContact O-N 2.97Å
210G85.1Confident83Confident18 Ų1869.6 Ų69.619%0.18639%0.393CS..Hα-helixtrans-66.5-39.1176.400000112E189 R208 L214E189-G210 PolarHBondContact OE2-N 3.16Å; R208-G210 VanDerWaalsContact C-N 3.31Å; R208-G210 PolarHBondContact O-N 3.22Å; G210-L214 VanDerWaalsContact O-CB 3.31Å; G210-L214 WeakPolarHBondContact O-CB 2.84Å; G210-L214 PolarHBondContact O-N 2.96Å; G210-L214 VanDerWaalsContact O-N 3.17Å
211G88.3Confident84.5Confident1 Ų166.2 Ų66.21%0.0137%0.373CS..Hα-helixtrans-69.9-39.8174.700000112.9E189 L214 A215E189-G211 PolarHBondContact OE2-N 3.27Å; G211-L214 PolarHBondContact O-N 3.43Å; G211-A215 WeakPolarHBondContact O-CB 3.48Å; G211-A215 PolarHBondContact O-N 2.98Å
212E91.1Very high85.7Confident107 Ų10761.8 Ų61.850%0.535%0.352SS..Hα-helixtrans-65.6-48.4178.1-176.3171.3-161.500111.7G209 L214 A215 R216 F222G209-E212 PolarHBondContact O-N 2.97Å; E212-L214 VanDerWaalsContact C-N 3.28Å; E212-L214 PolarHBondContact O-N 3.41Å; E212-A215 WeakPolarHBondContact O-CB 3.42Å; E212-A215 PolarHBondContact O-N 3.02Å; E212-R216 PolarHBondContact O-N 3.31Å; E212-F222 HydrophobicContact CB-CD1 3.82Å; E212-F222 HydrophobicContact CB-CD2 4Å; E212-F222 HydrophobicContact CB-CE1 3.8Å; E212-F222 HydrophobicContact CB-CE2 4Å; E212-F222 HydrophobicContact CB-CG 3.92Å; E212-F222 HydrophobicContact CB-CZ 3.89Å; E212-F222 HydrophobicContact CG-CB 4.33Å; E212-F222 HydrophobicContact CG-CD1 3.67Å; E212-F222 HydrophobicContact CG-CD2 4.48Å; E212-F222 HydrophobicContact CG-CE1 4.06Å; E212-F222 HydrophobicContact CG-CG 3.91Å
213E88.9Confident87Confident85 Ų8560 Ų6040%0.39734%0.339SS..Hα-helixtrans-61.1-40177.2175.758.2-172.700111.3G209 R216 L217G209-E213 WeakPolarHBondContact O-CB 3.34Å; G209-E213 PolarHBondContact O-N 2.97Å; E213-R216 WeakPolarHBondContact O-CB 3.43Å; E213-R216 PolarHBondContact O-N 3.24Å; E213-R216 IonicContact OE1-CZ 3.95Å; E213-R216 IonicContact OE1-NE 3.54Å; E213-R216 IonicContact OE1-NH2 3.57Å; E213-R216 PolarHBondContact OE1-NH2 2.89Å; E213-R216 IonicContact OE2-CZ 3.51Å; E213-R216 IonicContact OE2-NE 3.49Å; E213-R216 PolarHBondContact OE2-NE 2.87Å; E213-R216 IonicContact OE2-NH2 3.28Å; E213-R216 PolarHBondContact OE2-NH2 3.27Å; E213-L217 HydrophobicContact CG-CD1 4.16Å; E213-L217 VanDerWaalsContact O-CG 3.3Å; E213-L217 WeakPolarHBondContact O-CG 3.32Å; E213-L217 PolarHBondContact O-N 3.23Å
214L86.8Confident87.7Confident12 Ų1257 Ų576%0.06332%0.324CS..Hα-helixtrans-68-39.9177.5-177.260.9000112.7V167 V170 R171 L174 G210 G211 E212 R216 L217 A218V167-L214 HydrophobicContact CG1-CD1 4.22Å; V167-L214 HydrophobicContact CG1-CD2 4.21Å; V170-L214 HydrophobicContact CB-CD2 3.27Å; V170-L214 HydrophobicContact CG1-CD2 3.21Å; V170-L214 HydrophobicContact CG1-CG 4.17Å; V170-L214 HydrophobicContact CG2-CD2 4.24Å; R171-L214 HydrophobicContact CB-CD1 4.47Å; L174-L214 HydrophobicContact CD1-CG 4.28Å; G210-L214 VanDerWaalsContact O-CB 3.31Å; G210-L214 WeakPolarHBondContact O-CB 2.84Å; G210-L214 PolarHBondContact O-N 2.96Å; G210-L214 VanDerWaalsContact O-N 3.17Å; G211-L214 PolarHBondContact O-N 3.43Å; E212-L214 VanDerWaalsContact C-N 3.28Å; E212-L214 PolarHBondContact O-N 3.41Å; L214-R216 VanDerWaalsContact C-N 3.28Å; L214-R216 PolarHBondContact O-N 3.13Å; L214-L217 PolarHBondContact O-N 2.94Å; L214-A218 VanDerWaalsContact O-CB 3.29Å; L214-A218 WeakPolarHBondContact O-CB 3.3Å; L214-A218 PolarHBondContact O-N 3Å
215A91.8Very high88.5Confident0 Ų056 Ų560%032%0.317CS..Hα-helixtrans-58.7-44.8174.100000110.5V187 G211 E212 A218 G219 V220 F222V187-A215 HydrophobicContact CB-CB 4.04Å; V187-A215 HydrophobicContact CG2-CB 3.9Å; G211-A215 WeakPolarHBondContact O-CB 3.48Å; G211-A215 PolarHBondContact O-N 2.98Å; E212-A215 WeakPolarHBondContact O-CB 3.42Å; E212-A215 PolarHBondContact O-N 3.02Å; A215-A218 PolarHBondContact O-N 3.37Å; A215-G219 PolarHBondContact O-N 2.97Å; A215-V220 CarbonylContact C-O 3.59Å; A215-V220 HydrophobicContact CB-CG2 4.06Å; A215-V220 PolarHBondContact O-N 2.61Å; A215-F222 HydrophobicContact CB-CB 3.99Å; A215-F222 HydrophobicContact CB-CD2 4.3Å
216R92.4Very high89.5Confident158 Ų15852.5 Ų52.560%0.59630%0.295SS*.Hα-helixtrans-59.1-49.6175-169.2-170.471.579.70.2112.1E212 E213 L214 A218 G219E212-R216 PolarHBondContact O-N 3.31Å; E213-R216 WeakPolarHBondContact O-CB 3.43Å; E213-R216 PolarHBondContact O-N 3.24Å; E213-R216 IonicContact OE1-CZ 3.95Å; E213-R216 IonicContact OE1-NE 3.54Å; E213-R216 IonicContact OE1-NH2 3.57Å; E213-R216 PolarHBondContact OE1-NH2 2.89Å; E213-R216 IonicContact OE2-CZ 3.51Å; E213-R216 IonicContact OE2-NE 3.49Å; E213-R216 PolarHBondContact OE2-NE 2.87Å; E213-R216 IonicContact OE2-NH2 3.28Å; E213-R216 PolarHBondContact OE2-NH2 3.27Å; L214-R216 VanDerWaalsContact C-N 3.28Å; L214-R216 PolarHBondContact O-N 3.13Å; R216-A218 VanDerWaalsContact C-N 3.29Å; R216-A218 PolarHBondContact O-N 3.34Å; R216-G219 PolarHBondContact O-N 3.37Å
217L89.5Confident90.5Very high115 Ų11549 Ų4960%0.60228%0.281SS*.Hα-helixtrans-64.3-32.8179.2-71.5173.2000112.9E213 L214 G219E213-L217 HydrophobicContact CG-CD1 4.16Å; E213-L217 VanDerWaalsContact O-CG 3.3Å; E213-L217 WeakPolarHBondContact O-CG 3.32Å; E213-L217 PolarHBondContact O-N 3.23Å; L214-L217 PolarHBondContact O-N 2.94Å; L217-G219 VanDerWaalsContact C-N 3.34Å
218A89.9Confident91.3Very high30 Ų3048.4 Ų48.425%0.24827%0.273CS..Hα-helixtrans-84.6-8.217800000113.7L174 L214 A215 R216 V220L174-A218 HydrophobicContact CD1-CB 3.57Å; L214-A218 VanDerWaalsContact O-CB 3.29Å; L214-A218 WeakPolarHBondContact O-CB 3.3Å; L214-A218 PolarHBondContact O-N 3Å; A215-A218 PolarHBondContact O-N 3.37Å; R216-A218 VanDerWaalsContact C-N 3.29Å; R216-A218 PolarHBondContact O-N 3.34Å; A218-V220 VanDerWaalsContact C-N 3.35Å; A218-V220 HydrophobicContact CB-CG2 4.14Å
219G94Very high92Very high71 Ų7143.8 Ų43.873%0.73226%0.256SS*.THydrogen-bonded Turntrans68.731.2-177.400000113.4A215 R216 L217A215-G219 PolarHBondContact O-N 2.97Å; R216-G219 PolarHBondContact O-N 3.37Å; L217-G219 VanDerWaalsContact C-N 3.34Å
220V95.1Very high92.5Very high32 Ų3245.1 Ų45.119%0.19426%0.26CS..  trans-116.6155.5178.9-59.90000111L174 V184 V187 A215 A218L174-V220 HydrophobicContact CD2-CG2 4.17Å; V184-V220 HydrophobicContact CB-CB 4.44Å; V184-V220 HydrophobicContact CB-CG1 3.97Å; V184-V220 HydrophobicContact CG1-CB 3.99Å; V184-V220 HydrophobicContact CG1-CG1 4Å; V184-V220 HydrophobicContact CG1-CG2 4.24Å; V187-V220 HydrophobicContact CG2-CG2 3.86Å; A215-V220 CarbonylContact C-O 3.59Å; A215-V220 HydrophobicContact CB-CG2 4.06Å; A215-V220 PolarHBondContact O-N 2.61Å; A218-V220 VanDerWaalsContact C-N 3.35Å; A218-V220 HydrophobicContact CB-CG2 4.14Å
221P96.5Very high93Very high70 Ų7046.5 Ų46.546%0.45526%0.262SS..  trans-63.5143.7-179.6-23.635.5000113M185 G186 V187M185-P221 WeakPolarHBondContact O-CB 3.4Å; M185-P221 WeakPolarHBondContact O-CG 3.5Å; G186-P221 CarbonylContact C-O 3.43Å; G186-P221 WeakPolarHBondContact CA-O 3.36Å; V187-P221 PolarHBondContact N-O 3.21Å
222F96.2Very high93.4Very high47 Ų4746.9 Ų46.921%0.20626%0.264CS..EExtended strand (participates in β ladder)trans-97.7118.5165-174.6-115.9000109.5V187 E189 E212 A215 G224 S225V187-F222 HydrophobicContact CB-CD2 4.31Å; V187-F222 WeakPolarHBondContact O-CD2 3.27Å; E189-F222 HydrophobicContact CB-CE2 3.85Å; E189-F222 HydrophobicContact CB-CZ 3.93Å; E212-F222 HydrophobicContact CB-CD1 3.82Å; E212-F222 HydrophobicContact CB-CD2 4Å; E212-F222 HydrophobicContact CB-CE1 3.8Å; E212-F222 HydrophobicContact CB-CE2 4Å; E212-F222 HydrophobicContact CB-CG 3.92Å; E212-F222 HydrophobicContact CB-CZ 3.89Å; E212-F222 HydrophobicContact CG-CB 4.33Å; E212-F222 HydrophobicContact CG-CD1 3.67Å; E212-F222 HydrophobicContact CG-CD2 4.48Å; E212-F222 HydrophobicContact CG-CE1 4.06Å; E212-F222 HydrophobicContact CG-CG 3.91Å; A215-F222 HydrophobicContact CB-CB 3.99Å; A215-F222 HydrophobicContact CB-CD2 4.3Å; F222-G224 VanDerWaalsContact CZ-C 3.41Å; F222-G224 WeakPolarHBondContact CZ-O 3.05Å; F222-S225 WeakPolarHBondContact CZ-OG 3.38Å
223L97.2Very high93.5Very high12 Ų1247.5 Ų47.56%0.06327%0.268CS..EExtended strand (participates in β ladder)trans-87.4-28.1-174-63.4175.6000112L157 V187 V188 I258 K261L157-L223 HydrophobicContact CD2-CD1 3.15Å; V187-L223 PolarHBondContact O-N 2.75Å; V188-L223 HydrophobicContact CG2-CB 4.04Å; V188-L223 HydrophobicContact CG2-CD1 4.17Å; L223-I258 HydrophobicContact CB-CG1 4.32Å; L223-I258 HydrophobicContact CB-CG2 4.31Å; L223-K261 HydrophobicContact CD2-CB 4.13Å; L223-K261 HydrophobicContact CD2-CD 4.23Å; L223-K261 WeakPolarHBondContact O-CD 2.83Å; L223-K261 PolarHBondContact O-NZ 3.27Å
224G95.8Very high93.8Very high14 Ų1448.7 Ų48.714%0.14427%0.269CS..EExtended strand (participates in β ladder)trans147.1180173.600000112.8E189 F222E189-G224 PolarHBondContact N-O 2.94Å; F222-G224 VanDerWaalsContact CZ-C 3.41Å; F222-G224 WeakPolarHBondContact CZ-O 3.05Å
225S95.3Very high94.3Very high44 Ų4448.2 Ų48.231%0.30827%0.267SS..EExtended strand (participates in β ladder)trans-112.7134.9179.1-65.90000110E189 F222 A254E189-S225 CarbonylContact O-C 3.59Å; E189-S225 WeakPolarHBondContact O-CA 3.37Å; E189-S225 PolarHBondContact OE1-OG 2.82Å; F222-S225 WeakPolarHBondContact CZ-OG 3.38Å; S225-A254 WeakPolarHBondContact O-CB 3.41Å
226V95.5Very high94.5Very high0 Ų048.9 Ų48.90%027%0.27CS..  trans-109.6121.7174.3-176.80000108I31 V188 E189 N190 M191 S192 T251 A254 L255 I258I31-V226 HydrophobicContact CD1-CB 4.34Å; I31-V226 HydrophobicContact CD1-CG2 3.9Å; V188-V226 HydrophobicContact CG1-CG2 4.16Å; E189-V226 PolarHBondContact O-N 3.08Å; N190-V226 CarbonylContact C-O 3.56Å; M191-V226 PolarHBondContact N-O 3.31Å; S192-V226 PolarHBondContact N-O 2.79Å; V226-T251 HydrophobicContact CG1-CG2 3.91Å; V226-A254 HydrophobicContact CG2-CB 4.49Å; V226-L255 HydrophobicContact CG1-CD2 4.12Å; V226-L255 HydrophobicContact CG1-CG 4.4Å; V226-L255 HydrophobicContact CG2-CD2 3.92Å; V226-I258 HydrophobicContact CG2-CD1 3.62Å
227P93.7Very high94.6Very high12 Ų1246.5 Ų46.58%0.07827%0.266CS..  trans-75.1163.6179.133-36.1000111.6S192 T195 D229 T251S192-P227 WeakPolarHBondContact O-CA 3.45Å; T195-P227 VanDerWaalsContact OG1-CG 3.3Å; T195-P227 WeakPolarHBondContact OG1-CG 3.21Å; P227-D229 PolarHBondContact O-N 2.68Å; P227-T251 HydrophobicContact CG-CG2 4.44Å; P227-T251 WeakPolarHBondContact CG-OG1 3.29Å
228L92.8Very high94.8Very high54 Ų5446 Ų4628%0.28326%0.261SS..BIsolated β-bridgetrans-66.8127.2162.7-70168.4000109.1M191 G193 F194 T195 F206M191-L228 HydrophobicContact CB-CD2 3.76Å; M191-L228 HydrophobicContact CB-CG 3.93Å; M191-L228 HydrophobicContact CG-CD2 3.63Å; M191-L228 HydrophobicContact CG-CG 4.35Å; M191-L228 HydrophobicContact SD-CD2 4.23Å; G193-L228 WeakPolarHBondContact O-CB 3.25Å; G193-L228 PolarHBondContact O-N 3.15Å; F194-L228 CarbonylContact C-O 3.56Å; F194-L228 WeakPolarHBondContact CA-O 3.46Å; F194-L228 HydrophobicContact CB-CB 4.4Å; F194-L228 HydrophobicContact CD2-CB 3.95Å; T195-L228 PolarHBondContact N-O 3.18Å; F206-L228 HydrophobicContact CE2-CD1 4.33Å
229D93.9Very high95.1Very high14 Ų1445.6 Ų45.68%0.07526%0.259CS..  trans-134.9116.2-179.7-171.4-23.1000109.4P227 E231 L232 M233 S249 T251P227-D229 PolarHBondContact O-N 2.68Å; D229-E231 PolarHBondContact O-N 3.47Å; D229-E231 WeakPolarHBondContact OD1-CB 3.22Å; D229-E231 PolarHBondContact OD1-N 3.38Å; D229-L232 HydrophobicContact CB-CB 3.89Å; D229-L232 PolarHBondContact O-N 3.13Å; D229-M233 PolarHBondContact O-N 3.07Å; D229-S249 PolarHBondContact OD2-OG 3.46Å; D229-T251 HydrophobicContact CB-CG2 4.02Å; D229-T251 WeakPolarHBondContact CB-OG1 3.3Å; D229-T251 VanDerWaalsContact CG-OG1 3.31Å; D229-T251 WeakPolarHBondContact OD2-CB 3.47Å; D229-T251 PolarHBondContact OD2-OG1 3.3Å
230P93.1Very high95.2Very high51 Ų5145.9 Ų45.933%0.33124%0.241SC..Hα-helixtrans-56.8-34177-25.334.9000113.2F194 M233 R234F194-P230 HydrophobicContact CE2-CG 3.74Å; F194-P230 HydrophobicContact CZ-CG 4.01Å; P230-M233 PolarHBondContact O-N 3.16Å; P230-R234 WeakPolarHBondContact O-CB 3.33Å; P230-R234 PolarHBondContact O-N 2.84Å
231E94.9Very high95.3Very high48 Ų4845.5 Ų45.522%0.22424%0.238CC..Hα-helixtrans-71-40.9-179.6-63.7-63.5170.300111D229 M233 R234 S235 F242 F246D229-E231 PolarHBondContact O-N 3.47Å; D229-E231 WeakPolarHBondContact OD1-CB 3.22Å; D229-E231 PolarHBondContact OD1-N 3.38Å; E231-M233 VanDerWaalsContact C-N 3.34Å; E231-M233 PolarHBondContact O-N 3.38Å; E231-R234 PolarHBondContact O-N 2.82Å; E231-R234 IonicContact OE1-NH2 3.69Å; E231-R234 IonicContact OE2-CZ 3.08Å; E231-R234 IonicContact OE2-NE 3.72Å; E231-R234 PolarHBondContact OE2-NE 3.24Å; E231-R234 IonicContact OE2-NH1 2.76Å; E231-R234 IonicContact OE2-NH2 2.79Å; E231-R234 PolarHBondContact OE2-NH2 2.89Å; E231-S235 WeakPolarHBondContact O-CB 3.39Å; E231-S235 PolarHBondContact O-N 2.89Å; E231-S235 PolarHBondContact O-OG 3.32Å; E231-F242 HydrophobicContact CB-CE2 4.01Å; E231-F246 HydrophobicContact CB-CD1 4.04Å; E231-F246 HydrophobicContact CB-CD2 4.3Å; E231-F246 HydrophobicContact CB-CE1 3.9Å; E231-F246 HydrophobicContact CB-CE2 4.19Å; E231-F246 HydrophobicContact CB-CG 4.24Å; E231-F246 HydrophobicContact CB-CZ 3.99Å; E231-F246 HydrophobicContact CG-CD1 4.11Å; E231-F246 HydrophobicContact CG-CE1 3.78Å; E231-F246 HydrophobicContact CG-CZ 4.21Å; E231-F246 WeakPolarHBondContact OE2-CE1 3.44Å; E231-F246 WeakPolarHBondContact OE2-CZ 3.42Å
232L96.2Very high95.3Very high9 Ų942.1 Ų42.15%0.04722%0.216CC..Hα-helixtrans-60.3-45.4172.4175.660.9000111.2T30 E34 D229 R234 S235 L236 F242 T251 L255T30-L232 HydrophobicContact CG2-CD2 4.14Å; E34-L232 VanDerWaalsContact CD-CD1 3.48Å; E34-L232 HydrophobicContact CG-CD1 3.8Å; E34-L232 WeakPolarHBondContact OE1-CD1 3.4Å; D229-L232 HydrophobicContact CB-CB 3.89Å; D229-L232 PolarHBondContact O-N 3.13Å; L232-R234 PolarHBondContact O-N 3.42Å; L232-S235 PolarHBondContact O-N 3.29Å; L232-L236 HydrophobicContact CD1-CD1 3.9Å; L232-L236 HydrophobicContact CD1-CG 4.12Å; L232-L236 HydrophobicContact CG-CD1 3.96Å; L232-L236 VanDerWaalsContact O-CG 3.27Å; L232-L236 WeakPolarHBondContact O-CG 3.32Å; L232-L236 PolarHBondContact O-N 2.66Å; L232-F242 VanDerWaalsContact CA-CD2 3.41Å; L232-F242 HydrophobicContact CB-CD2 3.89Å; L232-F242 HydrophobicContact CB-CE2 3.84Å; L232-F242 HydrophobicContact CB-CG 4.27Å; L232-F242 HydrophobicContact CB-CZ 4.19Å; L232-F242 HydrophobicContact CD1-CB 3.82Å; L232-F242 HydrophobicContact CD1-CD1 3.82Å; L232-F242 HydrophobicContact CD1-CD2 4.09Å; L232-F242 HydrophobicContact CD1-CE1 4.45Å; L232-F242 HydrophobicContact CD1-CG 3.62Å; L232-T251 HydrophobicContact CD2-CG2 3.84Å; L232-L255 HydrophobicContact CD2-CD1 4.5Å
233M94.4Very high95.3Very high119 Ų11940.3 Ų40.359%0.58621%0.208SC*.Hα-helixtrans-60.6-46.6179-171.9172-165.800111.4D229 P230 E231 L236 E237D229-M233 PolarHBondContact O-N 3.07Å; P230-M233 PolarHBondContact O-N 3.16Å; E231-M233 VanDerWaalsContact C-N 3.34Å; E231-M233 PolarHBondContact O-N 3.38Å; M233-L236 PolarHBondContact O-N 3.37Å; M233-E237 WeakPolarHBondContact O-CG 3.49Å; M233-E237 PolarHBondContact O-N 3.09Å
234R95.6Very high95.3Very high111 Ų11148.7 Ų48.742%0.41924%0.239SC..Hα-helixtrans-61.9-46.3177.4-174.9178.166.2-176.64.9111.6P230 E231 L232 L236 E237 E238P230-R234 WeakPolarHBondContact O-CB 3.33Å; P230-R234 PolarHBondContact O-N 2.84Å; E231-R234 PolarHBondContact O-N 2.82Å; E231-R234 IonicContact OE1-NH2 3.69Å; E231-R234 IonicContact OE2-CZ 3.08Å; E231-R234 IonicContact OE2-NE 3.72Å; E231-R234 PolarHBondContact OE2-NE 3.24Å; E231-R234 IonicContact OE2-NH1 2.76Å; E231-R234 IonicContact OE2-NH2 2.79Å; E231-R234 PolarHBondContact OE2-NH2 2.89Å; L232-R234 PolarHBondContact O-N 3.42Å; R234-L236 VanDerWaalsContact C-N 3.3Å; R234-L236 PolarHBondContact O-N 3.49Å; R234-E237 PolarHBondContact O-N 3.4Å; R234-E237 VanDerWaalsContact O-N 3.12Å; R234-E238 HydrophobicContact CG-CG 4.27Å; R234-E238 WeakPolarHBondContact CG-OE1 3.2Å; R234-E238 WeakPolarHBondContact O-CB 3.21Å; R234-E238 WeakPolarHBondContact O-CG 3.39Å; R234-E238 PolarHBondContact O-N 2.89Å
235S97.1Very high95.3Very high1 Ų152.2 Ų52.21%0.00725%0.252CS..Hα-helixtrans-57.2-43.9177.5-67.70000111.7E231 L232 E237 E238 G239 H240 F246E231-S235 WeakPolarHBondContact O-CB 3.39Å; E231-S235 PolarHBondContact O-N 2.89Å; E231-S235 PolarHBondContact O-OG 3.32Å; L232-S235 PolarHBondContact O-N 3.29Å; S235-E237 PolarHBondContact O-N 2.81Å; S235-E238 PolarHBondContact O-N 2.93Å; S235-G239 CarbonylContact O-C 3.52Å; S235-G239 PolarHBondContact O-N 3.29Å; S235-H240 PolarHBondContact O-N 3.4Å; S235-F246 WeakPolarHBondContact OG-CE2 3.18Å
236L95.9Very high95.3Very high15 Ų1552.3 Ų52.38%0.07925%0.247CC..Hα-helixtrans-68.4-32.5177.4-67167.2000113.2T30 T33 M61 L232 M233 R234T30-L236 HydrophobicContact CG2-CD1 3.52Å; T33-L236 HydrophobicContact CG2-CD2 3.86Å; M61-L236 WeakPolarHBondContact CA-O 3.33Å; M61-L236 HydrophobicContact CB-CD2 3.88Å; M61-L236 HydrophobicContact CG-CB 4.25Å; M61-L236 HydrophobicContact CG-CD2 3.93Å; M61-L236 HydrophobicContact SD-CD2 4.11Å; L232-L236 HydrophobicContact CD1-CD1 3.9Å; L232-L236 HydrophobicContact CD1-CG 4.12Å; L232-L236 HydrophobicContact CG-CD1 3.96Å; L232-L236 VanDerWaalsContact O-CG 3.27Å; L232-L236 WeakPolarHBondContact O-CG 3.32Å; L232-L236 PolarHBondContact O-N 2.66Å; M233-L236 PolarHBondContact O-N 3.37Å; R234-L236 VanDerWaalsContact C-N 3.3Å; R234-L236 PolarHBondContact O-N 3.49Å
237E93.5Very high95.3Very high107 Ų10756.1 Ų56.150%0.527%0.272SS..Hα-helixtrans-72.4-34.5176.5-75.6-173.8166.300112.8M233 R234 S235M233-E237 WeakPolarHBondContact O-CG 3.49Å; M233-E237 PolarHBondContact O-N 3.09Å; R234-E237 PolarHBondContact O-N 3.4Å; R234-E237 VanDerWaalsContact O-N 3.12Å; S235-E237 PolarHBondContact O-N 2.81Å
238E95Very high95.1Very high106 Ų10659.2 Ų59.250%0.49531%0.305SS..Hα-helixtrans-90.5-10-179.1-65.1177.3178.600113.1R234 S235 H240R234-E238 HydrophobicContact CG-CG 4.27Å; R234-E238 WeakPolarHBondContact CG-OE1 3.2Å; R234-E238 WeakPolarHBondContact O-CB 3.21Å; R234-E238 WeakPolarHBondContact O-CG 3.39Å; R234-E238 PolarHBondContact O-N 2.89Å; S235-E238 PolarHBondContact O-N 2.93Å; E238-H240 PolarHBondContact O-CD2 3.46Å; E238-H240 IonicContact OE2-CE1 3.26Å; E238-H240 PolarHBondContact OE2-CE1 3.35Å; E238-H240 VanDerWaalsContact OE2-CE1 3.28Å; E238-H240 IonicContact OE2-ND1 3.92Å
239G95.2Very high95Very high20 Ų2057.5 Ų57.521%0.20630%0.298CS..THydrogen-bonded Turntrans79.125.7-179.400000114.2M61 G63 S235M61-G239 WeakPolarHBondContact O-CA 3.23Å; G63-G239 VanDerWaalsContact N-CA 3.35Å; S235-G239 CarbonylContact O-C 3.52Å; S235-G239 PolarHBondContact O-N 3.29Å
240H96.2Very high94.9Very high77 Ų7759.8 Ų59.836%0.35631%0.314SS..  trans-93.4156-176.7-68.4-175.2000112.9S235 E238 F242 E245S235-H240 PolarHBondContact O-N 3.4Å; E238-H240 PolarHBondContact O-CD2 3.46Å; E238-H240 IonicContact OE2-CE1 3.26Å; E238-H240 PolarHBondContact OE2-CE1 3.35Å; E238-H240 VanDerWaalsContact OE2-CE1 3.28Å; E238-H240 IonicContact OE2-ND1 3.92Å; H240-F242 PolarHBondContact O-N 3.16Å; H240-E245 WeakPolarHBondContact CB-OE1 3.11Å; H240-E245 IonicContact CG-OE1 2.81Å; H240-E245 IonicContact CG-OE2 3.18Å; H240-E245 IonicContact ND1-OE1 3.38Å; H240-E245 PolarHBondContact ND1-OE1 2.96Å; H240-E245 IonicContact ND1-OE2 2.91Å
241D96.9Very high94.9Very high24 Ų2457.4 Ų57.413%0.12830%0.298CS..  trans-85.692.4-180-176.1-20.3000110.3R40 H41 I243 R244 E245R40-D241 IonicContact NH1-OD2 3.8Å; R40-D241 PolarHBondContact NH1-OD2 3.23Å; H41-D241 IonicContact CD2-OD1 2.91Å; H41-D241 IonicContact CD2-OD2 2.79Å; H41-D241 IonicContact CE1-OD1 3.38Å; H41-D241 IonicContact CE1-OD2 3.1Å; H41-D241 PolarHBondContact CE1-OD2 3.5Å; H41-D241 VanDerWaalsContact CE1-OD2 3.26Å; H41-D241 IonicContact NE2-OD1 2.81Å; H41-D241 PolarHBondContact NE2-OD1 3.43Å; H41-D241 IonicContact NE2-OD2 3.36Å; H41-D241 PolarHBondContact NE2-OD2 3.21Å; D241-I243 VanDerWaalsContact C-N 3.32Å; D241-I243 PolarHBondContact O-N 3.36Å; D241-I243 PolarHBondContact OD1-N 2.79Å; D241-R244 HydrophobicContact CB-CB 4Å; D241-R244 WeakPolarHBondContact O-CB 3.38Å; D241-R244 PolarHBondContact O-N 2.89Å; D241-R244 VanDerWaalsContact O-N 3.14Å; D241-R244 PolarHBondContact OD1-N 2.76Å; D241-R244 VanDerWaalsContact OD1-N 3.1Å; D241-E245 WeakPolarHBondContact O-CG 3.49Å; D241-E245 PolarHBondContact O-N 3.19Å
242F97.3Very high94.9Very high0 Ų057.6 Ų57.60%030%0.298CS..Hα-helixtrans-56.9-43.4-177.7175.6-98.3000112.7E231 L232 H240 R244 E245 F246 T251 F252 L255E231-F242 HydrophobicContact CB-CE2 4.01Å; L232-F242 VanDerWaalsContact CA-CD2 3.41Å; L232-F242 HydrophobicContact CB-CD2 3.89Å; L232-F242 HydrophobicContact CB-CE2 3.84Å; L232-F242 HydrophobicContact CB-CG 4.27Å; L232-F242 HydrophobicContact CB-CZ 4.19Å; L232-F242 HydrophobicContact CD1-CB 3.82Å; L232-F242 HydrophobicContact CD1-CD1 3.82Å; L232-F242 HydrophobicContact CD1-CD2 4.09Å; L232-F242 HydrophobicContact CD1-CE1 4.45Å; L232-F242 HydrophobicContact CD1-CG 3.62Å; H240-F242 PolarHBondContact O-N 3.16Å; F242-R244 PolarHBondContact O-N 3.4Å; F242-E245 PolarHBondContact O-N 3Å; F242-F246 HydrophobicContact CD2-CB 4.05Å; F242-F246 AromaticContact CD2-CD2 3.48Å; F242-F246 HydrophobicContact CD2-CD2 3.48Å; F242-F246 VanDerWaalsContact CD2-CD2 3.48Å; F242-F246 HydrophobicContact CD2-CE2 4.31Å; F242-F246 HydrophobicContact CD2-CG 4.05Å; F242-F246 HydrophobicContact CE2-CB 3.61Å; F242-F246 AromaticContact CE2-CD2 3.73Å; F242-F246 HydrophobicContact CE2-CD2 3.73Å; F242-F246 AromaticContact CE2-CG 3.82Å; F242-F246 HydrophobicContact CE2-CG 3.82Å; F242-F246 HydrophobicContact CG-CD2 4.4Å; F242-F246 HydrophobicContact CZ-CB 3.93Å; F242-F246 PolarHBondContact O-N 2.97Å; F242-T251 HydrophobicContact CE1-CG2 4.05Å; F242-T251 HydrophobicContact CZ-CG2 4.15Å; F242-F252 HydrophobicContact CE1-CB 4.26Å; F242-L255 HydrophobicContact CD1-CD1 4.03Å; F242-L255 HydrophobicContact CE1-CD1 4.06Å
243I96.5Very high94.9Very high8 Ų859.7 Ų59.74%0.04132%0.317CS..Hα-helixtrans-59-35.7-179.5-60.3-62.5000111.1E34 L37 H41 D241 F252 L255 T256E34-I243 WeakPolarHBondContact OE2-CG1 3.48Å; L37-I243 HydrophobicContact CB-CG1 4.25Å; H41-I243 HydrophobicContact CB-CG2 4.35Å; H41-I243 WeakPolarHBondContact CD2-CG2 3.44Å; D241-I243 VanDerWaalsContact C-N 3.32Å; D241-I243 PolarHBondContact O-N 3.36Å; D241-I243 PolarHBondContact OD1-N 2.79Å; I243-F252 HydrophobicContact CB-CD2 4.48Å; I243-F252 HydrophobicContact CD1-CD2 4.21Å; I243-F252 HydrophobicContact CG2-CD2 3.97Å; I243-F252 HydrophobicContact CG2-CE2 3.68Å; I243-F252 WeakPolarHBondContact O-CD2 3.38Å; I243-F252 WeakPolarHBondContact O-CE2 3.34Å; I243-L255 HydrophobicContact CD1-CB 3.94Å; I243-L255 HydrophobicContact CD1-CD1 3.96Å; I243-T256 HydrophobicContact CD1-CG2 4.44Å; I243-T256 HydrophobicContact CG2-CG2 4.48Å
244R96.6Very high95Very high188 Ų18855 Ų5571%0.70930%0.297SS*.Hα-helixtrans-77.4-42.2176.1-176.8-179.2176.1-176.9-0.8113.1D241 F242D241-R244 HydrophobicContact CB-CB 4Å; D241-R244 WeakPolarHBondContact O-CB 3.38Å; D241-R244 PolarHBondContact O-N 2.89Å; D241-R244 VanDerWaalsContact O-N 3.14Å; D241-R244 PolarHBondContact OD1-N 2.76Å; D241-R244 VanDerWaalsContact OD1-N 3.1Å; F242-R244 PolarHBondContact O-N 3.4Å
245E96.5Very high95.1Very high89 Ų8950.1 Ų50.142%0.41628%0.279SS..Hα-helixtrans-79.6-32.9-170.9-72.1179.6-171.400113.3H240 D241 F242 P247H240-E245 WeakPolarHBondContact CB-OE1 3.11Å; H240-E245 IonicContact CG-OE1 2.81Å; H240-E245 IonicContact CG-OE2 3.18Å; H240-E245 IonicContact ND1-OE1 3.38Å; H240-E245 PolarHBondContact ND1-OE1 2.96Å; H240-E245 IonicContact ND1-OE2 2.91Å; D241-E245 WeakPolarHBondContact O-CG 3.49Å; D241-E245 PolarHBondContact O-N 3.19Å; F242-E245 PolarHBondContact O-N 3Å; E245-P247 WeakPolarHBondContact O-CD 3.22Å
246F94.8Very high95.1Very high46 Ų4651.6 Ų51.620%0.20229%0.288CS..  trans-124.454.4-172.1-59.5-84.2000114E231 S235 F242 G248 S249 F252E231-F246 HydrophobicContact CB-CD1 4.04Å; E231-F246 HydrophobicContact CB-CD2 4.3Å; E231-F246 HydrophobicContact CB-CE1 3.9Å; E231-F246 HydrophobicContact CB-CE2 4.19Å; E231-F246 HydrophobicContact CB-CG 4.24Å; E231-F246 HydrophobicContact CB-CZ 3.99Å; E231-F246 HydrophobicContact CG-CD1 4.11Å; E231-F246 HydrophobicContact CG-CE1 3.78Å; E231-F246 HydrophobicContact CG-CZ 4.21Å; E231-F246 WeakPolarHBondContact OE2-CE1 3.44Å; E231-F246 WeakPolarHBondContact OE2-CZ 3.42Å; S235-F246 WeakPolarHBondContact OG-CE2 3.18Å; F242-F246 HydrophobicContact CD2-CB 4.05Å; F242-F246 AromaticContact CD2-CD2 3.48Å; F242-F246 HydrophobicContact CD2-CD2 3.48Å; F242-F246 VanDerWaalsContact CD2-CD2 3.48Å; F242-F246 HydrophobicContact CD2-CE2 4.31Å; F242-F246 HydrophobicContact CD2-CG 4.05Å; F242-F246 HydrophobicContact CE2-CB 3.61Å; F242-F246 AromaticContact CE2-CD2 3.73Å; F242-F246 HydrophobicContact CE2-CD2 3.73Å; F242-F246 AromaticContact CE2-CG 3.82Å; F242-F246 HydrophobicContact CE2-CG 3.82Å; F242-F246 HydrophobicContact CG-CD2 4.4Å; F242-F246 HydrophobicContact CZ-CB 3.93Å; F242-F246 PolarHBondContact O-N 2.97Å; F246-G248 PolarHBondContact O-N 3.23Å; F246-G248 VanDerWaalsContact O-N 3.08Å; F246-S249 WeakPolarHBondContact O-CB 3.26Å; F246-S249 PolarHBondContact O-N 3.36Å; F246-F252 WeakPolarHBondContact O-CB 3.5Å
247P94.6Very high95.2Very high80 Ų8053.2 Ų53.252%0.51930%0.3SS..THydrogen-bonded Turntrans-65.3-16.1-178.129-36.7000114E245 F252E245-P247 WeakPolarHBondContact O-CD 3.22Å; P247-F252 HydrophobicContact CB-CD2 4.44Å; P247-F252 HydrophobicContact CB-CE2 4.21Å; P247-F252 HydrophobicContact CB-CZ 4.26Å; P247-F252 WeakPolarHBondContact O-CD1 3.35Å
248G90.3Very high95.4Very high76 Ų7648.5 Ų48.578%0.78428%0.279SS*.THydrogen-bonded Turntrans-87.7-7.6175.400000114.8F246F246-G248 PolarHBondContact O-N 3.23Å; F246-G248 VanDerWaalsContact O-N 3.08Å
249S90.9Very high95.5Very high18 Ų1843.6 Ų43.613%0.12626%0.257CS..SBendtrans-71.4141.1-178.8172.40000111.3D229 F246 T251 F252 A253D229-S249 PolarHBondContact OD2-OG 3.46Å; F246-S249 WeakPolarHBondContact O-CB 3.26Å; F246-S249 PolarHBondContact O-N 3.36Å; S249-T251 PolarHBondContact O-N 3.32Å; S249-T251 WeakPolarHBondContact OG-CB 3.35Å; S249-T251 PolarHBondContact OG-N 3.34Å; S249-T251 PolarHBondContact OG-OG1 2.93Å; S249-F252 WeakPolarHBondContact O-CB 3.38Å; S249-F252 PolarHBondContact O-N 2.91Å; S249-F252 VanDerWaalsContact O-N 3.1Å; S249-A253 PolarHBondContact O-N 3.17Å
250P90.6Very high95.6Very high63 Ų6350.1 Ų50.141%0.40928%0.275SS..Hα-helixtrans-53-31.6166.6-26.435.2000113.3T195 A253 A254T195-P250 HydrophobicContact CG2-CG 4.04Å; P250-A253 PolarHBondContact O-N 2.73Å; P250-A254 PolarHBondContact O-N 3.46Å; P250-A254 VanDerWaalsContact O-N 3.08Å
251T94.5Very high95.6Very high0 Ų050.6 Ų50.60%028%0.276CS..Hα-helixtrans-68.9-38179-46.50000111.5T195 V226 P227 D229 L232 F242 S249 A253 A254 L255T195-T251 PolarHBondContact OG1-OG1 2.83Å; V226-T251 HydrophobicContact CG1-CG2 3.91Å; P227-T251 HydrophobicContact CG-CG2 4.44Å; P227-T251 WeakPolarHBondContact CG-OG1 3.29Å; D229-T251 HydrophobicContact CB-CG2 4.02Å; D229-T251 WeakPolarHBondContact CB-OG1 3.3Å; D229-T251 VanDerWaalsContact CG-OG1 3.31Å; D229-T251 WeakPolarHBondContact OD2-CB 3.47Å; D229-T251 PolarHBondContact OD2-OG1 3.3Å; L232-T251 HydrophobicContact CD2-CG2 3.84Å; F242-T251 HydrophobicContact CE1-CG2 4.05Å; F242-T251 HydrophobicContact CZ-CG2 4.15Å; S249-T251 PolarHBondContact O-N 3.32Å; S249-T251 WeakPolarHBondContact OG-CB 3.35Å; S249-T251 PolarHBondContact OG-N 3.34Å; S249-T251 PolarHBondContact OG-OG1 2.93Å; T251-A253 VanDerWaalsContact C-N 3.32Å; T251-A253 PolarHBondContact O-N 3.2Å; T251-A254 PolarHBondContact O-N 3.46Å; T251-L255 HydrophobicContact CG2-CD1 4.07Å; T251-L255 HydrophobicContact CG2-CG 4.49Å; T251-L255 WeakPolarHBondContact O-CG 3.41Å; T251-L255 PolarHBondContact O-N 2.93Å
252F95.4Very high95.6Very high52 Ų5249.5 Ų49.523%0.22827%0.27CS..Hα-helixtrans-58.2-45.8171.7165.1-87.5000110.8F242 I243 F246 P247 S249 A254 L255 T256F242-F252 HydrophobicContact CE1-CB 4.26Å; I243-F252 HydrophobicContact CB-CD2 4.48Å; I243-F252 HydrophobicContact CD1-CD2 4.21Å; I243-F252 HydrophobicContact CG2-CD2 3.97Å; I243-F252 HydrophobicContact CG2-CE2 3.68Å; I243-F252 WeakPolarHBondContact O-CD2 3.38Å; I243-F252 WeakPolarHBondContact O-CE2 3.34Å; F246-F252 WeakPolarHBondContact O-CB 3.5Å; P247-F252 HydrophobicContact CB-CD2 4.44Å; P247-F252 HydrophobicContact CB-CE2 4.21Å; P247-F252 HydrophobicContact CB-CZ 4.26Å; P247-F252 WeakPolarHBondContact O-CD1 3.35Å; S249-F252 WeakPolarHBondContact O-CB 3.38Å; S249-F252 PolarHBondContact O-N 2.91Å; S249-F252 VanDerWaalsContact O-N 3.1Å; F252-A254 VanDerWaalsContact C-N 3.32Å; F252-A254 PolarHBondContact O-N 2.79Å; F252-L255 PolarHBondContact O-N 2.9Å; F252-T256 HydrophobicContact CD1-CG2 4.37Å; F252-T256 HydrophobicContact CD2-CG2 3.96Å; F252-T256 HydrophobicContact CE1-CG2 4.07Å; F252-T256 HydrophobicContact CE2-CG2 3.67Å; F252-T256 HydrophobicContact CG-CG2 4.31Å; F252-T256 HydrophobicContact CZ-CG2 3.71Å; F252-T256 WeakPolarHBondContact O-CB 3.37Å; F252-T256 WeakPolarHBondContact O-CG2 3.31Å; F252-T256 PolarHBondContact O-N 3.45Å; F252-T256 PolarHBondContact O-OG1 3.3Å
253A95.1Very high95.5Very high54 Ų5451.5 Ų51.545%0.44628%0.28SS..Hα-helixtrans-62.5-39.4178.600000111.9S249 P250 T251 T256 S257S249-A253 PolarHBondContact O-N 3.17Å; P250-A253 PolarHBondContact O-N 2.73Å; T251-A253 VanDerWaalsContact C-N 3.32Å; T251-A253 PolarHBondContact O-N 3.2Å; A253-T256 PolarHBondContact O-OG1 3.43Å; A253-S257 WeakPolarHBondContact O-CB 3.3Å; A253-S257 PolarHBondContact O-N 3.01Å
254A96.3Very high95.3Very high19 Ų1957.1 Ų57.116%0.15731%0.311CS..Hα-helixtrans-63.5-51.1175.600000112.3S225 V226 P250 T251 F252 S257 I258S225-A254 WeakPolarHBondContact O-CB 3.41Å; V226-A254 HydrophobicContact CG2-CB 4.49Å; P250-A254 PolarHBondContact O-N 3.46Å; P250-A254 VanDerWaalsContact O-N 3.08Å; T251-A254 PolarHBondContact O-N 3.46Å; F252-A254 VanDerWaalsContact C-N 3.32Å; F252-A254 PolarHBondContact O-N 2.79Å; A254-S257 PolarHBondContact O-N 3.03Å; A254-I258 WeakPolarHBondContact O-CG1 3.45Å; A254-I258 PolarHBondContact O-N 3.48Å
255L97.6Very high94.9Very high9 Ų950.9 Ų50.95%0.04730%0.299CS..Hα-helixtrans-63.7-46.2-178.4-69.3168.5000112I31 E34 V226 L232 F242 I243 T251 F252 S257 I258 A259I31-L255 HydrophobicContact CD1-CD2 4.29Å; E34-L255 HydrophobicContact CB-CD1 3.9Å; E34-L255 HydrophobicContact CB-CD2 3.73Å; E34-L255 HydrophobicContact CB-CG 4.34Å; E34-L255 HydrophobicContact CG-CD1 3.78Å; E34-L255 HydrophobicContact CG-CD2 4.22Å; V226-L255 HydrophobicContact CG1-CD2 4.12Å; V226-L255 HydrophobicContact CG1-CG 4.4Å; V226-L255 HydrophobicContact CG2-CD2 3.92Å; L232-L255 HydrophobicContact CD2-CD1 4.5Å; F242-L255 HydrophobicContact CD1-CD1 4.03Å; F242-L255 HydrophobicContact CE1-CD1 4.06Å; I243-L255 HydrophobicContact CD1-CB 3.94Å; I243-L255 HydrophobicContact CD1-CD1 3.96Å; T251-L255 HydrophobicContact CG2-CD1 4.07Å; T251-L255 HydrophobicContact CG2-CG 4.49Å; T251-L255 WeakPolarHBondContact O-CG 3.41Å; T251-L255 PolarHBondContact O-N 2.93Å; F252-L255 PolarHBondContact O-N 2.9Å; L255-S257 VanDerWaalsContact C-N 3.34Å; L255-S257 PolarHBondContact O-N 3.46Å; L255-I258 PolarHBondContact O-N 2.83Å; L255-A259 PolarHBondContact O-N 3.11Å
256T97.1Very high94.4Very high32 Ų3247.1 Ų47.120%0.19628%0.282CS..Hα-helixtrans-67.4-33.6178.255.10000112.7I243 F252 A253 A259 R260I243-T256 HydrophobicContact CD1-CG2 4.44Å; I243-T256 HydrophobicContact CG2-CG2 4.48Å; F252-T256 HydrophobicContact CD1-CG2 4.37Å; F252-T256 HydrophobicContact CD2-CG2 3.96Å; F252-T256 HydrophobicContact CE1-CG2 4.07Å; F252-T256 HydrophobicContact CE2-CG2 3.67Å; F252-T256 HydrophobicContact CG-CG2 4.31Å; F252-T256 HydrophobicContact CZ-CG2 3.71Å; F252-T256 WeakPolarHBondContact O-CB 3.37Å; F252-T256 WeakPolarHBondContact O-CG2 3.31Å; F252-T256 PolarHBondContact O-N 3.45Å; F252-T256 PolarHBondContact O-OG1 3.3Å; A253-T256 PolarHBondContact O-OG1 3.43Å; T256-A259 PolarHBondContact O-N 3.43Å; T256-R260 VanDerWaalsContact O-CB 3.32Å; T256-R260 WeakPolarHBondContact O-CB 3.46Å; T256-R260 PolarHBondContact O-N 2.96Å
257S97.9Very high93.5Very high49 Ų4948.6 Ų48.634%0.34330%0.296SS..Hα-helixtrans-63.9-43.9172.6-178.40000111.8A253 A254 L255 R260 K261A253-S257 WeakPolarHBondContact O-CB 3.3Å; A253-S257 PolarHBondContact O-N 3.01Å; A254-S257 PolarHBondContact O-N 3.03Å; L255-S257 VanDerWaalsContact C-N 3.34Å; L255-S257 PolarHBondContact O-N 3.46Å; S257-R260 PolarHBondContact O-N 2.8Å; S257-K261 WeakPolarHBondContact O-CG 3.35Å; S257-K261 PolarHBondContact O-N 2.88Å
258I97.9Very high92.3Very high8 Ų851.3 Ų51.34%0.04131%0.312CS..Hα-helixtrans-61.3-49.1175-69.4162.7000110.5V188 L223 V226 A254 L255 R260 K261 I262V188-I258 HydrophobicContact CG1-CD1 3.84Å; V188-I258 HydrophobicContact CG2-CD1 4.24Å; V188-I258 HydrophobicContact CG2-CG2 4.07Å; L223-I258 HydrophobicContact CB-CG1 4.32Å; L223-I258 HydrophobicContact CB-CG2 4.31Å; V226-I258 HydrophobicContact CG2-CD1 3.62Å; A254-I258 WeakPolarHBondContact O-CG1 3.45Å; A254-I258 PolarHBondContact O-N 3.48Å; L255-I258 PolarHBondContact O-N 2.83Å; I258-R260 VanDerWaalsContact C-N 3.32Å; I258-R260 PolarHBondContact O-N 3.36Å; I258-K261 PolarHBondContact O-N 2.62Å; I258-I262 HydrophobicContact CG2-CD1 4.02Å; I258-I262 WeakPolarHBondContact O-CG1 3.47Å; I258-I262 PolarHBondContact O-N 2.72Å; I258-I262 VanDerWaalsContact O-N 3.11Å
259A97.6Very high90.6Very high4 Ų454.8 Ų54.83%0.03330%0.302CS..Hα-helixtrans-60.8-40.2178.400000112.2L35 A38 L255 T256 I262 L263L35-A259 HydrophobicContact CD1-CB 4.12Å; A38-A259 HydrophobicContact CB-CB 3.55Å; L255-A259 PolarHBondContact O-N 3.11Å; T256-A259 PolarHBondContact O-N 3.43Å; A259-I262 WeakPolarHBondContact O-CB 3.47Å; A259-I262 PolarHBondContact O-N 3.13Å; A259-L263 WeakPolarHBondContact O-CG 3.47Å; A259-L263 PolarHBondContact O-N 3.25Å
260R97.2Very high88.2Confident157 Ų15761.5 Ų61.559%0.59234%0.336SS*.Hα-helixtrans-62.5-45.8175.9-173178-65.2146.72.3112T256 S257 I258 I262 L263 D264T256-R260 VanDerWaalsContact O-CB 3.32Å; T256-R260 WeakPolarHBondContact O-CB 3.46Å; T256-R260 PolarHBondContact O-N 2.96Å; S257-R260 PolarHBondContact O-N 2.8Å; I258-R260 VanDerWaalsContact C-N 3.32Å; I258-R260 PolarHBondContact O-N 3.36Å; R260-I262 PolarHBondContact O-N 3.11Å; R260-L263 PolarHBondContact O-N 3.2Å; R260-L263 VanDerWaalsContact O-N 3.12Å; R260-D264 WeakPolarHBondContact O-CB 3.28Å; R260-D264 PolarHBondContact O-N 3.38Å
261K97.1Very high85.8Confident86 Ų8667.3 Ų67.337%0.37437%0.374SS..Hα-helixtrans-57.9-36.4175.2-71.3174.1-177.7-1790112.1L223 S257 I258 A265L223-K261 HydrophobicContact CD2-CB 4.13Å; L223-K261 HydrophobicContact CD2-CD 4.23Å; L223-K261 WeakPolarHBondContact O-CD 2.83Å; L223-K261 PolarHBondContact O-NZ 3.27Å; S257-K261 WeakPolarHBondContact O-CG 3.35Å; S257-K261 PolarHBondContact O-N 2.88Å; I258-K261 PolarHBondContact O-N 2.62Å; K261-A265 VanDerWaalsContact O-CB 3.23Å; K261-A265 WeakPolarHBondContact O-CB 3Å; K261-A265 PolarHBondContact O-N 2.88Å; K261-A265 VanDerWaalsContact O-N 3.09Å
262I95.7Very high85.4Confident2 Ų270.7 Ų70.71%0.0139%0.392CS..Hα-helixtrans-67.5-48.3175.2-70.6161.3000110.7I17 L35 L157 M185 I258 A259 R260 D264 A265 T266I17-I262 HydrophobicContact CD1-CG2 3.61Å; L35-I262 HydrophobicContact CD1-CD1 3.46Å; L35-I262 VanDerWaalsContact CD1-CD1 3.46Å; L35-I262 HydrophobicContact CD2-CD1 4.04Å; L35-I262 HydrophobicContact CG-CD1 4.41Å; L157-I262 HydrophobicContact CD1-CD1 3.64Å; L157-I262 HydrophobicContact CD2-CD1 3.84Å; L157-I262 HydrophobicContact CD2-CG1 4.15Å; L157-I262 HydrophobicContact CG-CD1 4.36Å; M185-I262 HydrophobicContact CE-CG1 4.4Å; M185-I262 HydrophobicContact CE-CG2 4Å; I258-I262 HydrophobicContact CG2-CD1 4.02Å; I258-I262 WeakPolarHBondContact O-CG1 3.47Å; I258-I262 PolarHBondContact O-N 2.72Å; I258-I262 VanDerWaalsContact O-N 3.11Å; A259-I262 WeakPolarHBondContact O-CB 3.47Å; A259-I262 PolarHBondContact O-N 3.13Å; R260-I262 PolarHBondContact O-N 3.11Å; I262-D264 VanDerWaalsContact C-N 3.33Å; I262-D264 PolarHBondContact O-N 3.41Å; I262-A265 PolarHBondContact O-N 2.97Å; I262-T266 PolarHBondContact O-N 2.93Å; I262-T266 VanDerWaalsContact O-N 3.16Å; I262-T266 PolarHBondContact O-OG1 3.21Å
263L95.2Very high84.9Confident41 Ų4171.6 Ų71.622%0.21540%0.401CS..Hα-helixtrans-58-45.3177.2-71.3168.3000111.4L39 A42 K44 Y128 A259 R260 A265 T266L39-L263 HydrophobicContact CD2-CD1 4.38Å; L39-L263 HydrophobicContact CD2-CD2 3.57Å; L39-L263 HydrophobicContact CD2-CG 3.83Å; A42-L263 HydrophobicContact CB-CD1 3.72Å; K44-L263 HydrophobicContact CG-CD2 4.23Å; Y128-L263 HydrophobicContact CE2-CD2 3.98Å; A259-L263 WeakPolarHBondContact O-CG 3.47Å; A259-L263 PolarHBondContact O-N 3.25Å; R260-L263 PolarHBondContact O-N 3.2Å; R260-L263 VanDerWaalsContact O-N 3.12Å; L263-A265 VanDerWaalsContact C-N 3.32Å; L263-A265 PolarHBondContact O-N 2.69Å; L263-T266 PolarHBondContact O-N 2.81Å
264D93.3Very high84.3Confident127 Ų12772.6 Ų72.668%0.67940%0.398SS*.Hα-helixtrans-67.8-31.9-179-65-18.7000112.4R260 I262 T266R260-D264 WeakPolarHBondContact O-CB 3.28Å; R260-D264 PolarHBondContact O-N 3.38Å; I262-D264 VanDerWaalsContact C-N 3.33Å; I262-D264 PolarHBondContact O-N 3.41Å; D264-T266 VanDerWaalsContact C-N 3.28Å
265A88Confident83.6Confident56 Ų5675.8 Ų75.846%0.46341%0.413SS..Hα-helixtrans-80.3-9.217700000113.5K261 I262 L263K261-A265 VanDerWaalsContact O-CB 3.23Å; K261-A265 WeakPolarHBondContact O-CB 3Å; K261-A265 PolarHBondContact O-N 2.88Å; K261-A265 VanDerWaalsContact O-N 3.09Å; I262-A265 PolarHBondContact O-N 2.97Å; L263-A265 VanDerWaalsContact C-N 3.32Å; L263-A265 PolarHBondContact O-N 2.69Å
266T86.7Confident82.7Confident10 Ų1079.9 Ų79.96%0.06144%0.435CS..SBendtrans-93.7128.6-176-560000110.3H15 Y128 L154 I262 L263 D264 T268H15-T266 HydrophobicContact CB-CG2 4.45Å; H15-T266 VanDerWaalsContact CD2-CG2 3.43Å; H15-T266 WeakPolarHBondContact CD2-CG2 3.28Å; H15-T266 WeakPolarHBondContact CE1-CG2 3.34Å; H15-T266 VanDerWaalsContact CG-CG2 3.5Å; H15-T266 WeakPolarHBondContact ND1-CG2 3.38Å; H15-T266 VanDerWaalsContact NE2-CG2 3.27Å; H15-T266 WeakPolarHBondContact NE2-CG2 3.36Å; Y128-T266 HydrophobicContact CE1-CG2 4.14Å; Y128-T266 WeakPolarHBondContact OH-CB 3.39Å; Y128-T266 WeakPolarHBondContact OH-CG2 3.38Å; L154-T266 HydrophobicContact CD2-CG2 3.83Å; L154-T266 WeakPolarHBondContact CD2-OG1 3.39Å; I262-T266 PolarHBondContact O-N 2.93Å; I262-T266 VanDerWaalsContact O-N 3.16Å; I262-T266 PolarHBondContact O-OG1 3.21Å; L263-T266 PolarHBondContact O-N 2.81Å; D264-T266 VanDerWaalsContact C-N 3.28Å; T266-T268 PolarHBondContact O-N 3.34Å
267P75.9Confident81.8Confident77 Ų7783.1 Ų83.150%0.545%0.451SS..  trans-60.1127.7178.1-18.630.1000110.4Y269P267-Y269 PolarHBondContact O-N 3.13Å
268T68.5Low80.6Confident138 Ų13885.6 Ų85.685%0.84746%0.459SS*.  trans-74111169.926.40000108.6T266 L270T266-T268 PolarHBondContact O-N 3.34Å; T268-L270 PolarHBondContact O-N 3.37Å
269Y54.4Low79.3Confident149 Ų14991.5 Ų91.558%0.58449%0.491SS*.  trans-70.9110163.9-76.5-81.2000108H15 P267H15-Y269 AromaticContact CE1-CD2 3.78Å; H15-Y269 AromaticContact CE1-CE2 3.67Å; P267-Y269 PolarHBondContact O-N 3.13Å
270L39.9Very low77.7Confident159 Ų15998.8 Ų98.883%0.83253%0.529SS*.  trans-60.8135161.9-82.5158.5000107.7T268T268-L270 PolarHBondContact O-N 3.37Å
271P41.2Very low76Confident184 Ų18493.5 Ų93.5100%1.19552%0.524SS*.  trans-60.40179.126.7-34000112.6

Retrieved 271 of 271 residues in 354.3 ms (Link to these results)

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