A0A096NQ23_PAPAN Loading...

Type 2 lactosamine alpha-2,3-sialyltransferase AlphaSync

Transfers the sialyl residue from CMP-N-acetyl-beta-neuraminate to the terminal galactose residue on sugar chains of glycoproteins and glycolipids. It's alpha-2,3-sialyltransferase activity is specific toward type II glycan chains (Galbeta1-4GlcNAc) on glycoproteins and glycolipids such as neolactosides nLc4Cer and nLc6Cer, whose sialyl-products serve as precursors for the Lewis X antigen. Critically involved in the synthesis of functional selectin ligands needed for neutrophil recruitment during inflammation and lymphocyte homing to the lymph nodes.

AlphaFold DB (Q9Y274-2), UniProt , Accession A0A096NQ23, Species PAPAN (Papio anubis, Olive baboon), Gene ST3GAL6, Length 213 aa.

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Download Structure   AlphaSync Parameters   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
1M40.9Very low40.3Very low214 Ų214112.9 Ų112.9100%1.05453%0.533SS*.  0-37.50-86.5179-178.400114.3S4M1-S4 PolarHBondContact O-OG 3.16Å
2R34Very low40.5Very low234 Ų234109 Ų10988%0.88352%0.517SS*.Hα-helixtrans-70.7-26.7176.7-98.8-177.3175.6177.7-1.7115.2
3T37.9Very low40.8Very low82 Ų82107.6 Ų107.650%0.50353%0.526SS..Hα-helixtrans-70.1-42.5-176.141.50000112.7A5 E6 Y7T3-A5 VanDerWaalsContact C-N 3.29Å; T3-A5 PolarHBondContact O-N 3.07Å; T3-E6 PolarHBondContact O-N 3.49Å; T3-Y7 WeakPolarHBondContact O-CD2 3.48Å
4S41.5Very low40.9Very low52 Ų52110.6 Ų110.636%0.36454%0.535SS..Hα-helixtrans-59.4-38.4-179.954.70000112.7M1 E6 Y7 F8M1-S4 PolarHBondContact O-OG 3.16Å; S4-E6 PolarHBondContact O-N 2.96Å; S4-Y7 PolarHBondContact O-N 3.47Å; S4-F8 WeakPolarHBondContact O-CB 3.09Å; S4-F8 WeakPolarHBondContact O-CD2 3.39Å; S4-F8 PolarHBondContact O-N 3.14Å
5A40.5Very low41.1Very low38 Ų38107.5 Ų107.531%0.31452%0.522SS..Hα-helixtrans-63.9-34.3-178.700000113.7T3 R9T3-A5 VanDerWaalsContact C-N 3.29Å; T3-A5 PolarHBondContact O-N 3.07Å; A5-R9 WeakPolarHBondContact O-CB 3.11Å; A5-R9 VanDerWaalsContact O-CG 3.31Å; A5-R9 WeakPolarHBondContact O-CG 3.32Å; A5-R9 PolarHBondContact O-N 3.41Å
6E39Very low41.1Very low141 Ų141112.1 Ų112.166%0.65954%0.542SS*.Hα-helixtrans-73.7-39.2178.9-73.9-170.815900112.2T3 S4 R9 L10T3-E6 PolarHBondContact O-N 3.49Å; S4-E6 PolarHBondContact O-N 2.96Å; E6-R9 PolarHBondContact O-N 3.36Å; E6-L10 PolarHBondContact O-N 3.28Å
7Y43.3Very low41.7Very low142 Ų142111.5 Ų111.556%0.55755%0.552SS**Hα-helixtrans-69-38.9174.6-63.7-75.3000111.7T3 S4 L10 A11T3-Y7 WeakPolarHBondContact O-CD2 3.48Å; S4-Y7 PolarHBondContact O-N 3.47Å; Y7-L10 CarbonylContact O-C 3.56Å; Y7-L10 WeakPolarHBondContact O-CB 2.78Å; Y7-L10 PolarHBondContact O-N 3.32Å; Y7-L10 VanDerWaalsContact O-N 3.12Å; Y7-A11 PolarHBondContact O-N 3.42Å
8F40.9Very low42.3Very low39 Ų39106.6 Ų106.617%0.17153%0.53CS..Hα-helixtrans-61.7-42.7171.9-98.7-88.1000111.4S4 L10 A11 L12 F21 E38 A159S4-F8 WeakPolarHBondContact O-CB 3.09Å; S4-F8 WeakPolarHBondContact O-CD2 3.39Å; S4-F8 PolarHBondContact O-N 3.14Å; F8-L10 VanDerWaalsContact C-N 3.26Å; F8-L10 PolarHBondContact O-N 2.74Å; F8-A11 PolarHBondContact O-N 3.44Å; F8-L12 VanDerWaalsContact O-CB 3.24Å; F8-L12 WeakPolarHBondContact O-CB 3.48Å; F8-L12 WeakPolarHBondContact O-CG 3.04Å; F8-L12 PolarHBondContact O-N 3.31Å; F8-F21 HydrophobicContact CE1-CE1 4.46Å; F8-E38 WeakPolarHBondContact CE1-O 3.32Å; F8-E38 WeakPolarHBondContact CZ-O 3.5Å; F8-A159 HydrophobicContact CE1-CB 4.38Å; F8-A159 HydrophobicContact CZ-CB 4.17Å
9R41.4Very low42.8Very low182 Ų182102.9 Ų102.969%0.68751%0.513SS*.Hα-helixtrans-60-36.2172.6-78.1177.9-177.6-176.62.3112.7A5 E6 L12 S13A5-R9 WeakPolarHBondContact O-CB 3.11Å; A5-R9 VanDerWaalsContact O-CG 3.31Å; A5-R9 WeakPolarHBondContact O-CG 3.32Å; A5-R9 PolarHBondContact O-N 3.41Å; E6-R9 PolarHBondContact O-N 3.36Å; R9-L12 PolarHBondContact O-N 3.48Å; R9-S13 WeakPolarHBondContact O-CB 3.38Å; R9-S13 PolarHBondContact O-N 2.89Å; R9-S13 PolarHBondContact O-OG 2.84Å
10L39.8Very low43.2Very low101 Ų10199.1 Ų99.153%0.52949%0.494SS..Hα-helixtrans-71-37.7177.1-153.287.6000112.4E6 Y7 F8 S13 K14E6-L10 PolarHBondContact O-N 3.28Å; Y7-L10 CarbonylContact O-C 3.56Å; Y7-L10 WeakPolarHBondContact O-CB 2.78Å; Y7-L10 PolarHBondContact O-N 3.32Å; Y7-L10 VanDerWaalsContact O-N 3.12Å; F8-L10 VanDerWaalsContact C-N 3.26Å; F8-L10 PolarHBondContact O-N 2.74Å; L10-S13 PolarHBondContact O-OG 2.81Å; L10-K14 WeakPolarHBondContact O-CG 3.32Å; L10-K14 PolarHBondContact O-N 3.36Å
11A44.4Very low43.6Very low17 Ų1795.4 Ų95.414%0.1448%0.475CS..Hα-helixtrans-65.5-44.6170.600000110.6Y7 F8 S13 K14 L15 L210Y7-A11 PolarHBondContact O-N 3.42Å; F8-A11 PolarHBondContact O-N 3.44Å; A11-S13 VanDerWaalsContact C-N 3.29Å; A11-S13 PolarHBondContact O-N 2.98Å; A11-K14 PolarHBondContact O-N 2.94Å; A11-L15 VanDerWaalsContact O-CD2 3.27Å; A11-L15 WeakPolarHBondContact O-CD2 3.44Å; A11-L15 WeakPolarHBondContact O-CG 3.32Å; A11-L15 PolarHBondContact O-N 3.3Å; A11-L210 HydrophobicContact CB-CD1 3.64Å; A11-L210 HydrophobicContact CB-CD2 4.06Å; A11-L210 HydrophobicContact CB-CG 4.45Å
12L42.5Very low43.9Very low66 Ų6685.2 Ų85.235%0.34643%0.425SS..Hα-helixtrans-65.8-26178.1-68.9171.4000113.5F8 R9 L15F8-L12 VanDerWaalsContact O-CB 3.24Å; F8-L12 WeakPolarHBondContact O-CB 3.48Å; F8-L12 WeakPolarHBondContact O-CG 3.04Å; F8-L12 PolarHBondContact O-N 3.31Å; R9-L12 PolarHBondContact O-N 3.48Å; L12-L15 HydrophobicContact CB-CD1 4.31Å; L12-L15 HydrophobicContact CD2-CD1 3.83Å; L12-L15 HydrophobicContact CD2-CD2 4.5Å; L12-L15 VanDerWaalsContact O-CD1 3.28Å; L12-L15 WeakPolarHBondContact O-CD1 3.41Å; L12-L15 VanDerWaalsContact O-CG 3.25Å; L12-L15 WeakPolarHBondContact O-CG 3.44Å
13S43.8Very low44.3Very low91 Ų9174.8 Ų74.864%0.63639%0.386SS*.Hα-helixtrans-82.9-19176.569.70000113.2R9 L10 A11R9-S13 WeakPolarHBondContact O-CB 3.38Å; R9-S13 PolarHBondContact O-N 2.89Å; R9-S13 PolarHBondContact O-OG 2.84Å; L10-S13 PolarHBondContact O-OG 2.81Å; A11-S13 VanDerWaalsContact C-N 3.29Å; A11-S13 PolarHBondContact O-N 2.98Å
14K43Very low44.6Very low149 Ų14971.4 Ų71.465%0.64837%0.365SS*.SBendtrans-93.9-2.2178.8-72.6-173.2178.1-172.60114.4L10 A11 Q16L10-K14 WeakPolarHBondContact O-CG 3.32Å; L10-K14 PolarHBondContact O-N 3.36Å; A11-K14 PolarHBondContact O-N 2.94Å; K14-Q16 PolarHBondContact O-N 2.95Å
15L43.3Very low45Very low64 Ų6469.5 Ų69.534%0.33535%0.35SS..  trans-59.592-173.1-50.8168.6000112.3A11 L12 D19A11-L15 VanDerWaalsContact O-CD2 3.27Å; A11-L15 WeakPolarHBondContact O-CD2 3.44Å; A11-L15 WeakPolarHBondContact O-CG 3.32Å; A11-L15 PolarHBondContact O-N 3.3Å; L12-L15 HydrophobicContact CB-CD1 4.31Å; L12-L15 HydrophobicContact CD2-CD1 3.83Å; L12-L15 HydrophobicContact CD2-CD2 4.5Å; L12-L15 VanDerWaalsContact O-CD1 3.28Å; L12-L15 WeakPolarHBondContact O-CD1 3.41Å; L12-L15 VanDerWaalsContact O-CG 3.25Å; L12-L15 WeakPolarHBondContact O-CG 3.44Å; L15-D19 HydrophobicContact CD2-CB 4.1Å; L15-D19 WeakPolarHBondContact CD2-OD2 3.4Å
16Q41.9Very low45.5Very low181 Ų18168.1 Ų68.185%0.84634%0.337SS*.  trans-96.588155.8-90.3-176.7-17.900107.8K14 C18K14-Q16 PolarHBondContact O-N 2.95Å; Q16-C18 PolarHBondContact O-N 3.41Å
17S50.6Low46.2Very low102 Ų10261.7 Ų61.771%0.71331%0.307SS*.SBendtrans37.979160.6630000116.5
18C52.5Low47.9Very low24 Ų2455.4 Ų55.416%0.16228%0.283CS..  trans170.539.5147.8-101.50000115.2Q16 L20 C153Q16-C18 PolarHBondContact O-N 3.41Å; C18-L20 PolarHBondContact O-N 3.15Å; C18-C153 HydrophobicContact CB-CB 3.26Å; C18-C153 WeakPolarHBondContact CB-SG 3.38Å; C18-C153 VanDerWaalsContact SG-CA 3.5Å; C18-C153 WeakPolarHBondContact SG-CB 2.96Å; C18-C153 CovalentContact SG-SG 2.01Å; C18-C153 PolarHBondContact SG-SG 2.91Å
19D52.7Low49.5Very low37 Ų3756.6 Ų56.620%0.19829%0.291CS..  trans-79.4115.5-177.6-46.9-75000110.5L15 F21 H157L15-D19 HydrophobicContact CD2-CB 4.1Å; L15-D19 WeakPolarHBondContact CD2-OD2 3.4Å; D19-F21 HydrophobicContact CB-CD2 4.4Å; D19-F21 HydrophobicContact CB-CE2 3.61Å; D19-F21 HydrophobicContact CB-CZ 4Å; D19-H157 IonicContact OD1-CE1 3.75Å; D19-H157 IonicContact OD1-CG 2.85Å; D19-H157 IonicContact OD1-ND1 3.86Å; D19-H157 PolarHBondContact OD1-ND1 2.96Å
20L49.5Very low51.1Low26 Ų2647.9 Ų47.914%0.13626%0.259CS..EExtended strand (participates in β ladder)trans-88.8119.2170.7-70.6178.8000108.6C18 A145 I146 A149 V156 H157 L158 F161C18-L20 PolarHBondContact O-N 3.15Å; L20-A145 VanDerWaalsContact CD1-C 3.45Å; L20-A145 HydrophobicContact CD1-CB 4.19Å; L20-A145 WeakPolarHBondContact CD1-O 3.31Å; L20-A145 HydrophobicContact CD2-CB 3.94Å; L20-I146 HydrophobicContact CD1-CB 4.31Å; L20-I146 HydrophobicContact CD1-CG1 4.02Å; L20-A149 HydrophobicContact CD1-CB 3.19Å; L20-A149 HydrophobicContact CD2-CB 4.17Å; L20-A149 HydrophobicContact CG-CB 3.67Å; L20-V156 HydrophobicContact CD1-CG1 4.05Å; L20-H157 PolarHBondContact N-O 3Å; L20-L158 HydrophobicContact CB-CD2 4.27Å; L20-F161 HydrophobicContact CB-CE2 4.36Å; L20-F161 HydrophobicContact CB-CZ 4.34Å
21F52.7Low53Low21 Ų2143.8 Ų43.89%0.09224%0.238CC..EExtended strand (participates in β ladder)trans-97.9141.2165.7-57-94.7000106.1F8 D19 D25 K26 V39 A159F8-F21 HydrophobicContact CE1-CE1 4.46Å; D19-F21 HydrophobicContact CB-CD2 4.4Å; D19-F21 HydrophobicContact CB-CE2 3.61Å; D19-F21 HydrophobicContact CB-CZ 4Å; F21-D25 HydrophobicContact CB-CB 3.56Å; F21-K26 HydrophobicContact CB-CD 4.15Å; F21-K26 HydrophobicContact CB-CG 4.25Å; F21-K26 HydrophobicContact CD2-CD 3.84Å; F21-K26 HydrophobicContact CG-CD 4.14Å; F21-V39 WeakPolarHBondContact CE1-O 3.46Å; F21-A159 HydrophobicContact CD1-CB 4.01Å; F21-A159 HydrophobicContact CE1-CB 4.33Å
22D46.8Very low54.8Low1 Ų144 Ų441%0.00524%0.237CC..  trans-44.3164.9-168-157.6-1.1000115.2F24 D25 M27 A159 G160 F161D22-F24 HydrophobicContact CB-CB 4.46Å; D22-F24 HydrophobicContact CB-CD2 4.39Å; D22-F24 CarbonylContact O-C 3.49Å; D22-F24 PolarHBondContact O-N 3.33Å; D22-F24 WeakPolarHBondContact OD2-CD2 3.47Å; D22-D25 PolarHBondContact O-N 2.9Å; D22-M27 WeakPolarHBondContact O-CG 3.38Å; D22-A159 PolarHBondContact N-O 3.41Å; D22-A159 VanDerWaalsContact N-O 3.15Å; D22-G160 VanDerWaalsContact OD2-C 3.26Å; D22-F161 HydrophobicContact CB-CD1 4.07Å; D22-F161 HydrophobicContact CB-CD2 3.75Å; D22-F161 HydrophobicContact CB-CE1 4.17Å; D22-F161 HydrophobicContact CB-CE2 3.88Å; D22-F161 HydrophobicContact CB-CG 3.89Å; D22-F161 HydrophobicContact CB-CZ 4.13Å; D22-F161 VanDerWaalsContact CG-CD1 3.41Å; D22-F161 VanDerWaalsContact N-CE2 3.27Å; D22-F161 WeakPolarHBondContact OD1-CD1 3.2Å; D22-F161 WeakPolarHBondContact OD1-CE1 3.46Å; D22-F161 VanDerWaalsContact OD2-CA 3.23Å; D22-F161 WeakPolarHBondContact OD2-CA 3.49Å; D22-F161 PolarHBondContact OD2-N 3.34Å
23E42.8Very low56.6Low14 Ų1445 Ų457%0.06524%0.243CC..THydrogen-bonded Turntrans-36.9-29.5161.3-159.9175.5-157.700113.2M27 T140 T141 G142E23-M27 WeakPolarHBondContact CA-SD 3.47Å; E23-M27 WeakPolarHBondContact O-CB 3.39Å; E23-T140 WeakPolarHBondContact OE1-CA 3.44Å; E23-T140 WeakPolarHBondContact OE1-CB 3.29Å; E23-T140 WeakPolarHBondContact OE2-CB 3.15Å; E23-T140 WeakPolarHBondContact OE2-CG2 3.4Å; E23-T141 HydrophobicContact CG-CG2 4.32Å; E23-T141 WeakPolarHBondContact OE1-CA 3.39Å; E23-T141 VanDerWaalsContact OE1-CB 3.25Å; E23-T141 WeakPolarHBondContact OE1-CB 3.35Å; E23-T141 PolarHBondContact OE1-N 3.12Å; E23-G142 VanDerWaalsContact CB-CA 3.48Å; E23-G142 VanDerWaalsContact CB-N 3.33Å
24F43.3Very low58.5Low12 Ų1243.7 Ų43.75%0.05324%0.243CC..THydrogen-bonded Turntrans-91.8-46.7-174.9-50.4-41.8000110.2D22 K26 G30 Y163 L172 H173 Y174 Y175D22-F24 HydrophobicContact CB-CB 4.46Å; D22-F24 HydrophobicContact CB-CD2 4.39Å; D22-F24 CarbonylContact O-C 3.49Å; D22-F24 PolarHBondContact O-N 3.33Å; D22-F24 WeakPolarHBondContact OD2-CD2 3.47Å; F24-K26 PolarHBondContact O-N 3.37Å; F24-G30 VanDerWaalsContact O-CA 3.28Å; F24-G30 WeakPolarHBondContact O-CA 3.33Å; F24-Y163 AromaticContact CE2-CE1 3.95Å; F24-Y163 HydrophobicContact CE2-CE1 3.95Å; F24-Y163 HydrophobicContact CZ-CE1 4.16Å; F24-L172 WeakPolarHBondContact CD2-O 3.49Å; F24-L172 HydrophobicContact CZ-CD1 4.32Å; F24-L172 HydrophobicContact CZ-CG 4.48Å; F24-H173 HydrophobicContact CB-CB 4.05Å; F24-H173 AromaticContact CD1-CE1 2.98Å; F24-H173 WeakPolarHBondContact CD1-CE1 3.15Å; F24-H173 AromaticContact CD1-CG 3.9Å; F24-H173 AromaticContact CD1-ND1 2.78Å; F24-H173 WeakPolarHBondContact CD1-ND1 3.45Å; F24-H173 AromaticContact CD2-ND1 3.83Å; F24-H173 AromaticContact CE1-CE1 3.09Å; F24-H173 WeakPolarHBondContact CE1-CE1 3.34Å; F24-H173 AromaticContact CE1-ND1 3.31Å; F24-H173 VanDerWaalsContact CE1-ND1 3.31Å; F24-H173 WeakPolarHBondContact CE1-ND1 3.25Å; F24-H173 HydrophobicContact CG-CB 4.46Å; F24-H173 AromaticContact CG-CE1 3.78Å; F24-H173 AromaticContact CG-ND1 3.07Å; F24-H173 WeakPolarHBondContact CG-ND1 3.33Å; F24-H173 AromaticContact CZ-CE1 3.97Å; F24-Y174 VanDerWaalsContact O-CE1 3.25Å; F24-Y174 WeakPolarHBondContact O-CE1 3.44Å; F24-Y175 VanDerWaalsContact O-CE1 3.28Å; F24-Y175 WeakPolarHBondContact O-CE1 3.42Å
25D49.3Very low60.4Low12 Ų1238.9 Ų38.96%0.06422%0.223CC..THydrogen-bonded Turntrans-70.3-38.3-166.5-7311.7000115.7F21 D22 V39 Y174F21-D25 HydrophobicContact CB-CB 3.56Å; D22-D25 PolarHBondContact O-N 2.9Å; D25-V39 HydrophobicContact CB-CB 4.05Å; D25-V39 HydrophobicContact CB-CG1 3.53Å; D25-Y174 HydrophobicContact CB-CD1 4.5Å; D25-Y174 HydrophobicContact CB-CE1 4.15Å; D25-Y174 PolarHBondContact O-OH 2.96Å; D25-Y174 WeakPolarHBondContact OD1-CD1 3.45Å; D25-Y174 VanDerWaalsContact OD1-CE1 3.31Å; D25-Y174 WeakPolarHBondContact OD1-CE1 3.47Å
26K51.4Low62.1Low9 Ų938.7 Ų38.74%0.03922%0.22CC..THydrogen-bonded Turntrans-143.53.3-179.4-67.6179178.5155.70114.3F21 F24 V32 V39 R42 T43 R46F21-K26 HydrophobicContact CB-CD 4.15Å; F21-K26 HydrophobicContact CB-CG 4.25Å; F21-K26 HydrophobicContact CD2-CD 3.84Å; F21-K26 HydrophobicContact CG-CD 4.14Å; F24-K26 PolarHBondContact O-N 3.37Å; K26-V32 HydrophobicContact CD-CG2 4.18Å; K26-V32 HydrophobicContact CG-CG2 3.76Å; K26-V39 WeakPolarHBondContact CE-O 3.43Å; K26-V39 PolarHBondContact NZ-O 2.97Å; K26-R42 WeakPolarHBondContact CE-O 3.44Å; K26-R42 PolarHBondContact NZ-O 2.72Å; K26-T43 HydrophobicContact CB-CG2 4.15Å; K26-T43 HydrophobicContact CD-CG2 4.1Å; K26-T43 WeakPolarHBondContact CD-OG1 3.3Å; K26-R46 VanDerWaalsContact O-CG 3.26Å; K26-R46 WeakPolarHBondContact O-CG 3.45Å; K26-R46 PolarHBondContact O-NE 2.93Å; K26-R46 PolarHBondContact O-NH1 3.24Å; K26-R46 PolarHBondContact O-NH2 2.93Å
27M54.7Low63.7Low5 Ų538.1 Ų38.13%0.02522%0.217CC..SBendtrans-98.8161.9-179-45.8-177.178.200108.9D22 E23 N29 G30 L47 T141 A145D22-M27 WeakPolarHBondContact O-CG 3.38Å; E23-M27 WeakPolarHBondContact CA-SD 3.47Å; E23-M27 WeakPolarHBondContact O-CB 3.39Å; M27-N29 PolarHBondContact O-N 2.87Å; M27-N29 VanDerWaalsContact O-N 3.13Å; M27-G30 PolarHBondContact O-N 3.17Å; M27-L47 HydrophobicContact CE-CB 3.5Å; M27-L47 HydrophobicContact CE-CD1 3.91Å; M27-L47 HydrophobicContact CE-CD2 3.75Å; M27-L47 HydrophobicContact CE-CG 3.89Å; M27-T141 HydrophobicContact CB-CG2 3.97Å; M27-T141 HydrophobicContact CE-CG2 3.43Å; M27-T141 VanDerWaalsContact CE-CG2 3.43Å; M27-T141 VanDerWaalsContact CE-O 3.26Å; M27-T141 WeakPolarHBondContact CE-O 3.33Å; M27-T141 HydrophobicContact SD-CG2 4.13Å; M27-A145 HydrophobicContact CE-CB 3.13Å; M27-A145 HydrophobicContact SD-CB 3.4Å; M27-A145 WeakPolarHBondContact SD-CB 3.49Å
28N77.7Confident64.7Low11 Ų1137.7 Ų37.76%0.05920%0.204CC..THydrogen-bonded Turntrans54.4-123.3-177.6-57.5-48.3000110.9R46 L47 Y49 S52N28-R46 PolarHBondContact O-NH1 3.49Å; N28-L47 PolarHBondContact N-O 3.3Å; N28-Y49 WeakPolarHBondContact OD1-CD1 3.5Å; N28-Y49 WeakPolarHBondContact OD1-CE1 3.03Å; N28-S52 CarbonylContact C-O 3.55Å; N28-S52 WeakPolarHBondContact CA-O 3.43Å; N28-S52 WeakPolarHBondContact CB-OG 3.35Å; N28-S52 VanDerWaalsContact OD1-CB 3.3Å; N28-S52 WeakPolarHBondContact OD1-CB 3.45Å; N28-S52 PolarHBondContact OD1-OG 3.09Å
29N74.5Confident65.7Low63 Ų6336.6 Ų36.634%0.33720%0.197SC..THydrogen-bonded Turntrans-104.626.8177.970.5-36.2000113.1M27 P31 S52 F54 Y175M27-N29 PolarHBondContact O-N 2.87Å; M27-N29 VanDerWaalsContact O-N 3.13Å; N29-P31 VanDerWaalsContact O-CD 3.25Å; N29-P31 WeakPolarHBondContact O-CD 3.3Å; N29-S52 WeakPolarHBondContact CB-O 3.42Å; N29-S52 PolarHBondContact N-O 2.89Å; N29-F54 HydrophobicContact CB-CD1 3.93Å; N29-F54 HydrophobicContact CB-CE1 3.68Å; N29-F54 HydrophobicContact CB-CZ 4.2Å; N29-F54 WeakPolarHBondContact O-CE1 3.23Å; N29-F54 WeakPolarHBondContact O-CZ 3.44Å; N29-Y175 WeakPolarHBondContact O-CE2 3.48Å; N29-Y175 PolarHBondContact OD1-OH 2.94Å
30G76.3Confident66.9Low0 Ų034.9 Ų34.90%019%0.188CC..  trans-66.2111.6170.800000111.5F24 M27 R46 F54 Y174 Y175F24-G30 VanDerWaalsContact O-CA 3.28Å; F24-G30 WeakPolarHBondContact O-CA 3.33Å; M27-G30 PolarHBondContact O-N 3.17Å; G30-R46 PolarHBondContact O-NH1 3.24Å; G30-R46 PolarHBondContact O-NH2 3.26Å; G30-F54 WeakPolarHBondContact O-CE2 3.38Å; G30-Y174 WeakPolarHBondContact CA-OH 3.4Å; G30-Y175 PolarHBondContact N-OH 3.06Å
31P80Confident68.4Low15 Ų1543.8 Ų43.810%0.09722%0.219CC..  trans-77133.4-177.331.2-33.7000111.3N29 F54 Y174 Y175N29-P31 VanDerWaalsContact O-CD 3.25Å; N29-P31 WeakPolarHBondContact O-CD 3.3Å; P31-F54 HydrophobicContact CB-CZ 4.15Å; P31-Y174 VanDerWaalsContact CD-OH 3.26Å; P31-Y174 WeakPolarHBondContact CD-OH 3.5Å; P31-Y174 VanDerWaalsContact N-OH 3.1Å; P31-Y174 WeakPolarHBondContact O-CE2 3.46Å; P31-Y174 PolarHBondContact O-OH 3.13Å; P31-Y175 HydrophobicContact CG-CD2 4.01Å; P31-Y175 HydrophobicContact CG-CG 3.95Å
32V80.3Confident69.5Low21 Ų2151.6 Ų51.613%0.12725%0.249CC..  trans-84.9-40.6166.7172.40000110.7K26 G34 H35 E36 V39 G40K26-V32 HydrophobicContact CD-CG2 4.18Å; K26-V32 HydrophobicContact CG-CG2 3.76Å; V32-G34 PolarHBondContact O-N 3.12Å; V32-H35 CarbonylContact O-C 3.59Å; V32-H35 PolarHBondContact O-N 3.42Å; V32-E36 HydrophobicContact CG1-CG 4.22Å; V32-E36 VanDerWaalsContact O-CD 3.29Å; V32-E36 PolarHBondContact O-N 2.86Å; V32-V39 HydrophobicContact CB-CG2 4.3Å; V32-V39 HydrophobicContact CG1-CG2 4.32Å; V32-V39 HydrophobicContact CG2-CG2 4.02Å; V32-G40 VanDerWaalsContact CG1-O 3.24Å; V32-G40 WeakPolarHBondContact CG1-O 3.15Å
33L81.8Confident71.3Confident88 Ų8851.9 Ų51.946%0.46125%0.25SS..THydrogen-bonded Turntrans-61.8123.6-179.5-174.969.7000110.5H35 E36 I58L33-H35 VanDerWaalsContact C-N 3.3Å; L33-E36 WeakPolarHBondContact CA-OE1 3.38Å; L33-I58 HydrophobicContact CD2-CD1 3.8Å; L33-I58 HydrophobicContact CD2-CG1 3.67Å
34G84.2Confident73.3Confident62 Ų6254.1 Ų54.164%0.63927%0.265SS*.THydrogen-bonded Turntrans85.8-3.8-177.300000114.6V32 E36V32-G34 PolarHBondContact O-N 3.12Å; G34-E36 WeakPolarHBondContact CA-OE2 3.22Å; G34-E36 PolarHBondContact N-OE1 3.49Å; G34-E36 PolarHBondContact N-OE2 3.45Å
35H81.5Confident75.5Confident49 Ų4957.5 Ų57.523%0.22728%0.28CS..  trans-130.419-178.9-65.2-88.8000112.1V32 L33 E37 E38 V39 Y174V32-H35 CarbonylContact O-C 3.59Å; V32-H35 PolarHBondContact O-N 3.42Å; L33-H35 VanDerWaalsContact C-N 3.3Å; H35-E37 PolarHBondContact O-N 3.02Å; H35-E37 VanDerWaalsContact O-N 3.08Å; H35-E38 IonicContact CE1-OE2 3.67Å; H35-E38 IonicContact CG-OE2 3.6Å; H35-E38 IonicContact ND1-OE2 3.46Å; H35-E38 PolarHBondContact ND1-OE2 3.46Å; H35-E38 PolarHBondContact O-N 3.11Å; H35-V39 HydrophobicContact CB-CG2 4.39Å; H35-V39 WeakPolarHBondContact O-CG2 3.25Å; H35-V39 PolarHBondContact O-N 3.18Å; H35-Y174 HydrophobicContact CB-CD2 3.9Å; H35-Y174 HydrophobicContact CB-CE2 3.47Å; H35-Y174 VanDerWaalsContact CB-CE2 3.47Å; H35-Y174 AromaticContact CD2-CE2 3.98Å; H35-Y174 AromaticContact CG-CD2 3.73Å; H35-Y174 AromaticContact CG-CE2 3.44Å; H35-Y174 VanDerWaalsContact CG-CE2 3.44Å; H35-Y174 AromaticContact ND1-CD2 3.42Å; H35-Y174 WeakPolarHBondContact ND1-CD2 3.47Å; H35-Y174 AromaticContact ND1-CE2 3.64Å
36E80.5Confident77.4Confident60 Ų6057.4 Ų57.428%0.2828%0.278SS..Hα-helixtrans-61.2-24-173-65.586.4164.500113.4V32 L33 G34 E38 G40 R41V32-E36 HydrophobicContact CG1-CG 4.22Å; V32-E36 VanDerWaalsContact O-CD 3.29Å; V32-E36 PolarHBondContact O-N 2.86Å; L33-E36 WeakPolarHBondContact CA-OE1 3.38Å; G34-E36 WeakPolarHBondContact CA-OE2 3.22Å; G34-E36 PolarHBondContact N-OE1 3.49Å; G34-E36 PolarHBondContact N-OE2 3.45Å; E36-E38 VanDerWaalsContact C-N 3.34Å; E36-G40 WeakPolarHBondContact O-CA 3.33Å; E36-G40 PolarHBondContact O-N 3.28Å; E36-R41 HydrophobicContact CB-CG 3.78Å; E36-R41 HydrophobicContact CG-CG 3.84Å
37E75.5Confident79.4Confident168 Ų16857 Ų5779%0.78528%0.277SS*.Hα-helixtrans-74.7-25.4175.2-61.1-163.2156.300112.9H35H35-E37 PolarHBondContact O-N 3.02Å; H35-E37 VanDerWaalsContact O-N 3.08Å
38E69.9Low81.3Confident94 Ų9456.8 Ų56.844%0.43928%0.276SS..Hα-helixtrans-93.7-43.7-177.6-61.1172.6143.100110.7F8 H35 E36 Y174F8-E38 WeakPolarHBondContact CE1-O 3.32Å; F8-E38 WeakPolarHBondContact CZ-O 3.5Å; H35-E38 IonicContact CE1-OE2 3.67Å; H35-E38 IonicContact CG-OE2 3.6Å; H35-E38 IonicContact ND1-OE2 3.46Å; H35-E38 PolarHBondContact ND1-OE2 3.46Å; H35-E38 PolarHBondContact O-N 3.11Å; E36-E38 VanDerWaalsContact C-N 3.34Å; E38-Y174 WeakPolarHBondContact OE2-CD2 3.3Å
39V74.9Confident82.1Confident0 Ų058.5 Ų58.50%028%0.282CS..Hα-helixtrans-110.7-5.5-173-510000113.4F21 D25 K26 V32 H35 Y174F21-V39 WeakPolarHBondContact CE1-O 3.46Å; D25-V39 HydrophobicContact CB-CB 4.05Å; D25-V39 HydrophobicContact CB-CG1 3.53Å; K26-V39 WeakPolarHBondContact CE-O 3.43Å; K26-V39 PolarHBondContact NZ-O 2.97Å; V32-V39 HydrophobicContact CB-CG2 4.3Å; V32-V39 HydrophobicContact CG1-CG2 4.32Å; V32-V39 HydrophobicContact CG2-CG2 4.02Å; H35-V39 HydrophobicContact CB-CG2 4.39Å; H35-V39 WeakPolarHBondContact O-CG2 3.25Å; H35-V39 PolarHBondContact O-N 3.18Å; V39-Y174 HydrophobicContact CG1-CD1 4.22Å; V39-Y174 HydrophobicContact CG1-CD2 3.9Å; V39-Y174 HydrophobicContact CG1-CE1 4.01Å; V39-Y174 HydrophobicContact CG1-CE2 3.57Å; V39-Y174 HydrophobicContact CG1-CG 4.21Å
40G77.9Confident83.1Confident1 Ų155.5 Ų55.51%0.0127%0.266CS..  trans76.2169.2-174.300000113.4V32 E36V32-G40 VanDerWaalsContact CG1-O 3.24Å; V32-G40 WeakPolarHBondContact CG1-O 3.15Å; E36-G40 WeakPolarHBondContact O-CA 3.33Å; E36-G40 PolarHBondContact O-N 3.28Å
41R79.7Confident83.9Confident213 Ų21355.9 Ų55.980%0.80427%0.268SS*.SBendtrans-91-15.8-169.1-65.9-177.7179.9162.90.6116.1E36E36-R41 HydrophobicContact CB-CG 3.78Å; E36-R41 HydrophobicContact CG-CG 3.84Å
42R77.2Confident84.4Confident186 Ų18655.4 Ų55.470%0.70226%0.264SS*.  trans-114.6132.9-170.6-175.8-179.5175.7179.50.5111K26K26-R42 WeakPolarHBondContact CE-O 3.44Å; K26-R42 PolarHBondContact NZ-O 2.72Å
43T83.7Confident85Confident6 Ų655 Ų554%0.03726%0.262CS..  trans-118119.7169.4-50.60000108.2K26 F45 R46 T64K26-T43 HydrophobicContact CB-CG2 4.15Å; K26-T43 HydrophobicContact CD-CG2 4.1Å; K26-T43 WeakPolarHBondContact CD-OG1 3.3Å; T43-F45 WeakPolarHBondContact CG2-O 3.34Å; T43-R46 HydrophobicContact CG2-CB 4.01Å; T43-T64 VanDerWaalsContact CB-OG1 3.3Å; T43-T64 WeakPolarHBondContact CB-OG1 3.44Å; T43-T64 HydrophobicContact CG2-CG2 4.05Å; T43-T64 PolarHBondContact O-OG1 3.49Å
44T84.3Confident85.3Confident62 Ų6251.5 Ų51.538%0.3824%0.243SC..SBendtrans-90.4-48.8175.9-57.90000110.3T65T44-T65 PolarHBondContact O-N 3.37Å
45F89.2Confident85.4Confident82 Ų8251.4 Ų51.436%0.3623%0.232SC..EExtended strand (participates in β ladder)trans-122.4134.4176.4-58.9-66.1000109.9T43 L47 T65 I67 I152T43-F45 WeakPolarHBondContact CG2-O 3.34Å; F45-L47 HydrophobicContact CB-CD1 4.47Å; F45-T65 VanDerWaalsContact CA-O 3.29Å; F45-T65 WeakPolarHBondContact CA-O 3.5Å; F45-T65 HydrophobicContact CD1-CG2 4.09Å; F45-T65 HydrophobicContact CE1-CG2 4.22Å; F45-I67 HydrophobicContact CB-CD1 4.18Å; F45-I67 HydrophobicContact CD1-CD1 3.77Å; F45-I67 HydrophobicContact CD1-CG1 4.46Å; F45-I67 HydrophobicContact CG-CD1 4.2Å; F45-I152 HydrophobicContact CD2-CD1 4.32Å; F45-I152 HydrophobicContact CE2-CD1 3.86Å; F45-I152 HydrophobicContact CZ-CD1 4.29Å
46R90.7Very high85.9Confident10 Ų1053.2 Ų53.24%0.03824%0.244CC..EExtended strand (participates in β ladder)trans-126.4106.7171169.7173.2-67.6-103.40.5108.4K26 N28 G30 T43 T64 T65 V66 I67 Y103K26-R46 VanDerWaalsContact O-CG 3.26Å; K26-R46 WeakPolarHBondContact O-CG 3.45Å; K26-R46 PolarHBondContact O-NE 2.93Å; K26-R46 PolarHBondContact O-NH1 3.24Å; K26-R46 PolarHBondContact O-NH2 2.93Å; N28-R46 PolarHBondContact O-NH1 3.49Å; G30-R46 PolarHBondContact O-NH1 3.24Å; G30-R46 PolarHBondContact O-NH2 3.26Å; T43-R46 HydrophobicContact CG2-CB 4.01Å; R46-T64 HydrophobicContact CB-CG2 3.7Å; R46-T65 PolarHBondContact N-O 3.4Å; R46-V66 HydrophobicContact CB-CG1 4.3Å; R46-V66 CarbonylContact O-C 3.58Å; R46-V66 VanDerWaalsContact O-CA 3.32Å; R46-V66 WeakPolarHBondContact O-CA 3.44Å; R46-I67 PolarHBondContact O-N 3.01Å; R46-Y103 WeakPolarHBondContact CD-OH 3.42Å
47L93.5Very high86.4Confident2 Ų254.8 Ų54.81%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-81.2144.1172.5-64.553.4000109M27 N28 F45 I67 L111 T141 I144 A145 L148M27-L47 HydrophobicContact CE-CB 3.5Å; M27-L47 HydrophobicContact CE-CD1 3.91Å; M27-L47 HydrophobicContact CE-CD2 3.75Å; M27-L47 HydrophobicContact CE-CG 3.89Å; N28-L47 PolarHBondContact N-O 3.3Å; F45-L47 HydrophobicContact CB-CD1 4.47Å; L47-I67 VanDerWaalsContact CA-O 3.24Å; L47-I67 WeakPolarHBondContact CA-O 3.36Å; L47-I67 HydrophobicContact CD1-CB 4.1Å; L47-I67 HydrophobicContact CD1-CD1 3.96Å; L47-I67 HydrophobicContact CD1-CG1 4.4Å; L47-I67 HydrophobicContact CG-CB 3.92Å; L47-I67 HydrophobicContact CG-CG2 4.19Å; L47-L111 HydrophobicContact CD2-CD2 4.4Å; L47-T141 HydrophobicContact CB-CG2 4.04Å; L47-I144 HydrophobicContact CD2-CG2 3.89Å; L47-A145 HydrophobicContact CD2-CB 4.49Å; L47-L148 HydrophobicContact CD1-CD2 4.08Å; L47-L148 HydrophobicContact CD2-CD2 4.42Å
48F94.1Very high87.1Confident0 Ų051.8 Ų51.80%025%0.247CC..EExtended strand (participates in β ladder)trans-152.1169.9-179.871.1-87.3000110.4V53 V66 I67 L68 T69 W78F48-V53 HydrophobicContact CB-CB 4.23Å; F48-V53 HydrophobicContact CB-CG2 4.42Å; F48-V53 HydrophobicContact CD1-CG2 4.38Å; F48-V53 HydrophobicContact CD2-CB 3.47Å; F48-V53 VanDerWaalsContact CD2-CB 3.47Å; F48-V53 HydrophobicContact CD2-CG1 4.39Å; F48-V53 HydrophobicContact CD2-CG2 3.67Å; F48-V53 HydrophobicContact CE2-CB 3.99Å; F48-V53 HydrophobicContact CE2-CG2 3.91Å; F48-V53 HydrophobicContact CG-CB 3.97Å; F48-V53 HydrophobicContact CG-CG2 3.89Å; F48-V53 HydrophobicContact CZ-CG2 4.39Å; F48-V66 HydrophobicContact CD1-CB 3.93Å; F48-V66 HydrophobicContact CE1-CB 3.58Å; F48-V66 HydrophobicContact CE1-CG2 3.75Å; F48-V66 HydrophobicContact CZ-CG2 4.46Å; F48-I67 PolarHBondContact N-O 3Å; F48-L68 HydrophobicContact CD2-CD1 4.22Å; F48-L68 HydrophobicContact CE1-CB 4.4Å; F48-L68 HydrophobicContact CE2-CB 4.32Å; F48-L68 HydrophobicContact CE2-CD1 3.77Å; F48-L68 HydrophobicContact CZ-CB 3.98Å; F48-L68 HydrophobicContact CZ-CD1 4.29Å; F48-T69 PolarHBondContact O-N 2.85Å; F48-W78 AromaticContact CE2-CH2 3.95Å; F48-W78 HydrophobicContact CE2-CH2 3.95Å; F48-W78 HydrophobicContact CE2-CZ3 4.02Å
49Y94.3Very high88.1Confident46 Ų4649.7 Ų49.718%0.1824%0.238CC..  trans-133168.6167.160.4-90.3000109.3N28 E51 S52 V53 F71 W94N28-Y49 WeakPolarHBondContact OD1-CD1 3.5Å; N28-Y49 WeakPolarHBondContact OD1-CE1 3.03Å; Y49-E51 VanDerWaalsContact C-N 3.31Å; Y49-E51 HydrophobicContact CD2-CB 4.19Å; Y49-E51 WeakPolarHBondContact CD2-OE2 3.26Å; Y49-E51 HydrophobicContact CE2-CB 3.9Å; Y49-E51 PolarHBondContact O-N 2.94Å; Y49-E51 VanDerWaalsContact O-N 3.14Å; Y49-S52 VanDerWaalsContact CD1-OG 3.31Å; Y49-S52 WeakPolarHBondContact CD1-OG 3.34Å; Y49-S52 VanDerWaalsContact CE1-CB 3.43Å; Y49-S52 WeakPolarHBondContact CE1-OG 3.31Å; Y49-S52 VanDerWaalsContact CZ-CB 3.41Å; Y49-S52 PolarHBondContact N-OG 3.38Å; Y49-S52 PolarHBondContact O-N 3.46Å; Y49-S52 PolarHBondContact O-OG 3.06Å; Y49-S52 VanDerWaalsContact O-OG 3.14Å; Y49-V53 PolarHBondContact O-N 3.03Å; Y49-F71 HydrophobicContact CD1-CE2 4.01Å; Y49-F71 HydrophobicContact CG-CD2 4.45Å; Y49-F71 HydrophobicContact CG-CE2 4.08Å; Y49-W94 AromaticContact CE2-CZ2 3.82Å; Y49-W94 HydrophobicContact CE2-CZ2 3.82Å; Y49-W94 AromaticContact CE2-NE1 3.85Å; Y49-W94 WeakPolarHBondContact OH-CZ2 3.47Å
50P95.2Very high88.8Confident0 Ų053.2 Ų53.20%026%0.256CS..THydrogen-bonded Turntrans-54.1-39.8-166.6-30.738.2000115.4S52 L68 D75 W78 F93 P97 A98P50-S52 VanDerWaalsContact C-N 3.29Å; P50-S52 PolarHBondContact O-N 3.1Å; P50-L68 HydrophobicContact CG-CD1 4.45Å; P50-D75 HydrophobicContact CG-CB 3.77Å; P50-W78 HydrophobicContact CB-CD2 3.65Å; P50-W78 HydrophobicContact CB-CE3 3.86Å; P50-W78 HydrophobicContact CB-CG 4.04Å; P50-W78 HydrophobicContact CB-CH2 4.4Å; P50-W78 HydrophobicContact CB-CZ2 4.22Å; P50-W78 HydrophobicContact CB-CZ3 4.24Å; P50-W78 HydrophobicContact CG-CD2 3.82Å; P50-W78 HydrophobicContact CG-CE3 3.58Å; P50-W78 HydrophobicContact CG-CG 4.26Å; P50-W78 HydrophobicContact CG-CZ3 4.05Å; P50-F93 HydrophobicContact CB-CD1 4.23Å; P50-F93 HydrophobicContact CB-CE1 3.73Å; P50-F93 HydrophobicContact CB-CZ 4.35Å; P50-F93 HydrophobicContact CG-CE1 3.91Å; P50-P97 HydrophobicContact CB-CB 3.8Å; P50-P97 WeakPolarHBondContact O-CA 3.46Å; P50-P97 WeakPolarHBondContact O-CB 3.23Å; P50-A98 PolarHBondContact O-N 2.98Å
51E92.9Very high89.4Confident9 Ų954.9 Ų54.94%0.04227%0.265CS..THydrogen-bonded Turntrans-79.8-5.6179.7-56.996.4138.500114.9Y49 K72 F93 W94 K95Y49-E51 VanDerWaalsContact C-N 3.31Å; Y49-E51 HydrophobicContact CD2-CB 4.19Å; Y49-E51 WeakPolarHBondContact CD2-OE2 3.26Å; Y49-E51 HydrophobicContact CE2-CB 3.9Å; Y49-E51 PolarHBondContact O-N 2.94Å; Y49-E51 VanDerWaalsContact O-N 3.14Å; E51-K72 IonicContact OE1-NZ 2.94Å; E51-F93 VanDerWaalsContact CD-CD1 3.44Å; E51-F93 HydrophobicContact CG-CB 4Å; E51-F93 HydrophobicContact CG-CD1 4.2Å; E51-F93 HydrophobicContact CG-CG 4.45Å; E51-F93 WeakPolarHBondContact OE1-CA 3.01Å; E51-F93 WeakPolarHBondContact OE1-CB 3.16Å; E51-F93 VanDerWaalsContact OE1-CD1 3.25Å; E51-F93 WeakPolarHBondContact OE1-CD1 3.45Å; E51-W94 HydrophobicContact CB-CZ2 3.98Å; E51-W94 PolarHBondContact OE1-N 3.38Å; E51-W94 PolarHBondContact OE1-NE1 2.79Å; E51-K95 HydrophobicContact CB-CB 4.07Å; E51-K95 HydrophobicContact CB-CD 4.38Å; E51-K95 HydrophobicContact CB-CG 4.42Å; E51-K95 HydrophobicContact CG-CB 4.05Å; E51-K95 WeakPolarHBondContact CG-O 3.28Å; E51-K95 PolarHBondContact O-NZ 2.88Å
52S91.2Very high89.9Confident4 Ų448.2 Ų48.23%0.02825%0.249CC..THydrogen-bonded Turntrans-118-16.9-169.891.50000114.7N28 N29 Y49 P50N28-S52 CarbonylContact C-O 3.55Å; N28-S52 WeakPolarHBondContact CA-O 3.43Å; N28-S52 WeakPolarHBondContact CB-OG 3.35Å; N28-S52 VanDerWaalsContact OD1-CB 3.3Å; N28-S52 WeakPolarHBondContact OD1-CB 3.45Å; N28-S52 PolarHBondContact OD1-OG 3.09Å; N29-S52 WeakPolarHBondContact CB-O 3.42Å; N29-S52 PolarHBondContact N-O 2.89Å; Y49-S52 VanDerWaalsContact CD1-OG 3.31Å; Y49-S52 WeakPolarHBondContact CD1-OG 3.34Å; Y49-S52 VanDerWaalsContact CE1-CB 3.43Å; Y49-S52 WeakPolarHBondContact CE1-OG 3.31Å; Y49-S52 VanDerWaalsContact CZ-CB 3.41Å; Y49-S52 PolarHBondContact N-OG 3.38Å; Y49-S52 PolarHBondContact O-N 3.46Å; Y49-S52 PolarHBondContact O-OG 3.06Å; Y49-S52 VanDerWaalsContact O-OG 3.14Å; P50-S52 VanDerWaalsContact C-N 3.29Å; P50-S52 PolarHBondContact O-N 3.1Å
53V92.1Very high90.4Very high12 Ų1246.1 Ų46.17%0.07325%0.252CS..SBendtrans-66144.3179.371.80000112.3F48 Y49 S55 W78 A98 L101 Y103F48-V53 HydrophobicContact CB-CB 4.23Å; F48-V53 HydrophobicContact CB-CG2 4.42Å; F48-V53 HydrophobicContact CD1-CG2 4.38Å; F48-V53 HydrophobicContact CD2-CB 3.47Å; F48-V53 VanDerWaalsContact CD2-CB 3.47Å; F48-V53 HydrophobicContact CD2-CG1 4.39Å; F48-V53 HydrophobicContact CD2-CG2 3.67Å; F48-V53 HydrophobicContact CE2-CB 3.99Å; F48-V53 HydrophobicContact CE2-CG2 3.91Å; F48-V53 HydrophobicContact CG-CB 3.97Å; F48-V53 HydrophobicContact CG-CG2 3.89Å; F48-V53 HydrophobicContact CZ-CG2 4.39Å; Y49-V53 PolarHBondContact O-N 3.03Å; V53-S55 PolarHBondContact O-N 3.42Å; V53-W78 HydrophobicContact CG1-CH2 4.15Å; V53-W78 HydrophobicContact CG1-CZ2 4.23Å; V53-A98 HydrophobicContact CG1-CB 3.4Å; V53-A98 VanDerWaalsContact CG1-CB 3.4Å; V53-L101 HydrophobicContact CG1-CD2 4.08Å; V53-L101 HydrophobicContact CG2-CD2 3.88Å; V53-Y103 HydrophobicContact CG2-CD2 4.26Å; V53-Y103 HydrophobicContact CG2-CE2 3.84Å
54F89.1Confident90.6Very high16 Ų1645.9 Ų45.97%0.0725%0.251CS..  trans-64.1132170-77-55.6000111.8N29 G30 P31 H59 I102N29-F54 HydrophobicContact CB-CD1 3.93Å; N29-F54 HydrophobicContact CB-CE1 3.68Å; N29-F54 HydrophobicContact CB-CZ 4.2Å; N29-F54 WeakPolarHBondContact O-CE1 3.23Å; N29-F54 WeakPolarHBondContact O-CZ 3.44Å; G30-F54 WeakPolarHBondContact O-CE2 3.38Å; P31-F54 HydrophobicContact CB-CZ 4.15Å; F54-H59 HydrophobicContact CB-CB 4.05Å; F54-H59 HydrophobicContact CD1-CB 4.02Å; F54-H59 AromaticContact CD1-CD2 3.34Å; F54-H59 WeakPolarHBondContact CD1-CD2 3.33Å; F54-H59 AromaticContact CD1-CG 3.78Å; F54-H59 HydrophobicContact CD2-CB 3.57Å; F54-H59 HydrophobicContact CE1-CB 4.3Å; F54-H59 AromaticContact CE1-CD2 3.34Å; F54-H59 WeakPolarHBondContact CE1-CD2 3.47Å; F54-H59 AromaticContact CE1-CG 3.71Å; F54-H59 AromaticContact CE1-NE2 3.63Å; F54-H59 HydrophobicContact CE2-CB 3.83Å; F54-H59 AromaticContact CE2-CG 3.91Å; F54-H59 HydrophobicContact CG-CB 3.65Å; F54-H59 AromaticContact CG-CD2 3.92Å; F54-H59 AromaticContact CG-CG 3.96Å; F54-H59 HydrophobicContact CZ-CB 4.2Å; F54-H59 AromaticContact CZ-CD2 3.88Å; F54-H59 AromaticContact CZ-CG 3.77Å; F54-H59 AromaticContact CZ-ND1 3.97Å; F54-I102 HydrophobicContact CB-CD1 3.63Å
55S87Confident90.9Very high59 Ų5944.8 Ų44.841%0.41324%0.244SC..  trans-108.5-15.3172.658.60000113.3V53 N100 I102V53-S55 PolarHBondContact O-N 3.42Å; S55-N100 PolarHBondContact O-ND2 3.4Å; S55-I102 WeakPolarHBondContact O-CG2 3.34Å
56D90.1Very high91Very high87 Ų8740.9 Ų40.947%0.46523%0.227SC..SBendtrans-82.9121.9178.1-169-34.2000110.5I58 H59D56-I58 HydrophobicContact CB-CG2 4.21Å; D56-I58 PolarHBondContact O-N 3.08Å; D56-I58 VanDerWaalsContact O-N 3.1Å; D56-I58 WeakPolarHBondContact OD1-CB 3.44Å; D56-I58 WeakPolarHBondContact OD1-CG2 3.35Å; D56-I58 PolarHBondContact OD1-N 2.85Å; D56-H59 PolarHBondContact O-N 2.96Å; D56-H59 VanDerWaalsContact O-N 3.15Å
57P91.3Very high91.2Very high93 Ų9341 Ų4160%0.60423%0.228SC*.G310 helixtrans-56.5-21178.8-26.235.6000115.5H59 N60 I102P57-H59 PolarHBondContact O-N 3.36Å; P57-N60 WeakPolarHBondContact O-CB 3.34Å; P57-N60 PolarHBondContact O-N 2.96Å; P57-I102 HydrophobicContact CG-CG2 4.47Å
58I91.2Very high91.3Very high105 Ų10541 Ų4154%0.53823%0.228SC..G310 helixtrans-60.9-24.7177.3-159176000112.6L33 D56L33-I58 HydrophobicContact CD2-CD1 3.8Å; L33-I58 HydrophobicContact CD2-CG1 3.67Å; D56-I58 HydrophobicContact CB-CG2 4.21Å; D56-I58 PolarHBondContact O-N 3.08Å; D56-I58 VanDerWaalsContact O-N 3.1Å; D56-I58 WeakPolarHBondContact OD1-CB 3.44Å; D56-I58 WeakPolarHBondContact OD1-CG2 3.35Å; D56-I58 PolarHBondContact OD1-N 2.85Å
59H90.3Very high91.4Very high51 Ų5141 Ų4124%0.23623%0.228CC..G310 helixtrans-94.49.3177.9-60.1-58.2000113.4F54 D56 P57 D61 I102F54-H59 HydrophobicContact CB-CB 4.05Å; F54-H59 HydrophobicContact CD1-CB 4.02Å; F54-H59 AromaticContact CD1-CD2 3.34Å; F54-H59 WeakPolarHBondContact CD1-CD2 3.33Å; F54-H59 AromaticContact CD1-CG 3.78Å; F54-H59 HydrophobicContact CD2-CB 3.57Å; F54-H59 HydrophobicContact CE1-CB 4.3Å; F54-H59 AromaticContact CE1-CD2 3.34Å; F54-H59 WeakPolarHBondContact CE1-CD2 3.47Å; F54-H59 AromaticContact CE1-CG 3.71Å; F54-H59 AromaticContact CE1-NE2 3.63Å; F54-H59 HydrophobicContact CE2-CB 3.83Å; F54-H59 AromaticContact CE2-CG 3.91Å; F54-H59 HydrophobicContact CG-CB 3.65Å; F54-H59 AromaticContact CG-CD2 3.92Å; F54-H59 AromaticContact CG-CG 3.96Å; F54-H59 HydrophobicContact CZ-CB 4.2Å; F54-H59 AromaticContact CZ-CD2 3.88Å; F54-H59 AromaticContact CZ-CG 3.77Å; F54-H59 AromaticContact CZ-ND1 3.97Å; D56-H59 PolarHBondContact O-N 2.96Å; D56-H59 VanDerWaalsContact O-N 3.15Å; P57-H59 PolarHBondContact O-N 3.36Å; H59-D61 PolarHBondContact O-N 3.4Å; H59-I102 HydrophobicContact CB-CD1 4.22Å
60N90.5Very high91.4Very high74 Ų7439.7 Ų39.740%0.39623%0.227SC..  trans-63.9127.9177.9178.938000110.3P57 I102P57-N60 WeakPolarHBondContact O-CB 3.34Å; P57-N60 PolarHBondContact O-N 2.96Å; N60-I102 HydrophobicContact CB-CB 4.45Å; N60-I102 HydrophobicContact CB-CD1 4.37Å; N60-I102 PolarHBondContact OD1-O 3.45Å
61D89.1Confident91.3Very high36 Ų3643.5 Ų43.519%0.19324%0.244CC..  trans-123.4105171.4-176.8-11000108.5H59 N63 T64 Q107H59-D61 PolarHBondContact O-N 3.4Å; D61-N63 PolarHBondContact O-N 3Å; D61-N63 PolarHBondContact OD1-N 3.04Å; D61-T64 WeakPolarHBondContact CB-OG1 3.32Å; D61-T64 PolarHBondContact O-N 3.26Å; D61-T64 PolarHBondContact OD1-N 2.93Å; D61-T64 PolarHBondContact OD2-OG1 3Å; D61-Q107 PolarHBondContact O-NE2 3.22Å
62P90.1Very high91.3Very high72 Ų7246.2 Ų46.247%0.46826%0.255SS..THydrogen-bonded Turntrans-69.5-16.2-177.328.7-34.9000113.6Q107P62-Q107 PolarHBondContact O-NE2 3.25Å
63N87.7Confident91.6Very high142 Ų14251.4 Ų51.476%0.75929%0.289SS*.THydrogen-bonded Turntrans-96.7-7.1-179.4-62.6-50.8000112.9D61D61-N63 PolarHBondContact O-N 3Å; D61-N63 PolarHBondContact OD1-N 3.04Å
64T89Confident91.8Very high2 Ų252.3 Ų52.31%0.01229%0.292CS..PPolyproline II helixtrans-79.5136.8176.5-740000110.9T43 R46 D61 V66 Q107T43-T64 VanDerWaalsContact CB-OG1 3.3Å; T43-T64 WeakPolarHBondContact CB-OG1 3.44Å; T43-T64 HydrophobicContact CG2-CG2 4.05Å; T43-T64 PolarHBondContact O-OG1 3.49Å; R46-T64 HydrophobicContact CB-CG2 3.7Å; D61-T64 WeakPolarHBondContact CB-OG1 3.32Å; D61-T64 PolarHBondContact O-N 3.26Å; D61-T64 PolarHBondContact OD1-N 2.93Å; D61-T64 PolarHBondContact OD2-OG1 3Å; T64-V66 HydrophobicContact CG2-CG1 3.7Å; T64-Q107 PolarHBondContact O-NE2 3.42Å
65T89.5Confident92.1Very high39 Ų3951.7 Ų51.724%0.23929%0.29CS..EExtended strand (participates in β ladder)trans-88.7119.6158.7-62.90000108.8T44 F45 R46 I67 Q107 R109T44-T65 PolarHBondContact O-N 3.37Å; F45-T65 VanDerWaalsContact CA-O 3.29Å; F45-T65 WeakPolarHBondContact CA-O 3.5Å; F45-T65 HydrophobicContact CD1-CG2 4.09Å; F45-T65 HydrophobicContact CE1-CG2 4.22Å; R46-T65 PolarHBondContact N-O 3.4Å; T65-I67 HydrophobicContact CG2-CG1 4.32Å; T65-Q107 CarbonylContact C-O 3.56Å; T65-Q107 WeakPolarHBondContact CA-O 3.5Å; T65-R109 HydrophobicContact CG2-CG 3.82Å
66V92.8Very high92.6Very high0 Ų052.6 Ų52.60%029%0.289CS..EExtended strand (participates in β ladder)trans-97132.6179-59.90000110.2R46 F48 T64 Y103 Q107 I108 R109R46-V66 HydrophobicContact CB-CG1 4.3Å; R46-V66 CarbonylContact O-C 3.58Å; R46-V66 VanDerWaalsContact O-CA 3.32Å; R46-V66 WeakPolarHBondContact O-CA 3.44Å; F48-V66 HydrophobicContact CD1-CB 3.93Å; F48-V66 HydrophobicContact CE1-CB 3.58Å; F48-V66 HydrophobicContact CE1-CG2 3.75Å; F48-V66 HydrophobicContact CZ-CG2 4.46Å; T64-V66 HydrophobicContact CG2-CG1 3.7Å; V66-Y103 HydrophobicContact CB-CD2 4.27Å; V66-Y103 HydrophobicContact CB-CE2 4.47Å; V66-Y103 HydrophobicContact CB-CG 4.37Å; V66-Y103 HydrophobicContact CG1-CD1 3.58Å; V66-Y103 HydrophobicContact CG1-CD2 3.74Å; V66-Y103 HydrophobicContact CG1-CE1 3.52Å; V66-Y103 HydrophobicContact CG1-CE2 3.69Å; V66-Y103 HydrophobicContact CG1-CG 3.69Å; V66-Y103 HydrophobicContact CG2-CD1 4.43Å; V66-Y103 HydrophobicContact CG2-CD2 3.91Å; V66-Y103 HydrophobicContact CG2-CG 3.82Å; V66-Q107 HydrophobicContact CG2-CB 4.49Å; V66-Q107 PolarHBondContact N-O 3.28Å; V66-I108 HydrophobicContact CG2-CB 4.32Å; V66-I108 HydrophobicContact CG2-CG1 3.74Å; V66-I108 CarbonylContact O-C 3.56Å; V66-I108 WeakPolarHBondContact O-CA 3.49Å; V66-R109 PolarHBondContact O-N 3.16Å
67I94.4Very high93Very high13 Ų1355.1 Ų55.17%0.06729%0.292CS..EExtended strand (participates in β ladder)trans-117.6110.4-171.7-55.2-178.4000109F45 R46 L47 F48 T65 T69 R109 L111 L148F45-I67 HydrophobicContact CB-CD1 4.18Å; F45-I67 HydrophobicContact CD1-CD1 3.77Å; F45-I67 HydrophobicContact CD1-CG1 4.46Å; F45-I67 HydrophobicContact CG-CD1 4.2Å; R46-I67 PolarHBondContact O-N 3.01Å; L47-I67 VanDerWaalsContact CA-O 3.24Å; L47-I67 WeakPolarHBondContact CA-O 3.36Å; L47-I67 HydrophobicContact CD1-CB 4.1Å; L47-I67 HydrophobicContact CD1-CD1 3.96Å; L47-I67 HydrophobicContact CD1-CG1 4.4Å; L47-I67 HydrophobicContact CG-CB 3.92Å; L47-I67 HydrophobicContact CG-CG2 4.19Å; F48-I67 PolarHBondContact N-O 3Å; T65-I67 HydrophobicContact CG2-CG1 4.32Å; I67-T69 PolarHBondContact O-N 3.5Å; I67-R109 CarbonylContact C-O 3.54Å; I67-R109 WeakPolarHBondContact CA-O 3.33Å; I67-R109 HydrophobicContact CG1-CB 4.38Å; I67-L111 HydrophobicContact CG2-CB 3.75Å; I67-L111 HydrophobicContact CG2-CD1 4.03Å; I67-L111 HydrophobicContact CG2-CG 4.47Å; I67-L148 HydrophobicContact CD1-CD2 3.77Å
68L95.4Very high93.3Very high0 Ų050.7 Ų50.70%026%0.264CS..EExtended strand (participates in β ladder)trans-69.6118.7173.8175.764.3000109.8F48 P50 L76 W78 L79 R109 L111F48-L68 HydrophobicContact CD2-CD1 4.22Å; F48-L68 HydrophobicContact CE1-CB 4.4Å; F48-L68 HydrophobicContact CE2-CB 4.32Å; F48-L68 HydrophobicContact CE2-CD1 3.77Å; F48-L68 HydrophobicContact CZ-CB 3.98Å; F48-L68 HydrophobicContact CZ-CD1 4.29Å; P50-L68 HydrophobicContact CG-CD1 4.45Å; L68-L76 HydrophobicContact CD2-CD2 4.28Å; L68-W78 HydrophobicContact CD1-CZ3 4.15Å; L68-L79 HydrophobicContact CD2-CB 3.86Å; L68-L79 HydrophobicContact CD2-CD2 3.61Å; L68-L79 HydrophobicContact CD2-CG 4.28Å; L68-R109 PolarHBondContact N-O 2.8Å; L68-L111 WeakPolarHBondContact O-CB 2.92Å; L68-L111 PolarHBondContact O-N 3.31Å
69T95.3Very high93.5Very high0 Ų046.1 Ų46.10%024%0.24CC..  trans-95.595.2170.9-54.80000108.1F48 I67 F71 L111 I116 I144F48-T69 PolarHBondContact O-N 2.85Å; I67-T69 PolarHBondContact O-N 3.5Å; T69-F71 HydrophobicContact CG2-CE1 3.95Å; T69-F71 HydrophobicContact CG2-CE2 3.76Å; T69-F71 HydrophobicContact CG2-CZ 3.45Å; T69-F71 VanDerWaalsContact CG2-CZ 3.45Å; T69-F71 WeakPolarHBondContact O-CD2 3.39Å; T69-L111 HydrophobicContact CG2-CD2 4.04Å; T69-I116 HydrophobicContact CG2-CD1 3.64Å; T69-I116 HydrophobicContact CG2-CG1 4.15Å; T69-I144 HydrophobicContact CG2-CD1 3.94Å; T69-I144 HydrophobicContact CG2-CG2 4.3Å
70A95.5Very high93.8Very high20 Ų2048.8 Ų48.817%0.16526%0.256CS..  trans-84.6119.3-177.900000111D75 L76A70-D75 HydrophobicContact CB-CB 4.06Å; A70-L76 HydrophobicContact CB-CD2 3.77Å; A70-L76 HydrophobicContact CB-CG 3.95Å
71F93.1Very high94.1Very high79 Ų7946.7 Ų46.735%0.34624%0.244SC..SBendtrans-98.4-19.1178.9-64.1-75.6000112.7Y49 T69 D75 I116 I144Y49-F71 HydrophobicContact CD1-CE2 4.01Å; Y49-F71 HydrophobicContact CG-CD2 4.45Å; Y49-F71 HydrophobicContact CG-CE2 4.08Å; T69-F71 HydrophobicContact CG2-CE1 3.95Å; T69-F71 HydrophobicContact CG2-CE2 3.76Å; T69-F71 HydrophobicContact CG2-CZ 3.45Å; T69-F71 VanDerWaalsContact CG2-CZ 3.45Å; T69-F71 WeakPolarHBondContact O-CD2 3.39Å; F71-D75 PolarHBondContact N-OD2 3.01Å; F71-I116 HydrophobicContact CE1-CD1 4.47Å; F71-I116 HydrophobicContact CE1-CG2 4.41Å; F71-I144 HydrophobicContact CE1-CD1 3.76Å; F71-I144 HydrophobicContact CZ-CD1 3.82Å
72K93.5Very high94.3Very high66 Ų6646.3 Ų46.329%0.28724%0.241SC..SBendtrans-144.7155.8177.455-172.9173.4-163.20111E51 H74 D75 G92E51-K72 IonicContact OE1-NZ 2.94Å; K72-H74 HydrophobicContact CD-CB 4.23Å; K72-H74 HydrophobicContact CG-CB 4.15Å; K72-H74 PolarHBondContact O-N 2.6Å; K72-D75 WeakPolarHBondContact CE-OD1 3.25Å; K72-D75 VanDerWaalsContact CG-CG 3.48Å; K72-D75 VanDerWaalsContact CG-OD1 3.23Å; K72-D75 WeakPolarHBondContact CG-OD1 3.14Å; K72-D75 WeakPolarHBondContact CG-OD2 3.46Å; K72-D75 PolarHBondContact N-OD2 3.15Å; K72-D75 WeakPolarHBondContact O-CB 3.36Å; K72-D75 PolarHBondContact O-N 3.2Å; K72-G92 PolarHBondContact NZ-O 3.2Å
73P95.9Very high94.5Very high113 Ų11346.8 Ų46.873%0.73424%0.24SC*.Hα-helixtrans-54.9-28.4177.1-27.435.4000114D75 L76 R77P73-D75 PolarHBondContact O-N 3.05Å; P73-L76 PolarHBondContact O-N 3.4Å; P73-R77 PolarHBondContact O-N 2.97Å
74H96.6Very high94.8Very high31 Ų3146 Ų4614%0.14423%0.233CC..Hα-helixtrans-64.1-26.7177-16155.4000113.2K72 R77 W78 N89 N91 F93K72-H74 HydrophobicContact CD-CB 4.23Å; K72-H74 HydrophobicContact CG-CB 4.15Å; K72-H74 PolarHBondContact O-N 2.6Å; H74-R77 PolarHBondContact O-N 2.85Å; H74-W78 WeakPolarHBondContact O-CB 3.41Å; H74-W78 PolarHBondContact O-N 3.1Å; H74-N89 PolarHBondContact CE1-O 2.95Å; H74-N89 PolarHBondContact NE2-O 3.45Å; H74-N91 PolarHBondContact NE2-O 3.1Å; H74-N91 VanDerWaalsContact NE2-O 3.14Å; H74-F93 AromaticContact CD2-CD2 3.84Å; H74-F93 AromaticContact CD2-CE1 3.77Å; H74-F93 AromaticContact CD2-CE2 3.2Å; H74-F93 WeakPolarHBondContact CD2-CE2 3.36Å; H74-F93 AromaticContact CD2-CZ 3.14Å; H74-F93 WeakPolarHBondContact CD2-CZ 3.18Å; H74-F93 AromaticContact NE2-CD2 3.79Å; H74-F93 AromaticContact NE2-CE2 3.08Å; H74-F93 WeakPolarHBondContact NE2-CE2 3.06Å; H74-F93 AromaticContact NE2-CZ 3.49Å; H74-F93 WeakPolarHBondContact NE2-CZ 3.06Å
75D96.8Very high94.9Very high3 Ų349.1 Ų49.12%0.01627%0.265CS..Hα-helixtrans-70.3-37177.7-55.3-22.9000111.3P50 A70 F71 K72 P73 W78 L79 F93P50-D75 HydrophobicContact CG-CB 3.77Å; A70-D75 HydrophobicContact CB-CB 4.06Å; F71-D75 PolarHBondContact N-OD2 3.01Å; K72-D75 WeakPolarHBondContact CE-OD1 3.25Å; K72-D75 VanDerWaalsContact CG-CG 3.48Å; K72-D75 VanDerWaalsContact CG-OD1 3.23Å; K72-D75 WeakPolarHBondContact CG-OD1 3.14Å; K72-D75 WeakPolarHBondContact CG-OD2 3.46Å; K72-D75 PolarHBondContact N-OD2 3.15Å; K72-D75 WeakPolarHBondContact O-CB 3.36Å; K72-D75 PolarHBondContact O-N 3.2Å; P73-D75 PolarHBondContact O-N 3.05Å; D75-W78 PolarHBondContact O-N 3.07Å; D75-L79 PolarHBondContact O-N 3.11Å; D75-L79 VanDerWaalsContact O-N 3.16Å; D75-F93 WeakPolarHBondContact OD1-CE1 3.48Å
76L97.4Very high95.1Very high78 Ų7851.9 Ų51.941%0.40828%0.279SS..Hα-helixtrans-70.2-40.1175.2-63.4175.1000111.2L68 A70 P73 W78 L79 L80 I110L68-L76 HydrophobicContact CD2-CD2 4.28Å; A70-L76 HydrophobicContact CB-CD2 3.77Å; A70-L76 HydrophobicContact CB-CG 3.95Å; P73-L76 PolarHBondContact O-N 3.4Å; L76-W78 VanDerWaalsContact C-N 3.32Å; L76-L79 PolarHBondContact O-N 2.96Å; L76-L80 PolarHBondContact O-N 3.26Å; L76-I110 HydrophobicContact CD2-CD1 4.08Å; L76-I110 HydrophobicContact CD2-CG2 3.91Å
77R96.9Very high95.2Very high140 Ų14061.3 Ų61.353%0.52832%0.32SS..Hα-helixtrans-60.3-44.3173.3-178.1179.7-64.1167.1-0.6111.1P73 H74 L79 L80 E81P73-R77 PolarHBondContact O-N 2.97Å; H74-R77 PolarHBondContact O-N 2.85Å; R77-L79 VanDerWaalsContact C-N 3.32Å; R77-L79 PolarHBondContact O-N 3.33Å; R77-L80 WeakPolarHBondContact O-CB 3.1Å; R77-L80 PolarHBondContact O-N 3.35Å; R77-E81 WeakPolarHBondContact CD-OE1 3.09Å; R77-E81 HydrophobicContact CG-CG 4.12Å; R77-E81 VanDerWaalsContact CG-OE1 3.31Å; R77-E81 WeakPolarHBondContact CG-OE1 3.33Å; R77-E81 WeakPolarHBondContact O-CB 2.9Å; R77-E81 WeakPolarHBondContact O-CG 3.44Å; R77-E81 PolarHBondContact O-N 2.9Å
78W97.5Very high95.2Very high0 Ų061.9 Ų61.90%032%0.322CS..Hα-helixtrans-57.1-45176.2162.589.8000112.4F48 P50 V53 L68 H74 D75 L76 L80 E81 L82 F93 A98 L101F48-W78 AromaticContact CE2-CH2 3.95Å; F48-W78 HydrophobicContact CE2-CH2 3.95Å; F48-W78 HydrophobicContact CE2-CZ3 4.02Å; P50-W78 HydrophobicContact CB-CD2 3.65Å; P50-W78 HydrophobicContact CB-CE3 3.86Å; P50-W78 HydrophobicContact CB-CG 4.04Å; P50-W78 HydrophobicContact CB-CH2 4.4Å; P50-W78 HydrophobicContact CB-CZ2 4.22Å; P50-W78 HydrophobicContact CB-CZ3 4.24Å; P50-W78 HydrophobicContact CG-CD2 3.82Å; P50-W78 HydrophobicContact CG-CE3 3.58Å; P50-W78 HydrophobicContact CG-CG 4.26Å; P50-W78 HydrophobicContact CG-CZ3 4.05Å; V53-W78 HydrophobicContact CG1-CH2 4.15Å; V53-W78 HydrophobicContact CG1-CZ2 4.23Å; L68-W78 HydrophobicContact CD1-CZ3 4.15Å; H74-W78 WeakPolarHBondContact O-CB 3.41Å; H74-W78 PolarHBondContact O-N 3.1Å; D75-W78 PolarHBondContact O-N 3.07Å; L76-W78 VanDerWaalsContact C-N 3.32Å; W78-L80 VanDerWaalsContact C-N 3.34Å; W78-L80 PolarHBondContact O-N 3.46Å; W78-E81 PolarHBondContact O-N 2.85Å; W78-L82 HydrophobicContact CH2-CD1 4.23Å; W78-L82 HydrophobicContact CZ2-CD1 3.54Å; W78-L82 VanDerWaalsContact O-CB 3.24Å; W78-L82 WeakPolarHBondContact O-CB 3.31Å; W78-L82 PolarHBondContact O-N 3.41Å; W78-F93 HydrophobicContact CB-CE2 4.44Å; W78-F93 HydrophobicContact CB-CZ 3.69Å; W78-F93 HydrophobicContact CG-CZ 4.1Å; W78-A98 HydrophobicContact CZ2-CB 4.28Å; W78-A98 PolarHBondContact NE1-O 3.48Å; W78-L101 HydrophobicContact CH2-CD2 3.96Å; W78-L101 HydrophobicContact CZ2-CD2 4.38Å
79L96.8Very high95.2Very high9 Ų965.2 Ų65.25%0.04734%0.34CS..Hα-helixtrans-63.5-43.2177.8178.663.7000111L68 D75 L76 R77 L82 L83 L101 I108 I110L68-L79 HydrophobicContact CD2-CB 3.86Å; L68-L79 HydrophobicContact CD2-CD2 3.61Å; L68-L79 HydrophobicContact CD2-CG 4.28Å; D75-L79 PolarHBondContact O-N 3.11Å; D75-L79 VanDerWaalsContact O-N 3.16Å; L76-L79 PolarHBondContact O-N 2.96Å; R77-L79 VanDerWaalsContact C-N 3.32Å; R77-L79 PolarHBondContact O-N 3.33Å; L79-L82 PolarHBondContact O-N 2.99Å; L79-L83 HydrophobicContact CD1-CD1 3.95Å; L79-L83 HydrophobicContact CD1-CG 4.02Å; L79-L83 HydrophobicContact CG-CD1 3.91Å; L79-L83 HydrophobicContact CG-CG 4.35Å; L79-L83 WeakPolarHBondContact O-CB 3.07Å; L79-L83 VanDerWaalsContact O-CG 3.24Å; L79-L83 WeakPolarHBondContact O-CG 3.44Å; L79-L83 PolarHBondContact O-N 3.32Å; L79-L101 HydrophobicContact CD1-CD1 3.98Å; L79-I108 HydrophobicContact CD1-CD1 4.23Å; L79-I108 HydrophobicContact CD1-CG2 4.29Å; L79-I108 HydrophobicContact CD2-CG2 4.06Å; L79-I110 HydrophobicContact CD2-CD1 4.17Å; L79-I110 HydrophobicContact CD2-CG1 4.13Å
80L96Very high95.2Very high108 Ų10867.7 Ų67.757%0.56536%0.356SS*.Hα-helixtrans-60.7-51.9177.3-179.665.7000111.5L76 R77 W78 L82 L83 M84L76-L80 PolarHBondContact O-N 3.26Å; R77-L80 WeakPolarHBondContact O-CB 3.1Å; R77-L80 PolarHBondContact O-N 3.35Å; W78-L80 VanDerWaalsContact C-N 3.34Å; W78-L80 PolarHBondContact O-N 3.46Å; L80-L82 VanDerWaalsContact C-N 3.27Å; L80-L82 PolarHBondContact O-N 3.49Å; L80-L83 PolarHBondContact O-N 3.39Å; L80-M84 HydrophobicContact CD1-CG 4.05Å; L80-M84 HydrophobicContact CG-CG 4.41Å; L80-M84 WeakPolarHBondContact O-CB 2.98Å; L80-M84 VanDerWaalsContact O-CG 3.26Å; L80-M84 WeakPolarHBondContact O-CG 3.23Å; L80-M84 PolarHBondContact O-N 3Å
81E95.8Very high95.1Very high30 Ų3072.6 Ų72.614%0.1438%0.379CS..Hα-helixtrans-57.2-43.2179.1-72.5171.5174.100110.8R77 W78 M84 G85 D86 I88 N89R77-E81 WeakPolarHBondContact CD-OE1 3.09Å; R77-E81 HydrophobicContact CG-CG 4.12Å; R77-E81 VanDerWaalsContact CG-OE1 3.31Å; R77-E81 WeakPolarHBondContact CG-OE1 3.33Å; R77-E81 WeakPolarHBondContact O-CB 2.9Å; R77-E81 WeakPolarHBondContact O-CG 3.44Å; R77-E81 PolarHBondContact O-N 2.9Å; W78-E81 PolarHBondContact O-N 2.85Å; E81-M84 PolarHBondContact O-N 2.96Å; E81-G85 PolarHBondContact O-N 2.74Å; E81-G85 VanDerWaalsContact O-N 3.11Å; E81-D86 HydrophobicContact CB-CB 4.22Å; E81-D86 HydrophobicContact CG-CB 4.43Å; E81-D86 PolarHBondContact O-N 3.38Å; E81-I88 HydrophobicContact CB-CG1 4.04Å; E81-I88 WeakPolarHBondContact OE2-CA 2.78Å; E81-N89 PolarHBondContact OE2-N 3.37Å
82L94.2Very high95Very high27 Ų2771.9 Ų71.914%0.14139%0.394CS..Hα-helixtrans-64.9-45.2178.7-164.3159.8000112W78 L79 L80 M84 G85 I88 L101W78-L82 HydrophobicContact CH2-CD1 4.23Å; W78-L82 HydrophobicContact CZ2-CD1 3.54Å; W78-L82 VanDerWaalsContact O-CB 3.24Å; W78-L82 WeakPolarHBondContact O-CB 3.31Å; W78-L82 PolarHBondContact O-N 3.41Å; L79-L82 PolarHBondContact O-N 2.99Å; L80-L82 VanDerWaalsContact C-N 3.27Å; L80-L82 PolarHBondContact O-N 3.49Å; L82-M84 VanDerWaalsContact C-N 3.33Å; L82-M84 PolarHBondContact O-N 3.36Å; L82-G85 PolarHBondContact O-N 2.91Å; L82-I88 HydrophobicContact CB-CD1 3.93Å; L82-I88 HydrophobicContact CD1-CD1 4.14Å; L82-I88 HydrophobicContact CG-CD1 4.01Å; L82-L101 HydrophobicContact CD1-CD1 4.26Å; L82-L101 HydrophobicContact CD1-CD2 4.41Å; L82-L101 HydrophobicContact CD1-CG 3.72Å; L82-L101 HydrophobicContact CD2-CB 3.9Å; L82-L101 HydrophobicContact CD2-CD1 3.66Å; L82-L101 HydrophobicContact CD2-CG 3.53Å; L82-L101 HydrophobicContact CG-CG 4.29Å
83L93.5Very high95Very high83 Ų8369.8 Ų69.844%0.43539%0.385SS..Hα-helixtrans-68.2-31.3179.5-70.4176.8000113.1L79 L80 G85 P105 I108L79-L83 HydrophobicContact CD1-CD1 3.95Å; L79-L83 HydrophobicContact CD1-CG 4.02Å; L79-L83 HydrophobicContact CG-CD1 3.91Å; L79-L83 HydrophobicContact CG-CG 4.35Å; L79-L83 WeakPolarHBondContact O-CB 3.07Å; L79-L83 VanDerWaalsContact O-CG 3.24Å; L79-L83 WeakPolarHBondContact O-CG 3.44Å; L79-L83 PolarHBondContact O-N 3.32Å; L80-L83 PolarHBondContact O-N 3.39Å; L83-G85 VanDerWaalsContact C-N 3.31Å; L83-P105 HydrophobicContact CD2-CB 4.39Å; L83-P105 HydrophobicContact CD2-CG 4.09Å; L83-I108 HydrophobicContact CD2-CD1 4.08Å
84M94.2Very high94.6Very high126 Ų12672.8 Ų72.862%0.62138%0.382SS*.Hα-helixtrans-81.1-11.6176.9-66.1-60-6400113.1L80 E81 L82 D86L80-M84 HydrophobicContact CD1-CG 4.05Å; L80-M84 HydrophobicContact CG-CG 4.41Å; L80-M84 WeakPolarHBondContact O-CB 2.98Å; L80-M84 VanDerWaalsContact O-CG 3.26Å; L80-M84 WeakPolarHBondContact O-CG 3.23Å; L80-M84 PolarHBondContact O-N 3Å; E81-M84 PolarHBondContact O-N 2.96Å; L82-M84 VanDerWaalsContact C-N 3.33Å; L82-M84 PolarHBondContact O-N 3.36Å; M84-D86 WeakPolarHBondContact CB-OD2 3.43Å
85G92.3Very high94.3Very high67 Ų6776.1 Ų76.169%0.69140%0.396SS*.THydrogen-bonded Turntrans71.420.9-17200000113.2E81 L82 L83E81-G85 PolarHBondContact O-N 2.74Å; E81-G85 VanDerWaalsContact O-N 3.11Å; L82-G85 PolarHBondContact O-N 2.91Å; L83-G85 VanDerWaalsContact C-N 3.31Å
86D94Very high94.1Very high97 Ų9782.9 Ų82.952%0.51943%0.425SS..  trans-76.7165.1178.1-73.3-31.4000111.3E81 M84 I88E81-D86 HydrophobicContact CB-CB 4.22Å; E81-D86 HydrophobicContact CG-CB 4.43Å; E81-D86 PolarHBondContact O-N 3.38Å; M84-D86 WeakPolarHBondContact CB-OD2 3.43Å; D86-I88 PolarHBondContact O-N 2.9Å; D86-I88 VanDerWaalsContact O-N 3.11Å
87K94.3Very high94Very high197 Ų19779.4 Ų79.486%0.85741%0.407SS*.  trans-67.9111.2172.9-175.1-176.8179.5-179.70110.1N89K87-N89 PolarHBondContact O-N 3.2Å
88I95.1Very high93.8Very high25 Ų2573.2 Ų73.213%0.12839%0.386CS..  trans-70.4125.1178.6-61.3165.7000110.8E81 L82 D86 T90 L99E81-I88 HydrophobicContact CB-CG1 4.04Å; E81-I88 WeakPolarHBondContact OE2-CA 2.78Å; L82-I88 HydrophobicContact CB-CD1 3.93Å; L82-I88 HydrophobicContact CD1-CD1 4.14Å; L82-I88 HydrophobicContact CG-CD1 4.01Å; D86-I88 PolarHBondContact O-N 2.9Å; D86-I88 VanDerWaalsContact O-N 3.11Å; I88-T90 HydrophobicContact CG2-CG2 4.33Å; I88-T90 PolarHBondContact O-N 3.34Å; I88-L99 HydrophobicContact CB-CD2 4.25Å; I88-L99 HydrophobicContact CD1-CD2 4.17Å; I88-L99 HydrophobicContact CG2-CD2 4.28Å
89N94.5Very high93.6Very high70 Ų7077.1 Ų77.137%0.37441%0.407SS..  trans-84104.7172.6-178.85000111.2H74 E81 K87 N91 F93H74-N89 PolarHBondContact CE1-O 2.95Å; H74-N89 PolarHBondContact NE2-O 3.45Å; E81-N89 PolarHBondContact OE2-N 3.37Å; K87-N89 PolarHBondContact O-N 3.2Å; N89-N91 VanDerWaalsContact C-N 3.3Å; N89-N91 PolarHBondContact O-N 2.66Å; N89-N91 VanDerWaalsContact OD1-CB 3.3Å; N89-N91 WeakPolarHBondContact OD1-CB 3.45Å; N89-N91 PolarHBondContact OD1-N 3.19Å; N89-F93 WeakPolarHBondContact O-CE2 3.11Å
90T94.7Very high93.3Very high53 Ų5380.5 Ų80.533%0.32543%0.425SS..  trans-81.6-1.2-178.261.30000114.6I88 F93 P97 L99I88-T90 HydrophobicContact CG2-CG2 4.33Å; I88-T90 PolarHBondContact O-N 3.34Å; T90-F93 WeakPolarHBondContact O-CD2 3.4Å; T90-P97 HydrophobicContact CG2-CG 4.03Å; T90-L99 HydrophobicContact CG2-CD2 3.83Å
91N94.4Very high93.1Very high123 Ų12376.8 Ų76.866%0.65841%0.405SS*.THydrogen-bonded Turntrans-70.3134.4178-67.3-21.1000110.9H74 N89H74-N91 PolarHBondContact NE2-O 3.1Å; H74-N91 VanDerWaalsContact NE2-O 3.14Å; N89-N91 VanDerWaalsContact C-N 3.3Å; N89-N91 PolarHBondContact O-N 2.66Å; N89-N91 VanDerWaalsContact OD1-CB 3.3Å; N89-N91 WeakPolarHBondContact OD1-CB 3.45Å; N89-N91 PolarHBondContact OD1-N 3.19Å
92G90Very high93Very high64 Ų6476.2 Ų76.266%0.6640%0.403SS*.THydrogen-bonded Turntrans92.2-0.7178.600000115.2K72K72-G92 PolarHBondContact NZ-O 3.2Å
93F93.5Very high93Very high22 Ų2275.4 Ų75.410%0.09640%0.398CS..  trans-84.7144.4163.1-62.4-75.4000110.2P50 E51 H74 D75 W78 N89 T90 K95 P97P50-F93 HydrophobicContact CB-CD1 4.23Å; P50-F93 HydrophobicContact CB-CE1 3.73Å; P50-F93 HydrophobicContact CB-CZ 4.35Å; P50-F93 HydrophobicContact CG-CE1 3.91Å; E51-F93 VanDerWaalsContact CD-CD1 3.44Å; E51-F93 HydrophobicContact CG-CB 4Å; E51-F93 HydrophobicContact CG-CD1 4.2Å; E51-F93 HydrophobicContact CG-CG 4.45Å; E51-F93 WeakPolarHBondContact OE1-CA 3.01Å; E51-F93 WeakPolarHBondContact OE1-CB 3.16Å; E51-F93 VanDerWaalsContact OE1-CD1 3.25Å; E51-F93 WeakPolarHBondContact OE1-CD1 3.45Å; H74-F93 AromaticContact CD2-CD2 3.84Å; H74-F93 AromaticContact CD2-CE1 3.77Å; H74-F93 AromaticContact CD2-CE2 3.2Å; H74-F93 WeakPolarHBondContact CD2-CE2 3.36Å; H74-F93 AromaticContact CD2-CZ 3.14Å; H74-F93 WeakPolarHBondContact CD2-CZ 3.18Å; H74-F93 AromaticContact NE2-CD2 3.79Å; H74-F93 AromaticContact NE2-CE2 3.08Å; H74-F93 WeakPolarHBondContact NE2-CE2 3.06Å; H74-F93 AromaticContact NE2-CZ 3.49Å; H74-F93 WeakPolarHBondContact NE2-CZ 3.06Å; D75-F93 WeakPolarHBondContact OD1-CE1 3.48Å; W78-F93 HydrophobicContact CB-CE2 4.44Å; W78-F93 HydrophobicContact CB-CZ 3.69Å; W78-F93 HydrophobicContact CG-CZ 4.1Å; N89-F93 WeakPolarHBondContact O-CE2 3.11Å; T90-F93 WeakPolarHBondContact O-CD2 3.4Å; F93-K95 VanDerWaalsContact C-N 3.27Å; F93-K95 WeakPolarHBondContact CB-O 3.19Å; F93-P97 HydrophobicContact CD1-CB 4.46Å; F93-P97 HydrophobicContact CD2-CB 4.36Å; F93-P97 HydrophobicContact CD2-CG 3.6Å; F93-P97 HydrophobicContact CE2-CB 4.49Å; F93-P97 HydrophobicContact CE2-CG 3.8Å; F93-P97 HydrophobicContact CG-CB 4.34Å; F93-P97 HydrophobicContact CG-CG 3.99Å; F93-P97 HydrophobicContact CZ-CG 4.4Å
94W88.2Confident93Very high176 Ų17677.2 Ų77.267%0.66740%0.402SS*.SBendtrans-78.8-19.1-178.862.9-92.4000112Y49 E51Y49-W94 AromaticContact CE2-CZ2 3.82Å; Y49-W94 HydrophobicContact CE2-CZ2 3.82Å; Y49-W94 AromaticContact CE2-NE1 3.85Å; Y49-W94 WeakPolarHBondContact OH-CZ2 3.47Å; E51-W94 HydrophobicContact CB-CZ2 3.98Å; E51-W94 PolarHBondContact OE1-N 3.38Å; E51-W94 PolarHBondContact OE1-NE1 2.79Å
95K90.2Very high93Very high100 Ų10075.4 Ų75.444%0.43540%0.4SS..SBendtrans-138.1154.2171.8168.8-175172.1-154.60107.5E51 F93 P97E51-K95 HydrophobicContact CB-CB 4.07Å; E51-K95 HydrophobicContact CB-CD 4.38Å; E51-K95 HydrophobicContact CB-CG 4.42Å; E51-K95 HydrophobicContact CG-CB 4.05Å; E51-K95 WeakPolarHBondContact CG-O 3.28Å; E51-K95 PolarHBondContact O-NZ 2.88Å; F93-K95 VanDerWaalsContact C-N 3.27Å; F93-K95 WeakPolarHBondContact CB-O 3.19Å; K95-P97 WeakPolarHBondContact O-CD 3.39Å; K95-P97 VanDerWaalsContact O-N 3.17Å
96K92.2Very high93.1Very high145 Ų14579.5 Ų79.563%0.6340%0.396SS*.PPolyproline II helixtrans-59.1121.5176.2-172.7178.6179.3-177.60109.3
97P94.8Very high93.1Very high5 Ų575.2 Ų75.23%0.03237%0.372CS..PPolyproline II helixtrans-73.7168.117835.1-39000110.7P50 T90 F93 K95P50-P97 HydrophobicContact CB-CB 3.8Å; P50-P97 WeakPolarHBondContact O-CA 3.46Å; P50-P97 WeakPolarHBondContact O-CB 3.23Å; T90-P97 HydrophobicContact CG2-CG 4.03Å; F93-P97 HydrophobicContact CD1-CB 4.46Å; F93-P97 HydrophobicContact CD2-CB 4.36Å; F93-P97 HydrophobicContact CD2-CG 3.6Å; F93-P97 HydrophobicContact CE2-CB 4.49Å; F93-P97 HydrophobicContact CE2-CG 3.8Å; F93-P97 HydrophobicContact CG-CB 4.34Å; F93-P97 HydrophobicContact CG-CG 3.99Å; F93-P97 HydrophobicContact CZ-CG 4.4Å; K95-P97 WeakPolarHBondContact O-CD 3.39Å; K95-P97 VanDerWaalsContact O-N 3.17Å
98A93.1Very high93.1Very high10 Ų1066.6 Ų66.68%0.08334%0.336CS..PPolyproline II helixtrans-61.6139.3171.100000110.6P50 V53 W78P50-A98 PolarHBondContact O-N 2.98Å; V53-A98 HydrophobicContact CG1-CB 3.4Å; V53-A98 VanDerWaalsContact CG1-CB 3.4Å; W78-A98 HydrophobicContact CZ2-CB 4.28Å; W78-A98 PolarHBondContact NE1-O 3.48Å
99L94Very high93.1Very high83 Ų8371.7 Ų71.744%0.43535%0.353SS..SBendtrans-100.2-3.1177.4-60.4-177.9000112.5I88 T90I88-L99 HydrophobicContact CB-CD2 4.25Å; I88-L99 HydrophobicContact CD1-CD2 4.17Å; I88-L99 HydrophobicContact CG2-CD2 4.28Å; T90-L99 HydrophobicContact CG2-CD2 3.83Å
100N91.4Very high93.1Very high80 Ų8073.1 Ų73.143%0.42836%0.36SS..SBendtrans-147.9147.9177.961.6-72.9000107.9S55S55-N100 PolarHBondContact O-ND2 3.4Å
101L91.5Very high93.2Very high29 Ų2971 Ų7115%0.15235%0.347CS..  trans-103.9139.7170.9-74.6175.7000109.5V53 W78 L79 L82 Y103 I108V53-L101 HydrophobicContact CG1-CD2 4.08Å; V53-L101 HydrophobicContact CG2-CD2 3.88Å; W78-L101 HydrophobicContact CH2-CD2 3.96Å; W78-L101 HydrophobicContact CZ2-CD2 4.38Å; L79-L101 HydrophobicContact CD1-CD1 3.98Å; L82-L101 HydrophobicContact CD1-CD1 4.26Å; L82-L101 HydrophobicContact CD1-CD2 4.41Å; L82-L101 HydrophobicContact CD1-CG 3.72Å; L82-L101 HydrophobicContact CD2-CB 3.9Å; L82-L101 HydrophobicContact CD2-CD1 3.66Å; L82-L101 HydrophobicContact CD2-CG 3.53Å; L82-L101 HydrophobicContact CG-CG 4.29Å; L101-Y103 VanDerWaalsContact C-N 3.27Å; L101-I108 HydrophobicContact CD1-CD1 3.58Å
102I93.3Very high93.2Very high19 Ų1969.8 Ų69.810%0.09734%0.34CS..SBendtrans-81.9-12.817067.2-179.5000111.9F54 S55 P57 H59 N60F54-I102 HydrophobicContact CB-CD1 3.63Å; S55-I102 WeakPolarHBondContact O-CG2 3.34Å; P57-I102 HydrophobicContact CG-CG2 4.47Å; H59-I102 HydrophobicContact CB-CD1 4.22Å; N60-I102 HydrophobicContact CB-CB 4.45Å; N60-I102 HydrophobicContact CB-CD1 4.37Å; N60-I102 PolarHBondContact OD1-O 3.45Å
103Y93.5Very high93.5Very high10 Ų1069.9 Ų69.94%0.03933%0.329CS..SBendtrans-95.5148.5-178.3-53.2-68.9000112.1R46 V53 V66 L101R46-Y103 WeakPolarHBondContact CD-OH 3.42Å; V53-Y103 HydrophobicContact CG2-CD2 4.26Å; V53-Y103 HydrophobicContact CG2-CE2 3.84Å; V66-Y103 HydrophobicContact CB-CD2 4.27Å; V66-Y103 HydrophobicContact CB-CE2 4.47Å; V66-Y103 HydrophobicContact CB-CG 4.37Å; V66-Y103 HydrophobicContact CG1-CD1 3.58Å; V66-Y103 HydrophobicContact CG1-CD2 3.74Å; V66-Y103 HydrophobicContact CG1-CE1 3.52Å; V66-Y103 HydrophobicContact CG1-CE2 3.69Å; V66-Y103 HydrophobicContact CG1-CG 3.69Å; V66-Y103 HydrophobicContact CG2-CD1 4.43Å; V66-Y103 HydrophobicContact CG2-CD2 3.91Å; V66-Y103 HydrophobicContact CG2-CG 3.82Å; L101-Y103 VanDerWaalsContact C-N 3.27Å
104K94Very high93.6Very high121 Ų12173.1 Ų73.153%0.52634%0.343SS..  trans-82.1153.9175.5-58.4-60.6-178.7-177.20111.5Y106 Q107K104-Y106 HydrophobicContact CB-CD1 3.6Å; K104-Y106 HydrophobicContact CB-CE1 3.23Å; K104-Y106 HydrophobicContact CB-CE2 4.48Å; K104-Y106 HydrophobicContact CB-CG 4.37Å; K104-Y106 HydrophobicContact CG-CD1 4.48Å; K104-Y106 HydrophobicContact CG-CE1 3.66Å; K104-Y106 PolarHBondContact O-N 3.15Å; K104-Y106 VanDerWaalsContact O-N 3.1Å; K104-Q107 HydrophobicContact CB-CG 4.46Å; K104-Q107 WeakPolarHBondContact O-CB 3.45Å; K104-Q107 PolarHBondContact O-N 3.28Å
105P94Very high94Very high88 Ų8865.3 Ų65.357%0.57131%0.314SS*.G310 helixtrans-52.1-37.5-179.7-28.935.1000114.4L83 Q107 I108L83-P105 HydrophobicContact CD2-CB 4.39Å; L83-P105 HydrophobicContact CD2-CG 4.09Å; P105-Q107 PolarHBondContact O-N 2.93Å; P105-I108 PolarHBondContact O-N 2.84Å; P105-I108 VanDerWaalsContact O-N 3.12Å
106Y94.3Very high94.3Very high153 Ų15361.6 Ų61.660%0.630%0.299SS*.G310 helixtrans-68-20.6179.566.4-100.5000114.1K104 I108 R109K104-Y106 HydrophobicContact CB-CD1 3.6Å; K104-Y106 HydrophobicContact CB-CE1 3.23Å; K104-Y106 HydrophobicContact CB-CE2 4.48Å; K104-Y106 HydrophobicContact CB-CG 4.37Å; K104-Y106 HydrophobicContact CG-CD1 4.48Å; K104-Y106 HydrophobicContact CG-CE1 3.66Å; K104-Y106 PolarHBondContact O-N 3.15Å; K104-Y106 VanDerWaalsContact O-N 3.1Å; Y106-I108 VanDerWaalsContact C-N 3.33Å; Y106-R109 PolarHBondContact O-NH1 2.96Å
107Q93.9Very high94.5Very high6 Ų660.5 Ų60.53%0.02829%0.291CS..G310 helixtrans-81.2-15175.4-61.2-179.3-98.100112.2D61 P62 T64 T65 V66 K104 P105D61-Q107 PolarHBondContact O-NE2 3.22Å; P62-Q107 PolarHBondContact O-NE2 3.25Å; T64-Q107 PolarHBondContact O-NE2 3.42Å; T65-Q107 CarbonylContact C-O 3.56Å; T65-Q107 WeakPolarHBondContact CA-O 3.5Å; V66-Q107 HydrophobicContact CG2-CB 4.49Å; V66-Q107 PolarHBondContact N-O 3.28Å; K104-Q107 HydrophobicContact CB-CG 4.46Å; K104-Q107 WeakPolarHBondContact O-CB 3.45Å; K104-Q107 PolarHBondContact O-N 3.28Å; P105-Q107 PolarHBondContact O-N 2.93Å
108I93.8Very high94.6Very high16 Ų1660.9 Ų60.98%0.08229%0.293CS..EExtended strand (participates in β ladder)trans-90.9132.4-171.5-56.2169000109.9V66 L79 L83 L101 P105 Y106V66-I108 HydrophobicContact CG2-CB 4.32Å; V66-I108 HydrophobicContact CG2-CG1 3.74Å; V66-I108 CarbonylContact O-C 3.56Å; V66-I108 WeakPolarHBondContact O-CA 3.49Å; L79-I108 HydrophobicContact CD1-CD1 4.23Å; L79-I108 HydrophobicContact CD1-CG2 4.29Å; L79-I108 HydrophobicContact CD2-CG2 4.06Å; L83-I108 HydrophobicContact CD2-CD1 4.08Å; L101-I108 HydrophobicContact CD1-CD1 3.58Å; P105-I108 PolarHBondContact O-N 2.84Å; P105-I108 VanDerWaalsContact O-N 3.12Å; Y106-I108 VanDerWaalsContact C-N 3.33Å
109R95.8Very high94.8Very high133 Ų13360.4 Ų60.450%0.50229%0.29SS..EExtended strand (participates in β ladder)trans-126.4157.1166.6-62.8-65.1179.5-80.5-5.3109.2T65 V66 I67 L68 Y106T65-R109 HydrophobicContact CG2-CG 3.82Å; V66-R109 PolarHBondContact O-N 3.16Å; I67-R109 CarbonylContact C-O 3.54Å; I67-R109 WeakPolarHBondContact CA-O 3.33Å; I67-R109 HydrophobicContact CG1-CB 4.38Å; L68-R109 PolarHBondContact N-O 2.8Å; Y106-R109 PolarHBondContact O-NH1 2.96Å
110I95.4Very high95Very high99 Ų9956.8 Ų56.851%0.50827%0.272SS..EExtended strand (participates in β ladder)trans-106.5127.6173.3-58.6173.4000106.6L76 L79L76-I110 HydrophobicContact CD2-CD1 4.08Å; L76-I110 HydrophobicContact CD2-CG2 3.91Å; L79-I110 HydrophobicContact CD2-CD1 4.17Å; L79-I110 HydrophobicContact CD2-CG1 4.13Å
111L95.4Very high95.2Very high10 Ų1056.6 Ų56.65%0.05227%0.265CS..  trans-66.7133.6177.3-170.268.8000109.6L47 I67 L68 T69 P113 I115 I116 I144 L148L47-L111 HydrophobicContact CD2-CD2 4.4Å; I67-L111 HydrophobicContact CG2-CB 3.75Å; I67-L111 HydrophobicContact CG2-CD1 4.03Å; I67-L111 HydrophobicContact CG2-CG 4.47Å; L68-L111 WeakPolarHBondContact O-CB 2.92Å; L68-L111 PolarHBondContact O-N 3.31Å; T69-L111 HydrophobicContact CG2-CD2 4.04Å; L111-P113 WeakPolarHBondContact O-CD 3.31Å; L111-I115 HydrophobicContact CD1-CB 4.2Å; L111-I115 HydrophobicContact CD1-CG1 4.09Å; L111-I115 HydrophobicContact CD1-CG2 4.33Å; L111-I115 HydrophobicContact CD2-CB 4.19Å; L111-I115 HydrophobicContact CD2-CG2 4.23Å; L111-I115 HydrophobicContact CG-CB 4.19Å; L111-I115 HydrophobicContact CG-CG1 4.43Å; L111-I116 HydrophobicContact CD2-CD1 4.37Å; L111-I116 HydrophobicContact CD2-CG1 3.89Å; L111-I144 HydrophobicContact CD2-CG2 3.37Å; L111-L148 HydrophobicContact CD1-CD1 3.99Å; L111-L148 HydrophobicContact CD1-CD2 3.98Å; L111-L148 HydrophobicContact CD1-CG 4.4Å
112D95.2Very high95.5Very high97 Ų9761.1 Ų61.152%0.51929%0.286SS..  trans-62.1123.3170.4-169.2-38.7000109.2F114 I115D112-F114 HydrophobicContact CB-CB 4.47Å; D112-F114 PolarHBondContact O-N 3.43Å; D112-F114 WeakPolarHBondContact OD1-CB 3.35Å; D112-F114 PolarHBondContact OD1-N 2.95Å; D112-I115 PolarHBondContact O-N 3.07Å
113P95.9Very high95.6Very high66 Ų6662.4 Ų62.443%0.42929%0.293SS..Hα-helixtrans-56.8-16.8177.4-25.935.7000114.1L111 I115 I116 R117L111-P113 WeakPolarHBondContact O-CD 3.31Å; P113-I115 VanDerWaalsContact C-N 3.27Å; P113-I115 PolarHBondContact O-N 3.02Å; P113-I116 PolarHBondContact O-N 3.36Å; P113-R117 WeakPolarHBondContact O-CG 3.26Å; P113-R117 PolarHBondContact O-N 3Å
114F96.7Very high95.8Very high89 Ų8962.4 Ų62.439%0.3929%0.293SS..Hα-helixtrans-51.7-44.4168.1175.1-104.2000112.4D112 I116 R117 T118 Y151D112-F114 HydrophobicContact CB-CB 4.47Å; D112-F114 PolarHBondContact O-N 3.43Å; D112-F114 WeakPolarHBondContact OD1-CB 3.35Å; D112-F114 PolarHBondContact OD1-N 2.95Å; F114-I116 VanDerWaalsContact C-N 3.35Å; F114-I116 PolarHBondContact O-N 2.91Å; F114-R117 PolarHBondContact O-N 3.05Å; F114-R117 VanDerWaalsContact O-N 3.16Å; F114-T118 PolarHBondContact O-N 3.44Å; F114-T118 PolarHBondContact O-OG1 2.83Å; F114-T118 VanDerWaalsContact O-OG1 3.11Å; F114-Y151 AromaticContact CE1-CE1 3.87Å; F114-Y151 HydrophobicContact CE1-CE1 3.87Å; F114-Y151 HydrophobicContact CE1-CE2 4.1Å; F114-Y151 AromaticContact CE1-CZ 3.52Å; F114-Y151 WeakPolarHBondContact CE1-OH 3.33Å; F114-Y151 HydrophobicContact CZ-CE1 4.48Å; F114-Y151 WeakPolarHBondContact CZ-OH 2.83Å
115I95.8Very high95.9Very high12 Ų1263.7 Ų63.76%0.06230%0.301CS..Hα-helixtrans-62-44.1-179.7-57.3-60.5000110.9L111 D112 P113 R117 T118 A119 I144 T147 L148 Y151L111-I115 HydrophobicContact CD1-CB 4.2Å; L111-I115 HydrophobicContact CD1-CG1 4.09Å; L111-I115 HydrophobicContact CD1-CG2 4.33Å; L111-I115 HydrophobicContact CD2-CB 4.19Å; L111-I115 HydrophobicContact CD2-CG2 4.23Å; L111-I115 HydrophobicContact CG-CB 4.19Å; L111-I115 HydrophobicContact CG-CG1 4.43Å; D112-I115 PolarHBondContact O-N 3.07Å; P113-I115 VanDerWaalsContact C-N 3.27Å; P113-I115 PolarHBondContact O-N 3.02Å; I115-R117 VanDerWaalsContact C-N 3.33Å; I115-R117 PolarHBondContact O-N 3.04Å; I115-T118 PolarHBondContact O-N 3.43Å; I115-A119 WeakPolarHBondContact O-CB 3.4Å; I115-A119 PolarHBondContact O-N 3.42Å; I115-I144 HydrophobicContact CG2-CG2 4.21Å; I115-T147 HydrophobicContact CG2-CG2 3.88Å; I115-L148 HydrophobicContact CD1-CD1 4.45Å; I115-L148 HydrophobicContact CG1-CD1 4.35Å; I115-L148 HydrophobicContact CG2-CB 4.07Å; I115-Y151 HydrophobicContact CD1-CD2 3.43Å; I115-Y151 VanDerWaalsContact CD1-CD2 3.43Å; I115-Y151 HydrophobicContact CD1-CE2 3.82Å; I115-Y151 HydrophobicContact CD1-CG 4.08Å
116I96Very high96Very high23 Ų2360.1 Ų60.112%0.11828%0.276CS..Hα-helixtrans-63.6-41177.5-53.2176.2000110.4T69 F71 L111 P113 F114 A120 I144T69-I116 HydrophobicContact CG2-CD1 3.64Å; T69-I116 HydrophobicContact CG2-CG1 4.15Å; F71-I116 HydrophobicContact CE1-CD1 4.47Å; F71-I116 HydrophobicContact CE1-CG2 4.41Å; L111-I116 HydrophobicContact CD2-CD1 4.37Å; L111-I116 HydrophobicContact CD2-CG1 3.89Å; P113-I116 PolarHBondContact O-N 3.36Å; F114-I116 VanDerWaalsContact C-N 3.35Å; F114-I116 PolarHBondContact O-N 2.91Å; I116-A120 WeakPolarHBondContact O-CB 3.14Å; I116-A120 PolarHBondContact O-N 3.47Å; I116-I144 HydrophobicContact CG1-CD1 4.25Å; I116-I144 HydrophobicContact CG1-CG2 4.37Å; I116-I144 HydrophobicContact CG2-CD1 4.25Å
117R96.8Very high95.9Very high121 Ų12156 Ų5646%0.45727%0.268SS..Hα-helixtrans-66.1-42.4177.2-70.9-169.5-59-90.60.6112.1P113 F114 I115 A120 Y121P113-R117 WeakPolarHBondContact O-CG 3.26Å; P113-R117 PolarHBondContact O-N 3Å; F114-R117 PolarHBondContact O-N 3.05Å; F114-R117 VanDerWaalsContact O-N 3.16Å; I115-R117 VanDerWaalsContact C-N 3.33Å; I115-R117 PolarHBondContact O-N 3.04Å; R117-A120 PolarHBondContact O-N 3.19Å; R117-Y121 HydrophobicContact CB-CD2 3.96Å; R117-Y121 HydrophobicContact CB-CE2 4.08Å; R117-Y121 HydrophobicContact CG-CD2 4.34Å; R117-Y121 HydrophobicContact CG-CE2 3.94Å; R117-Y121 WeakPolarHBondContact O-CB 3.37Å; R117-Y121 VanDerWaalsContact O-CD2 3.3Å; R117-Y121 WeakPolarHBondContact O-CD2 3.39Å; R117-Y121 PolarHBondContact O-N 3.28Å
118T97.6Very high95.8Very high14 Ų1463.1 Ų63.19%0.08630%0.299CS..Iπ-helixtrans-61.2-48.4176-61.60000110.4F114 I115 A120 E122 L123 T147 Y151F114-T118 PolarHBondContact O-N 3.44Å; F114-T118 PolarHBondContact O-OG1 2.83Å; F114-T118 VanDerWaalsContact O-OG1 3.11Å; I115-T118 PolarHBondContact O-N 3.43Å; T118-A120 VanDerWaalsContact C-N 3.35Å; T118-A120 PolarHBondContact O-N 2.85Å; T118-E122 HydrophobicContact CG2-CB 4.17Å; T118-E122 HydrophobicContact CG2-CG 4.39Å; T118-E122 WeakPolarHBondContact O-CA 3.25Å; T118-E122 WeakPolarHBondContact O-CB 3.09Å; T118-E122 PolarHBondContact O-N 2.98Å; T118-L123 HydrophobicContact CG2-CG 4.44Å; T118-L123 PolarHBondContact O-N 2.77Å; T118-T147 HydrophobicContact CG2-CG2 3.89Å; T118-Y151 HydrophobicContact CG2-CE2 4.27Å
119A97Very high95.8Very high0 Ų068.2 Ų68.20%033%0.331CS..Iπ-helixtrans-54.9-5017500000111.6I115 L124 P139 I143 I144 T147I115-A119 WeakPolarHBondContact O-CB 3.4Å; I115-A119 PolarHBondContact O-N 3.42Å; A119-L124 WeakPolarHBondContact O-CB 3.5Å; A119-L124 VanDerWaalsContact O-CG 3.3Å; A119-L124 WeakPolarHBondContact O-CG 3.39Å; A119-L124 PolarHBondContact O-N 2.85Å; A119-P139 HydrophobicContact CB-CB 4.05Å; A119-P139 HydrophobicContact CB-CG 3.76Å; A119-I143 HydrophobicContact CB-CG2 4.28Å; A119-I144 HydrophobicContact CB-CG1 4.33Å; A119-T147 HydrophobicContact CB-CG2 4.27Å; A119-T147 WeakPolarHBondContact CB-OG1 3.43Å
120A97.2Very high95.5Very high7 Ų763.8 Ų63.86%0.05832%0.315CS..Iπ-helixtrans-68.7-49.2-176.300000113.5I116 R117 T118 H125 F126 P139I116-A120 WeakPolarHBondContact O-CB 3.14Å; I116-A120 PolarHBondContact O-N 3.47Å; R117-A120 PolarHBondContact O-N 3.19Å; T118-A120 VanDerWaalsContact C-N 3.35Å; T118-A120 PolarHBondContact O-N 2.85Å; A120-H125 PolarHBondContact O-N 3.06Å; A120-F126 HydrophobicContact CB-CD2 4.36Å; A120-F126 WeakPolarHBondContact O-CB 3.3Å; A120-F126 PolarHBondContact O-N 2.85Å; A120-P139 HydrophobicContact CB-CG 3.7Å
121Y96.9Very high95.3Very high76 Ų7662 Ų6230%0.29831%0.31SS..Iπ-helixtrans-99.4-37.1-165.6-54.6-43.7000113.2R117 H125 F126 K128R117-Y121 HydrophobicContact CB-CD2 3.96Å; R117-Y121 HydrophobicContact CB-CE2 4.08Å; R117-Y121 HydrophobicContact CG-CD2 4.34Å; R117-Y121 HydrophobicContact CG-CE2 3.94Å; R117-Y121 WeakPolarHBondContact O-CB 3.37Å; R117-Y121 VanDerWaalsContact O-CD2 3.3Å; R117-Y121 WeakPolarHBondContact O-CD2 3.39Å; R117-Y121 PolarHBondContact O-N 3.28Å; Y121-H125 WeakPolarHBondContact O-CA 3.47Å; Y121-H125 PolarHBondContact O-ND1 2.96Å; Y121-F126 WeakPolarHBondContact CD1-O 3.17Å; Y121-K128 HydrophobicContact CD1-CG 3.92Å; Y121-K128 HydrophobicContact CE1-CB 4.32Å; Y121-K128 HydrophobicContact CE1-CG 3.74Å; Y121-K128 HydrophobicContact CE2-CG 4.36Å; Y121-K128 HydrophobicContact CG-CG 4.32Å
122E96.6Very high95Very high123 Ų12372.2 Ų72.258%0.57535%0.354SS*.Iπ-helixtrans-92.3-37.3-175.5-53.5-57.2149.800112T118 H125T118-E122 HydrophobicContact CG2-CB 4.17Å; T118-E122 HydrophobicContact CG2-CG 4.39Å; T118-E122 WeakPolarHBondContact O-CA 3.25Å; T118-E122 WeakPolarHBondContact O-CB 3.09Å; T118-E122 PolarHBondContact O-N 2.98Å; E122-H125 PolarHBondContact O-CE1 2.94Å; E122-H125 PolarHBondContact O-ND1 3.27Å
123L97Very high94.8Very high47 Ų4774.2 Ų74.225%0.24636%0.364CS..Iπ-helixtrans-93.7-47.1-178.1-55.9-174.6000113T118 T147 F197T118-L123 HydrophobicContact CG2-CG 4.44Å; T118-L123 PolarHBondContact O-N 2.77Å; L123-T147 HydrophobicContact CD1-CG2 4.03Å; L123-T147 WeakPolarHBondContact CD1-OG1 2.91Å; L123-F197 HydrophobicContact CB-CD2 4.06Å; L123-F197 HydrophobicContact CB-CE2 3.82Å; L123-F197 HydrophobicContact CB-CZ 4.35Å; L123-F197 HydrophobicContact CD1-CE2 3.89Å; L123-F197 HydrophobicContact CD1-CZ 3.79Å; L123-F197 HydrophobicContact CD2-CE2 4.12Å; L123-F197 HydrophobicContact CG-CE2 4.16Å
124L97.1Very high94.4Very high10 Ų1076.2 Ų76.25%0.05237%0.368CS..SBendtrans-94.9-6.2-178.1-61.4-178.9000114A119 F126 P139 I143 E194 F197A119-L124 WeakPolarHBondContact O-CB 3.5Å; A119-L124 VanDerWaalsContact O-CG 3.3Å; A119-L124 WeakPolarHBondContact O-CG 3.39Å; A119-L124 PolarHBondContact O-N 2.85Å; L124-F126 HydrophobicContact CB-CD1 3.87Å; L124-F126 HydrophobicContact CB-CE1 3.66Å; L124-F126 HydrophobicContact CB-CE2 4.33Å; L124-F126 HydrophobicContact CB-CG 4.3Å; L124-F126 HydrophobicContact CB-CZ 3.91Å; L124-F126 HydrophobicContact CD1-CE1 4.18Å; L124-F126 HydrophobicContact CD1-CE2 3.83Å; L124-F126 HydrophobicContact CD1-CZ 3.56Å; L124-F126 HydrophobicContact CG-CZ 4.36Å; L124-F126 WeakPolarHBondContact O-CD1 3.48Å; L124-F126 PolarHBondContact O-N 2.85Å; L124-F126 VanDerWaalsContact O-N 3.14Å; L124-P139 HydrophobicContact CD1-CB 3.77Å; L124-P139 HydrophobicContact CD1-CG 4.01Å; L124-I143 HydrophobicContact CD1-CG2 4.05Å; L124-I143 HydrophobicContact CD2-CG2 4.35Å; L124-I143 HydrophobicContact CG-CG2 4.21Å; L124-E194 HydrophobicContact CD1-CG 3.77Å; L124-E194 HydrophobicContact CD2-CB 4.39Å; L124-E194 HydrophobicContact CD2-CG 3.87Å; L124-F197 HydrophobicContact CD2-CB 3.79Å; L124-F197 HydrophobicContact CD2-CD1 4.36Å; L124-F197 HydrophobicContact CD2-CG 4.11Å
125H95.6Very high94Very high147 Ų14777.3 Ų77.368%0.68137%0.373SS*.  trans51.735.8179-53.2-52.6000114.4A120 Y121 E122A120-H125 PolarHBondContact O-N 3.06Å; Y121-H125 WeakPolarHBondContact O-CA 3.47Å; Y121-H125 PolarHBondContact O-ND1 2.96Å; E122-H125 PolarHBondContact O-CE1 2.94Å; E122-H125 PolarHBondContact O-ND1 3.27Å
126F95.3Very high93.7Very high13 Ų1380 Ų806%0.05739%0.391CS..  trans-66143.2174.5-68.6-7.6000110.7A120 Y121 L124 F130 K137 P139 N190 A193A120-F126 HydrophobicContact CB-CD2 4.36Å; A120-F126 WeakPolarHBondContact O-CB 3.3Å; A120-F126 PolarHBondContact O-N 2.85Å; Y121-F126 WeakPolarHBondContact CD1-O 3.17Å; L124-F126 HydrophobicContact CB-CD1 3.87Å; L124-F126 HydrophobicContact CB-CE1 3.66Å; L124-F126 HydrophobicContact CB-CE2 4.33Å; L124-F126 HydrophobicContact CB-CG 4.3Å; L124-F126 HydrophobicContact CB-CZ 3.91Å; L124-F126 HydrophobicContact CD1-CE1 4.18Å; L124-F126 HydrophobicContact CD1-CE2 3.83Å; L124-F126 HydrophobicContact CD1-CZ 3.56Å; L124-F126 HydrophobicContact CG-CZ 4.36Å; L124-F126 WeakPolarHBondContact O-CD1 3.48Å; L124-F126 PolarHBondContact O-N 2.85Å; L124-F126 VanDerWaalsContact O-N 3.14Å; F126-F130 HydrophobicContact CB-CZ 4.15Å; F126-K137 HydrophobicContact CD2-CB 3.75Å; F126-K137 HydrophobicContact CE2-CB 3.73Å; F126-K137 HydrophobicContact CG-CB 4.21Å; F126-K137 HydrophobicContact CZ-CB 4.17Å; F126-P139 HydrophobicContact CE2-CG 4.49Å; F126-N190 HydrophobicContact CE1-CB 3.7Å; F126-N190 HydrophobicContact CZ-CB 3.76Å; F126-A193 HydrophobicContact CE1-CB 3.96Å
127P93.7Very high93.5Very high66 Ų6681.8 Ų81.843%0.42940%0.398SS..  trans-6714217329.6-35.2000110.1V129 F130P127-V129 PolarHBondContact O-N 3.3Å; P127-F130 HydrophobicContact CG-CD1 3.82Å; P127-F130 HydrophobicContact CG-CD2 4.35Å; P127-F130 HydrophobicContact CG-CE1 3.43Å; P127-F130 VanDerWaalsContact CG-CE1 3.43Å; P127-F130 HydrophobicContact CG-CE2 4.04Å; P127-F130 HydrophobicContact CG-CG 4.25Å; P127-F130 HydrophobicContact CG-CZ 3.56Å; P127-F130 WeakPolarHBondContact O-CE2 3.5Å
128K92Very high93.2Very high156 Ų15679 Ų7968%0.67839%0.39SS*.SBendtrans-67-23.5175.4-65.2-178.1-179.2177.30112.8Y121Y121-K128 HydrophobicContact CD1-CG 3.92Å; Y121-K128 HydrophobicContact CE1-CB 4.32Å; Y121-K128 HydrophobicContact CE1-CG 3.74Å; Y121-K128 HydrophobicContact CE2-CG 4.36Å; Y121-K128 HydrophobicContact CG-CG 4.32Å
129V92.1Very high93.1Very high123 Ų12378.4 Ų78.475%0.74539%0.387SS*.SBendtrans-130.9123.3178.7-177.10000108.2P127P127-V129 PolarHBondContact O-N 3.3Å
130F90.9Very high92.8Very high41 Ų4178.4 Ų78.418%0.1839%0.387CS..  trans-94.4146.7175.1-71.2-94.5000110.5F126 P127 P136 K137F126-F130 HydrophobicContact CB-CZ 4.15Å; P127-F130 HydrophobicContact CG-CD1 3.82Å; P127-F130 HydrophobicContact CG-CD2 4.35Å; P127-F130 HydrophobicContact CG-CE1 3.43Å; P127-F130 VanDerWaalsContact CG-CE1 3.43Å; P127-F130 HydrophobicContact CG-CE2 4.04Å; P127-F130 HydrophobicContact CG-CG 4.25Å; P127-F130 HydrophobicContact CG-CZ 3.56Å; P127-F130 WeakPolarHBondContact O-CE2 3.5Å; F130-P136 HydrophobicContact CD2-CB 3.81Å; F130-P136 HydrophobicContact CE2-CB 4.31Å; F130-P136 HydrophobicContact CG-CB 4.29Å; F130-K137 HydrophobicContact CD1-CG 4.35Å; F130-K137 HydrophobicContact CE1-CB 3.83Å; F130-K137 HydrophobicContact CE1-CG 3.44Å; F130-K137 VanDerWaalsContact CE1-CG 3.44Å; F130-K137 HydrophobicContact CE2-CB 4.34Å; F130-K137 VanDerWaalsContact CE2-N 3.33Å; F130-K137 HydrophobicContact CZ-CB 3.49Å; F130-K137 VanDerWaalsContact CZ-CB 3.49Å; F130-K137 HydrophobicContact CZ-CG 3.7Å; F130-K137 VanDerWaalsContact CZ-N 3.25Å
131P91.4Very high92.6Very high61 Ų6178.2 Ų78.240%0.39639%0.385SS..  trans-52.8142.6169-26.736.2000111.6N133 Q134P131-N133 WeakPolarHBondContact CB-OD1 3.5Å; P131-N133 PolarHBondContact O-N 3.26Å; P131-Q134 HydrophobicContact CB-CG 4.29Å; P131-Q134 PolarHBondContact O-N 3.22Å
132K88.9Confident92.2Very high224 Ų22474.6 Ų74.697%0.97437%0.371SS*.THydrogen-bonded Turntrans-58.5-25.3-177.2-69.3-175.1178.6-1800114.1Q134K132-Q134 VanDerWaalsContact C-N 3.3Å
133N90.4Very high92.1Very high139 Ų13968.8 Ų68.874%0.74334%0.343SS*.THydrogen-bonded Turntrans-84.6-1.1177.464.7-29.8000113.5P131P131-N133 WeakPolarHBondContact CB-OD1 3.5Å; P131-N133 PolarHBondContact O-N 3.26Å
134Q87Confident92.1Very high109 Ų10966.5 Ų66.551%0.50933%0.331SS..SBendtrans-115.2147.2177.8-64.4-177.14.300110.5P131 K132P131-Q134 HydrophobicContact CB-CG 4.29Å; P131-Q134 PolarHBondContact O-N 3.22Å; K132-Q134 VanDerWaalsContact C-N 3.3Å
135K87.7Confident91.9Very high111 Ų11166 Ų6648%0.48333%0.329SS..PPolyproline II helixtrans-73.5135.6169.9-63.8-57.4-172.7177.40108.9A187 Y188K135-A187 HydrophobicContact CB-CB 4.1Å; K135-A187 HydrophobicContact CG-CB 3.9Å; K135-Y188 HydrophobicContact CB-CD1 4.06Å; K135-Y188 HydrophobicContact CB-CE1 3.94Å; K135-Y188 HydrophobicContact CD-CE1 4.1Å; K135-Y188 HydrophobicContact CG-CE1 4.28Å
136P90.3Very high91.7Very high70 Ų7059 Ų5946%0.45530%0.297SS..PPolyproline II helixtrans-60.9142.6174.727-33.9000109.8F130 Y188F130-P136 HydrophobicContact CD2-CB 3.81Å; F130-P136 HydrophobicContact CE2-CB 4.31Å; F130-P136 HydrophobicContact CG-CB 4.29Å; P136-Y188 HydrophobicContact CG-CE1 4.38Å; P136-Y188 WeakPolarHBondContact O-CD1 3.25Å
137K91.9Very high91.7Very high59 Ų5958.5 Ų58.526%0.25729%0.294SS..PPolyproline II helixtrans-95.1142177.2-53.7-64.4-169.4166.20110.9F126 F130 A187 Y188 H189F126-K137 HydrophobicContact CD2-CB 3.75Å; F126-K137 HydrophobicContact CE2-CB 3.73Å; F126-K137 HydrophobicContact CG-CB 4.21Å; F126-K137 HydrophobicContact CZ-CB 4.17Å; F130-K137 HydrophobicContact CD1-CG 4.35Å; F130-K137 HydrophobicContact CE1-CB 3.83Å; F130-K137 HydrophobicContact CE1-CG 3.44Å; F130-K137 VanDerWaalsContact CE1-CG 3.44Å; F130-K137 HydrophobicContact CE2-CB 4.34Å; F130-K137 VanDerWaalsContact CE2-N 3.33Å; F130-K137 HydrophobicContact CZ-CB 3.49Å; F130-K137 VanDerWaalsContact CZ-CB 3.49Å; F130-K137 HydrophobicContact CZ-CG 3.7Å; F130-K137 VanDerWaalsContact CZ-N 3.25Å; K137-A187 WeakPolarHBondContact CD-O 3.03Å; K137-A187 VanDerWaalsContact CE-O 3.29Å; K137-A187 WeakPolarHBondContact CE-O 3.41Å; K137-A187 PolarHBondContact NZ-O 3.31Å; K137-Y188 CarbonylContact C-O 3.01Å; K137-Y188 WeakPolarHBondContact CA-O 3.41Å; K137-H189 PolarHBondContact NZ-O 2.67Å
138H91.3Very high91.7Very high63 Ų6356.4 Ų56.429%0.29228%0.279SS..  trans-132.7147.4169.153.3-89.7000110.1Y188 H189H138-Y188 VanDerWaalsContact CE1-CB 3.44Å; H138-Y188 WeakPolarHBondContact CE1-CB 3.21Å; H138-Y188 PolarHBondContact N-O 2.79Å; H138-H189 AromaticContact CD2-CE1 3.34Å; H138-H189 PolarHBondContact CD2-CE1 3.5Å; H138-H189 AromaticContact CD2-ND1 3.81Å; H138-H189 AromaticContact NE2-CE1 3.2Å; H138-H189 PolarHBondContact NE2-CE1 2.94Å; H138-H189 AromaticContact NE2-ND1 3.95Å; H138-H189 AromaticContact NE2-NE2 3.8Å; H138-H189 PolarHBondContact O-ND1 2.87Å
139P94.3Very high91.7Very high2 Ų249 Ų491%0.01325%0.248CC..  trans-59.3147176.4-18.730.2000110.1A119 A120 L124 F126 I143 I144A119-P139 HydrophobicContact CB-CB 4.05Å; A119-P139 HydrophobicContact CB-CG 3.76Å; A120-P139 HydrophobicContact CB-CG 3.7Å; L124-P139 HydrophobicContact CD1-CB 3.77Å; L124-P139 HydrophobicContact CD1-CG 4.01Å; F126-P139 HydrophobicContact CE2-CG 4.49Å; P139-I143 HydrophobicContact CB-CB 4.37Å; P139-I143 HydrophobicContact CB-CG2 4.41Å; P139-I144 HydrophobicContact CB-CD1 4.35Å; P139-I144 HydrophobicContact CB-CG1 3.98Å
140T92Very high91.7Very high0 Ų046.6 Ų46.60%023%0.227CC..  trans-57.3151161.750.70000111.8E23 G142 I143 I144 M183 E194E23-T140 WeakPolarHBondContact OE1-CA 3.44Å; E23-T140 WeakPolarHBondContact OE1-CB 3.29Å; E23-T140 WeakPolarHBondContact OE2-CB 3.15Å; E23-T140 WeakPolarHBondContact OE2-CG2 3.4Å; T140-G142 PolarHBondContact O-N 2.85Å; T140-I143 PolarHBondContact O-N 3.25Å; T140-I143 VanDerWaalsContact OG1-CG1 3.31Å; T140-I143 WeakPolarHBondContact OG1-CG1 3.28Å; T140-I143 PolarHBondContact OG1-N 3.03Å; T140-I144 VanDerWaalsContact O-CG1 3.32Å; T140-I144 WeakPolarHBondContact O-CG1 3.26Å; T140-I144 PolarHBondContact O-N 2.83Å; T140-M183 HydrophobicContact CG2-CE 4.37Å; T140-E194 WeakPolarHBondContact CB-OE2 3.32Å; T140-E194 WeakPolarHBondContact CG2-OE1 3.34Å; T140-E194 WeakPolarHBondContact CG2-OE2 3.31Å; T140-E194 PolarHBondContact N-OE1 3.44Å; T140-E194 PolarHBondContact OG1-OE1 2.85Å; T140-E194 PolarHBondContact OG1-OE2 2.69Å
141T91.3Very high91.6Very high3 Ų350.6 Ų50.62%0.01824%0.242CC..Hα-helixtrans-55.2-29.5170.4-68.30000111.2E23 M27 L47 I144 A145E23-T141 HydrophobicContact CG-CG2 4.32Å; E23-T141 WeakPolarHBondContact OE1-CA 3.39Å; E23-T141 VanDerWaalsContact OE1-CB 3.25Å; E23-T141 WeakPolarHBondContact OE1-CB 3.35Å; E23-T141 PolarHBondContact OE1-N 3.12Å; M27-T141 HydrophobicContact CB-CG2 3.97Å; M27-T141 HydrophobicContact CE-CG2 3.43Å; M27-T141 VanDerWaalsContact CE-CG2 3.43Å; M27-T141 VanDerWaalsContact CE-O 3.26Å; M27-T141 WeakPolarHBondContact CE-O 3.33Å; M27-T141 HydrophobicContact SD-CG2 4.13Å; L47-T141 HydrophobicContact CB-CG2 4.04Å; T141-I144 WeakPolarHBondContact O-CB 3.25Å; T141-I144 PolarHBondContact O-N 2.98Å; T141-A145 PolarHBondContact O-N 2.95Å
142G90.4Very high91.4Very high0 Ų051.9 Ų51.90%024%0.244CC..Hα-helixtrans-65.9-49.8174.400000112.9E23 T140 I144 A145 I146E23-G142 VanDerWaalsContact CB-CA 3.48Å; E23-G142 VanDerWaalsContact CB-N 3.33Å; T140-G142 PolarHBondContact O-N 2.85Å; G142-I144 PolarHBondContact O-N 2.9Å; G142-A145 WeakPolarHBondContact O-CA 3.47Å; G142-A145 WeakPolarHBondContact O-CB 3.28Å; G142-A145 PolarHBondContact O-N 3.39Å; G142-I146 PolarHBondContact O-N 3.38Å
143I94.3Very high91.2Very high0 Ų042.1 Ų42.10%021%0.205CC..Hα-helixtrans-63.5-34.8174.8-62.7-50.5000111.1A119 L124 P139 T140 A145 I146 T147 E194 F197 L198A119-I143 HydrophobicContact CB-CG2 4.28Å; L124-I143 HydrophobicContact CD1-CG2 4.05Å; L124-I143 HydrophobicContact CD2-CG2 4.35Å; L124-I143 HydrophobicContact CG-CG2 4.21Å; P139-I143 HydrophobicContact CB-CB 4.37Å; P139-I143 HydrophobicContact CB-CG2 4.41Å; T140-I143 PolarHBondContact O-N 3.25Å; T140-I143 VanDerWaalsContact OG1-CG1 3.31Å; T140-I143 WeakPolarHBondContact OG1-CG1 3.28Å; T140-I143 PolarHBondContact OG1-N 3.03Å; I143-A145 VanDerWaalsContact C-N 3.32Å; I143-A145 PolarHBondContact O-N 2.86Å; I143-I146 HydrophobicContact CD1-CD1 4.12Å; I143-I146 PolarHBondContact O-N 3.39Å; I143-T147 WeakPolarHBondContact O-CB 3.42Å; I143-T147 PolarHBondContact O-N 2.65Å; I143-T147 PolarHBondContact O-OG1 2.79Å; I143-E194 HydrophobicContact CD1-CB 4.29Å; I143-E194 HydrophobicContact CG1-CB 4Å; I143-E194 HydrophobicContact CG1-CG 3.81Å; I143-F197 HydrophobicContact CD1-CD1 3.71Å; I143-F197 HydrophobicContact CD1-CE1 3.87Å; I143-F197 HydrophobicContact CG2-CD1 4.38Å; I143-F197 HydrophobicContact CG2-CE1 4.17Å; I143-L198 HydrophobicContact CD1-CD1 4.4Å; I143-L198 HydrophobicContact CD1-CD2 3.97Å; I143-L198 HydrophobicContact CD1-CG 4.02Å
144I95.3Very high90.9Very high0 Ų045.5 Ų45.50%022%0.215CC..Hα-helixtrans-63.1-39.7172.6-65.4166.6000110.8L47 T69 F71 L111 I115 I116 A119 P139 T140 T141 G142 T147 L148L47-I144 HydrophobicContact CD2-CG2 3.89Å; T69-I144 HydrophobicContact CG2-CD1 3.94Å; T69-I144 HydrophobicContact CG2-CG2 4.3Å; F71-I144 HydrophobicContact CE1-CD1 3.76Å; F71-I144 HydrophobicContact CZ-CD1 3.82Å; L111-I144 HydrophobicContact CD2-CG2 3.37Å; I115-I144 HydrophobicContact CG2-CG2 4.21Å; I116-I144 HydrophobicContact CG1-CD1 4.25Å; I116-I144 HydrophobicContact CG1-CG2 4.37Å; I116-I144 HydrophobicContact CG2-CD1 4.25Å; A119-I144 HydrophobicContact CB-CG1 4.33Å; P139-I144 HydrophobicContact CB-CD1 4.35Å; P139-I144 HydrophobicContact CB-CG1 3.98Å; T140-I144 VanDerWaalsContact O-CG1 3.32Å; T140-I144 WeakPolarHBondContact O-CG1 3.26Å; T140-I144 PolarHBondContact O-N 2.83Å; T141-I144 WeakPolarHBondContact O-CB 3.25Å; T141-I144 PolarHBondContact O-N 2.98Å; G142-I144 PolarHBondContact O-N 2.9Å; I144-T147 PolarHBondContact O-N 2.96Å; I144-L148 PolarHBondContact O-N 2.88Å
145A92.9Very high90.9Very high0 Ų045.6 Ų45.60%022%0.216CC..Hα-helixtrans-59-53173.100000111.4L20 M27 L47 T141 G142 I143 T147 L148 A149L20-A145 VanDerWaalsContact CD1-C 3.45Å; L20-A145 HydrophobicContact CD1-CB 4.19Å; L20-A145 WeakPolarHBondContact CD1-O 3.31Å; L20-A145 HydrophobicContact CD2-CB 3.94Å; M27-A145 HydrophobicContact CE-CB 3.13Å; M27-A145 HydrophobicContact SD-CB 3.4Å; M27-A145 WeakPolarHBondContact SD-CB 3.49Å; L47-A145 HydrophobicContact CD2-CB 4.49Å; T141-A145 PolarHBondContact O-N 2.95Å; G142-A145 WeakPolarHBondContact O-CA 3.47Å; G142-A145 WeakPolarHBondContact O-CB 3.28Å; G142-A145 PolarHBondContact O-N 3.39Å; I143-A145 VanDerWaalsContact C-N 3.32Å; I143-A145 PolarHBondContact O-N 2.86Å; A145-T147 PolarHBondContact O-N 3.34Å; A145-L148 WeakPolarHBondContact O-CA 3.33Å; A145-L148 WeakPolarHBondContact O-CB 3.43Å; A145-L148 PolarHBondContact O-N 2.01Å; A145-A149 PolarHBondContact O-N 3.29Å
146I93.2Very high91Very high0 Ų040.6 Ų40.60%019%0.194CC..Hα-helixtrans-54.5-46.5178.6-67.9174.5000110L20 G142 I143 L148 A149 F150 L158 F161 F197 L198 I201L20-I146 HydrophobicContact CD1-CB 4.31Å; L20-I146 HydrophobicContact CD1-CG1 4.02Å; G142-I146 PolarHBondContact O-N 3.38Å; I143-I146 HydrophobicContact CD1-CD1 4.12Å; I143-I146 PolarHBondContact O-N 3.39Å; I146-L148 PolarHBondContact O-N 3.04Å; I146-A149 PolarHBondContact O-N 3.35Å; I146-F150 HydrophobicContact CG2-CD2 4.11Å; I146-F150 HydrophobicContact CG2-CE1 4.4Å; I146-F150 HydrophobicContact CG2-CE2 3.59Å; I146-F150 HydrophobicContact CG2-CZ 3.75Å; I146-F150 PolarHBondContact O-N 3.47Å; I146-L158 HydrophobicContact CD1-CD1 3.86Å; I146-L158 HydrophobicContact CD1-CD2 3.93Å; I146-L158 HydrophobicContact CG1-CD2 3.77Å; I146-F161 HydrophobicContact CD1-CD1 3.51Å; I146-F161 HydrophobicContact CD1-CE1 3.31Å; I146-F161 HydrophobicContact CD1-CG 4.21Å; I146-F161 HydrophobicContact CD1-CZ 3.83Å; I146-F161 HydrophobicContact CG1-CD1 4.31Å; I146-F161 HydrophobicContact CG1-CE1 3.61Å; I146-F161 HydrophobicContact CG1-CZ 3.71Å; I146-F197 HydrophobicContact CG2-CE1 4.18Å; I146-F197 HydrophobicContact CG2-CZ 4.18Å; I146-L198 HydrophobicContact CD1-CD2 3.48Å; I146-L198 VanDerWaalsContact CD1-CD2 3.48Å; I146-I201 HydrophobicContact CG2-CD1 4.13Å
147T94.3Very high90.8Very high1 Ų138.4 Ų38.41%0.00618%0.178CC..Hα-helixtrans-59.6-46.8177.8-51.70000110.9I115 T118 A119 L123 I143 I144 A145 A149 F150 Y151I115-T147 HydrophobicContact CG2-CG2 3.88Å; T118-T147 HydrophobicContact CG2-CG2 3.89Å; A119-T147 HydrophobicContact CB-CG2 4.27Å; A119-T147 WeakPolarHBondContact CB-OG1 3.43Å; L123-T147 HydrophobicContact CD1-CG2 4.03Å; L123-T147 WeakPolarHBondContact CD1-OG1 2.91Å; I143-T147 WeakPolarHBondContact O-CB 3.42Å; I143-T147 PolarHBondContact O-N 2.65Å; I143-T147 PolarHBondContact O-OG1 2.79Å; I144-T147 PolarHBondContact O-N 2.96Å; A145-T147 PolarHBondContact O-N 3.34Å; T147-A149 PolarHBondContact O-N 2.93Å; T147-F150 PolarHBondContact O-N 2.8Å; T147-Y151 HydrophobicContact CG2-CE2 4.15Å; T147-Y151 WeakPolarHBondContact O-CD2 3.48Å
148L93.1Very high90.6Very high22 Ų2235.6 Ų35.612%0.11517%0.166CC..Hα-helixtrans-59.3-44.9175.6177.463000111.8L47 I67 L111 I115 I144 A145 I146 F150 Y151 I152L47-L148 HydrophobicContact CD1-CD2 4.08Å; L47-L148 HydrophobicContact CD2-CD2 4.42Å; I67-L148 HydrophobicContact CD1-CD2 3.77Å; L111-L148 HydrophobicContact CD1-CD1 3.99Å; L111-L148 HydrophobicContact CD1-CD2 3.98Å; L111-L148 HydrophobicContact CD1-CG 4.4Å; I115-L148 HydrophobicContact CD1-CD1 4.45Å; I115-L148 HydrophobicContact CG1-CD1 4.35Å; I115-L148 HydrophobicContact CG2-CB 4.07Å; I144-L148 PolarHBondContact O-N 2.88Å; A145-L148 WeakPolarHBondContact O-CA 3.33Å; A145-L148 WeakPolarHBondContact O-CB 3.43Å; A145-L148 PolarHBondContact O-N 2.01Å; I146-L148 PolarHBondContact O-N 3.04Å; L148-F150 VanDerWaalsContact C-N 3.32Å; L148-F150 PolarHBondContact O-N 3.14Å; L148-Y151 PolarHBondContact O-N 2.97Å; L148-I152 HydrophobicContact CD1-CD1 4.31Å; L148-I152 HydrophobicContact CD1-CG2 4.15Å; L148-I152 HydrophobicContact CD2-CD1 4.38Å; L148-I152 HydrophobicContact CG-CD1 3.96Å; L148-I152 PolarHBondContact O-N 3.17Å
149A91.9Very high90.2Very high2 Ų232.6 Ų32.62%0.01715%0.152CC..Hα-helixtrans-62.3-39-179.800000112.4L20 A145 I146 T147 Y151 I152 C153 V156L20-A149 HydrophobicContact CD1-CB 3.19Å; L20-A149 HydrophobicContact CD2-CB 4.17Å; L20-A149 HydrophobicContact CG-CB 3.67Å; A145-A149 PolarHBondContact O-N 3.29Å; I146-A149 PolarHBondContact O-N 3.35Å; T147-A149 PolarHBondContact O-N 2.93Å; A149-Y151 PolarHBondContact O-N 3.37Å; A149-I152 PolarHBondContact O-N 3.3Å; A149-C153 HydrophobicContact CB-CB 4.33Å; A149-C153 WeakPolarHBondContact O-CA 3.46Å; A149-C153 WeakPolarHBondContact O-CB 3.31Å; A149-C153 PolarHBondContact O-N 2.78Å; A149-C153 PolarHBondContact O-SG 3.25Å; A149-V156 HydrophobicContact CB-CG1 4.18Å; A149-V156 HydrophobicContact CB-CG2 3.83Å
150F92.1Very high89.6Confident71 Ų7134 Ų3431%0.31117%0.166SC..Hα-helixtrans-57.5-24.1173.9-70.3-31.7000113.9I146 T147 L148 V156 F197 I201 V207I146-F150 HydrophobicContact CG2-CD2 4.11Å; I146-F150 HydrophobicContact CG2-CE1 4.4Å; I146-F150 HydrophobicContact CG2-CE2 3.59Å; I146-F150 HydrophobicContact CG2-CZ 3.75Å; I146-F150 PolarHBondContact O-N 3.47Å; T147-F150 PolarHBondContact O-N 2.8Å; L148-F150 VanDerWaalsContact C-N 3.32Å; L148-F150 PolarHBondContact O-N 3.14Å; F150-V156 HydrophobicContact CD1-CG2 4.03Å; F150-V156 HydrophobicContact CE1-CG2 4.32Å; F150-F197 HydrophobicContact CE2-CZ 4.1Å; F150-I201 HydrophobicContact CZ-CD1 4.15Å; F150-I201 HydrophobicContact CZ-CG2 4.41Å; F150-V207 HydrophobicContact CE1-CG1 3.55Å; F150-V207 HydrophobicContact CZ-CG1 3.71Å
151Y90Very high89Confident125 Ų12534.3 Ų34.349%0.4917%0.168SC..Hα-helixtrans-89.1-22.5175.9-75.8-77.5000114.6F114 I115 T118 T147 L148 A149F114-Y151 AromaticContact CE1-CE1 3.87Å; F114-Y151 HydrophobicContact CE1-CE1 3.87Å; F114-Y151 HydrophobicContact CE1-CE2 4.1Å; F114-Y151 AromaticContact CE1-CZ 3.52Å; F114-Y151 WeakPolarHBondContact CE1-OH 3.33Å; F114-Y151 HydrophobicContact CZ-CE1 4.48Å; F114-Y151 WeakPolarHBondContact CZ-OH 2.83Å; I115-Y151 HydrophobicContact CD1-CD2 3.43Å; I115-Y151 VanDerWaalsContact CD1-CD2 3.43Å; I115-Y151 HydrophobicContact CD1-CE2 3.82Å; I115-Y151 HydrophobicContact CD1-CG 4.08Å; T118-Y151 HydrophobicContact CG2-CE2 4.27Å; T147-Y151 HydrophobicContact CG2-CE2 4.15Å; T147-Y151 WeakPolarHBondContact O-CD2 3.48Å; L148-Y151 PolarHBondContact O-N 2.97Å; A149-Y151 PolarHBondContact O-N 3.37Å
152I86.6Confident88.5Confident88 Ų8838.5 Ų38.545%0.45119%0.186SC..Hα-helixtrans-121.2-8-169.772.6177.9000114F45 L148 A149F45-I152 HydrophobicContact CD2-CD1 4.32Å; F45-I152 HydrophobicContact CE2-CD1 3.86Å; F45-I152 HydrophobicContact CZ-CD1 4.29Å; L148-I152 HydrophobicContact CD1-CD1 4.31Å; L148-I152 HydrophobicContact CD1-CG2 4.15Å; L148-I152 HydrophobicContact CD2-CD1 4.38Å; L148-I152 HydrophobicContact CG-CD1 3.96Å; L148-I152 PolarHBondContact O-N 3.17Å; A149-I152 PolarHBondContact O-N 3.3Å
153C85.3Confident88Confident20 Ų2039 Ų3914%0.13519%0.188CC..  trans-120.1143.4-172.5-55.60000111.2C18 A149 V156C18-C153 HydrophobicContact CB-CB 3.26Å; C18-C153 WeakPolarHBondContact CB-SG 3.38Å; C18-C153 VanDerWaalsContact SG-CA 3.5Å; C18-C153 WeakPolarHBondContact SG-CB 2.96Å; C18-C153 CovalentContact SG-SG 2.01Å; C18-C153 PolarHBondContact SG-SG 2.91Å; A149-C153 HydrophobicContact CB-CB 4.33Å; A149-C153 WeakPolarHBondContact O-CA 3.46Å; A149-C153 WeakPolarHBondContact O-CB 3.31Å; A149-C153 PolarHBondContact O-N 2.78Å; A149-C153 PolarHBondContact O-SG 3.25Å; C153-V156 HydrophobicContact CB-CG2 3.98Å
154H83.2Confident87.3Confident210 Ų21042.2 Ų42.297%0.97221%0.205SC*.SBendtrans-79.5-34.7173-64.5-53.2000112.5
155E87.8Confident86.5Confident110 Ų11045.9 Ų45.951%0.51422%0.221SC..SBendtrans-136.4140.8179.1-175.6171.582.100108.2H157 I208E155-H157 IonicContact OE1-CE1 3.27Å; E155-H157 PolarHBondContact OE1-CE1 2.92Å; E155-H157 IonicContact OE1-NE2 2.81Å; E155-H157 PolarHBondContact OE1-NE2 2.85Å; E155-I208 VanDerWaalsContact CD-CD1 3.42Å; E155-I208 HydrophobicContact CG-CD1 3.79Å; E155-I208 WeakPolarHBondContact OE2-CD1 3.45Å
156V88.6Confident85.9Confident6 Ų651.7 Ų51.74%0.03626%0.262CS..  trans-124.7114.6-177.4-178.50000108.8L20 A149 F150 C153 L158 V207 I208L20-V156 HydrophobicContact CD1-CG1 4.05Å; A149-V156 HydrophobicContact CB-CG1 4.18Å; A149-V156 HydrophobicContact CB-CG2 3.83Å; F150-V156 HydrophobicContact CD1-CG2 4.03Å; F150-V156 HydrophobicContact CE1-CG2 4.32Å; C153-V156 HydrophobicContact CB-CG2 3.98Å; V156-L158 HydrophobicContact CG1-CD2 3.76Å; V156-L158 HydrophobicContact CG1-CG 4.5Å; V156-V207 HydrophobicContact CB-CG1 4.09Å; V156-V207 HydrophobicContact CG1-CG1 4.11Å; V156-V207 WeakPolarHBondContact O-CA 3.44Å; V156-V207 WeakPolarHBondContact O-CB 3.24Å; V156-I208 PolarHBondContact O-N 2.96Å
157H86.8Confident85.5Confident24 Ų2455.1 Ų55.111%0.11128%0.28CS..EExtended strand (participates in β ladder)trans-94.8134.8170-59.5100.1000109.8D19 L20 E155 I208 L210D19-H157 IonicContact OD1-CE1 3.75Å; D19-H157 IonicContact OD1-CG 2.85Å; D19-H157 IonicContact OD1-ND1 3.86Å; D19-H157 PolarHBondContact OD1-ND1 2.96Å; L20-H157 PolarHBondContact N-O 3Å; E155-H157 IonicContact OE1-CE1 3.27Å; E155-H157 PolarHBondContact OE1-CE1 2.92Å; E155-H157 IonicContact OE1-NE2 2.81Å; E155-H157 PolarHBondContact OE1-NE2 2.85Å; H157-I208 CarbonylContact C-O 3.59Å; H157-I208 WeakPolarHBondContact CA-O 3.39Å; H157-I208 VanDerWaalsContact CD2-CB 3.49Å; H157-I208 WeakPolarHBondContact CD2-CB 3.38Å; H157-I208 WeakPolarHBondContact NE2-CD1 3.18Å; H157-L210 HydrophobicContact CB-CD1 3.77Å; H157-L210 HydrophobicContact CB-CG 4.17Å
158L87.2Confident84.9Confident0 Ų058.9 Ų58.90%030%0.3CS..EExtended strand (participates in β ladder)trans-113.8129.4176.9-58.1-173000110.5L20 I146 V156 F161 L198 I201 V207 I208 N209 L210L20-L158 HydrophobicContact CB-CD2 4.27Å; I146-L158 HydrophobicContact CD1-CD1 3.86Å; I146-L158 HydrophobicContact CD1-CD2 3.93Å; I146-L158 HydrophobicContact CG1-CD2 3.77Å; V156-L158 HydrophobicContact CG1-CD2 3.76Å; V156-L158 HydrophobicContact CG1-CG 4.5Å; L158-F161 HydrophobicContact CB-CD2 3.77Å; L158-F161 HydrophobicContact CB-CE2 4.23Å; L158-F161 HydrophobicContact CB-CG 4.47Å; L158-F161 HydrophobicContact CD2-CD2 4.01Å; L158-F161 HydrophobicContact CD2-CE2 3.7Å; L158-F161 HydrophobicContact CD2-CZ 4.12Å; L158-F161 HydrophobicContact CG-CD2 4.3Å; L158-F161 HydrophobicContact CG-CE2 4.47Å; L158-L198 HydrophobicContact CD1-CD2 4.21Å; L158-I201 HydrophobicContact CD1-CD1 4.09Å; L158-V207 HydrophobicContact CD1-CB 4.06Å; L158-V207 HydrophobicContact CD1-CG1 4.16Å; L158-V207 HydrophobicContact CD1-CG2 3.7Å; L158-V207 HydrophobicContact CG-CB 4.06Å; L158-V207 HydrophobicContact CG-CG1 4.3Å; L158-V207 HydrophobicContact CG-CG2 4.16Å; L158-I208 PolarHBondContact N-O 3.47Å; L158-N209 PolarHBondContact O-OD1 3.1Å; L158-L210 WeakPolarHBondContact O-CB 3.08Å; L158-L210 PolarHBondContact O-N 3.19Å
159A83.4Confident84.5Confident1 Ų166.2 Ų66.21%0.00833%0.331CS..EExtended strand (participates in β ladder)trans-130.8136168.800000109.6F8 F21 D22 F161 L210 T211F8-A159 HydrophobicContact CE1-CB 4.38Å; F8-A159 HydrophobicContact CZ-CB 4.17Å; F21-A159 HydrophobicContact CD1-CB 4.01Å; F21-A159 HydrophobicContact CE1-CB 4.33Å; D22-A159 PolarHBondContact N-O 3.41Å; D22-A159 VanDerWaalsContact N-O 3.15Å; A159-F161 VanDerWaalsContact C-N 3.34Å; A159-F161 WeakPolarHBondContact O-CD2 3.14Å; A159-F161 PolarHBondContact O-N 3.02Å; A159-L210 HydrophobicContact CB-CB 4.3Å; A159-T211 WeakPolarHBondContact CA-OG1 3.26Å
160G81.3Confident84.2Confident30 Ų3066.6 Ų66.631%0.30933%0.333SS..SBendtrans89.5-16.7176.800000115.5D22 K162 T211D22-G160 VanDerWaalsContact OD2-C 3.26Å; G160-K162 PolarHBondContact O-N 3.03Å; G160-T211 PolarHBondContact N-OG1 2.93Å
161F81Confident83.8Confident7 Ų767.9 Ų67.93%0.03135%0.349CS..  trans-7175.7-177.2-67.3-96.1000113.8L20 D22 I146 L158 A159 L198L20-F161 HydrophobicContact CB-CE2 4.36Å; L20-F161 HydrophobicContact CB-CZ 4.34Å; D22-F161 HydrophobicContact CB-CD1 4.07Å; D22-F161 HydrophobicContact CB-CD2 3.75Å; D22-F161 HydrophobicContact CB-CE1 4.17Å; D22-F161 HydrophobicContact CB-CE2 3.88Å; D22-F161 HydrophobicContact CB-CG 3.89Å; D22-F161 HydrophobicContact CB-CZ 4.13Å; D22-F161 VanDerWaalsContact CG-CD1 3.41Å; D22-F161 VanDerWaalsContact N-CE2 3.27Å; D22-F161 WeakPolarHBondContact OD1-CD1 3.2Å; D22-F161 WeakPolarHBondContact OD1-CE1 3.46Å; D22-F161 VanDerWaalsContact OD2-CA 3.23Å; D22-F161 WeakPolarHBondContact OD2-CA 3.49Å; D22-F161 PolarHBondContact OD2-N 3.34Å; I146-F161 HydrophobicContact CD1-CD1 3.51Å; I146-F161 HydrophobicContact CD1-CE1 3.31Å; I146-F161 HydrophobicContact CD1-CG 4.21Å; I146-F161 HydrophobicContact CD1-CZ 3.83Å; I146-F161 HydrophobicContact CG1-CD1 4.31Å; I146-F161 HydrophobicContact CG1-CE1 3.61Å; I146-F161 HydrophobicContact CG1-CZ 3.71Å; L158-F161 HydrophobicContact CB-CD2 3.77Å; L158-F161 HydrophobicContact CB-CE2 4.23Å; L158-F161 HydrophobicContact CB-CG 4.47Å; L158-F161 HydrophobicContact CD2-CD2 4.01Å; L158-F161 HydrophobicContact CD2-CE2 3.7Å; L158-F161 HydrophobicContact CD2-CZ 4.12Å; L158-F161 HydrophobicContact CG-CD2 4.3Å; L158-F161 HydrophobicContact CG-CE2 4.47Å; A159-F161 VanDerWaalsContact C-N 3.34Å; A159-F161 WeakPolarHBondContact O-CD2 3.14Å; A159-F161 PolarHBondContact O-N 3.02Å; F161-L198 HydrophobicContact CB-CD1 4.13Å; F161-L198 HydrophobicContact CB-CD2 3.98Å; F161-L198 HydrophobicContact CD1-CD2 4.14Å; F161-L198 HydrophobicContact CG-CD2 4.37Å
162K80Confident83.4Confident91 Ų9162.8 Ų62.840%0.39633%0.33SS..  trans-150.1136.1177.6-176.3172.9177.9173.30111.3G160 D213G160-K162 PolarHBondContact O-N 3.03Å; K162-D213 IonicContact NZ-OD1 2.79Å; K162-D213 PolarHBondContact NZ-OXT 3.38Å
163Y79.7Confident83Confident10 Ų1060.4 Ų60.44%0.03932%0.317CS..  trans-107.4122.4170.2-56.2-69.7000110.1F24 F165 M180 V191 E194 Q195 L198F24-Y163 AromaticContact CE2-CE1 3.95Å; F24-Y163 HydrophobicContact CE2-CE1 3.95Å; F24-Y163 HydrophobicContact CZ-CE1 4.16Å; Y163-F165 HydrophobicContact CD2-CZ 4.38Å; Y163-F165 HydrophobicContact CG-CE2 4.45Å; Y163-F165 HydrophobicContact CG-CZ 4.14Å; Y163-F165 PolarHBondContact O-N 3.37Å; Y163-M180 HydrophobicContact CD1-CE 4.15Å; Y163-M180 HydrophobicContact CD1-SD 3.99Å; Y163-M180 HydrophobicContact CG-CE 4.36Å; Y163-V191 HydrophobicContact CD1-CG1 4.48Å; Y163-V191 HydrophobicContact CD2-CB 4.46Å; Y163-V191 HydrophobicContact CE1-CG1 4.2Å; Y163-E194 HydrophobicContact CE2-CB 4.05Å; Y163-E194 PolarHBondContact OH-OE2 2.93Å; Y163-E194 VanDerWaalsContact OH-OE2 3.1Å; Y163-Q195 HydrophobicContact CD2-CB 4.14Å; Y163-Q195 PolarHBondContact O-OE1 3.19Å; Y163-L198 HydrophobicContact CE2-CD1 4.15Å
164N79.8Confident82.6Confident68 Ų6862 Ų6236%0.36432%0.32SS..  trans-91.590.2172.6-174.5-3.5000110.6S166 D167N164-S166 VanDerWaalsContact C-N 3.27Å; N164-S166 PolarHBondContact O-N 3.14Å; N164-S166 WeakPolarHBondContact OD1-CB 3.47Å; N164-S166 PolarHBondContact OD1-N 3.18Å; N164-S166 VanDerWaalsContact OD1-N 3.16Å; N164-D167 PolarHBondContact OD1-N 3.45Å
165F78.5Confident82.4Confident78 Ų7853.4 Ų53.434%0.34228%0.279SS..THydrogen-bonded Turntrans-71.2-20.3178.3-65-70.3000114.3Y163 D167 M180 V191 Q195Y163-F165 HydrophobicContact CD2-CZ 4.38Å; Y163-F165 HydrophobicContact CG-CE2 4.45Å; Y163-F165 HydrophobicContact CG-CZ 4.14Å; Y163-F165 PolarHBondContact O-N 3.37Å; F165-D167 VanDerWaalsContact C-N 3.28Å; F165-D167 PolarHBondContact O-N 2.93Å; F165-M180 HydrophobicContact CD1-CE 3.84Å; F165-M180 HydrophobicContact CE1-CE 3.69Å; F165-M180 HydrophobicContact CZ-CE 4.35Å; F165-V191 HydrophobicContact CE1-CB 4.09Å; F165-V191 HydrophobicContact CE1-CG2 3.5Å; F165-V191 VanDerWaalsContact CE1-CG2 3.5Å; F165-V191 HydrophobicContact CZ-CB 3.87Å; F165-V191 HydrophobicContact CZ-CG2 3.77Å; F165-Q195 HydrophobicContact CE2-CB 3.74Å; F165-Q195 HydrophobicContact CE2-CG 3.86Å; F165-Q195 HydrophobicContact CZ-CB 4.34Å
166S81.1Confident82.2Confident122 Ų12251.1 Ų51.185%0.85329%0.285SS*.THydrogen-bonded Turntrans-74.6-21.1-178.6-57.30000112.5N164N164-S166 VanDerWaalsContact C-N 3.27Å; N164-S166 PolarHBondContact O-N 3.14Å; N164-S166 WeakPolarHBondContact OD1-CB 3.47Å; N164-S166 PolarHBondContact OD1-N 3.18Å; N164-S166 VanDerWaalsContact OD1-N 3.16Å
167D83.6Confident82Confident72 Ų7258.6 Ų58.639%0.38533%0.325SS..  trans-129.299.4178.1-178.912.3000111.3N164 F165 K169 S170N164-D167 PolarHBondContact OD1-N 3.45Å; F165-D167 VanDerWaalsContact C-N 3.28Å; F165-D167 PolarHBondContact O-N 2.93Å; D167-K169 PolarHBondContact O-N 3.03Å; D167-K169 VanDerWaalsContact O-N 3.1Å; D167-K169 WeakPolarHBondContact OD1-CA 2.93Å; D167-K169 WeakPolarHBondContact OD1-CB 3.32Å; D167-K169 PolarHBondContact OD1-N 2.96Å; D167-S170 VanDerWaalsContact O-CB 3.25Å; D167-S170 WeakPolarHBondContact O-CB 3.24Å; D167-S170 PolarHBondContact O-N 3.27Å; D167-S170 PolarHBondContact O-OG 3.18Å; D167-S170 VanDerWaalsContact O-OG 3.08Å; D167-S170 PolarHBondContact OD2-N 2.81Å
168L82.7Confident81.8Confident80 Ų8058.6 Ų58.642%0.41933%0.33SS..THydrogen-bonded Turntrans-63.2-15.7176.5-66177.6000113.8T179 S181 N184L168-T179 WeakPolarHBondContact O-CB 3.47Å; L168-T179 PolarHBondContact O-OG1 3.14Å; L168-S181 PolarHBondContact O-N 2.78Å; L168-N184 HydrophobicContact CD2-CB 4.22Å
169K84.9Confident81.8Confident176 Ų17660.5 Ų60.577%0.76534%0.341SS*.THydrogen-bonded Turntrans-90-7.1174.6-62.3-176.7179.51790112.5D167 T179D167-K169 PolarHBondContact O-N 3.03Å; D167-K169 VanDerWaalsContact O-N 3.1Å; D167-K169 WeakPolarHBondContact OD1-CA 2.93Å; D167-K169 WeakPolarHBondContact OD1-CB 3.32Å; D167-K169 PolarHBondContact OD1-N 2.96Å; K169-T179 WeakPolarHBondContact O-CG2 3.38Å
170S85Confident81.7Confident10 Ų1060.7 Ų60.77%0.0734%0.342CS..SBendtrans-59143.3177.579.80000109.6D167 L172 T179 M180D167-S170 VanDerWaalsContact O-CB 3.25Å; D167-S170 WeakPolarHBondContact O-CB 3.24Å; D167-S170 PolarHBondContact O-N 3.27Å; D167-S170 PolarHBondContact O-OG 3.18Å; D167-S170 VanDerWaalsContact O-OG 3.08Å; D167-S170 PolarHBondContact OD2-N 2.81Å; S170-L172 PolarHBondContact O-N 3.23Å; S170-T179 VanDerWaalsContact O-CA 3.23Å; S170-T179 WeakPolarHBondContact O-CA 3.42Å; S170-T179 WeakPolarHBondContact O-CB 3.26Å; S170-M180 PolarHBondContact O-N 2.75Å; S170-M180 VanDerWaalsContact O-N 3.07Å; S170-M180 WeakPolarHBondContact OG-CG 2.95Å
171P84.2Confident81.7Confident97 Ų9761 Ų6163%0.6334%0.34SS*.BIsolated β-bridgetrans-57.6137.9175.124.6-32.6000109.4H173P171-H173 WeakPolarHBondContact CB-O 3.27Å
172L79.9Confident81.7Confident18 Ų1865.5 Ų65.59%0.09436%0.363CS..SBendtrans-82.3-29.5173.4-178.264.1000111.1F24 S170 A178 M180 M183F24-L172 WeakPolarHBondContact CD2-O 3.49Å; F24-L172 HydrophobicContact CZ-CD1 4.32Å; F24-L172 HydrophobicContact CZ-CG 4.48Å; S170-L172 PolarHBondContact O-N 3.23Å; L172-A178 HydrophobicContact CB-CB 4.2Å; L172-A178 WeakPolarHBondContact CB-O 3.28Å; L172-A178 HydrophobicContact CD2-CB 4.24Å; L172-A178 PolarHBondContact N-O 2.65Å; L172-M180 HydrophobicContact CD1-SD 3.61Å; L172-M183 HydrophobicContact CD1-CB 4.16Å; L172-M183 HydrophobicContact CD1-CG 3.31Å; L172-M183 HydrophobicContact CD2-CG 3.47Å; L172-M183 VanDerWaalsContact CD2-CG 3.47Å; L172-M183 HydrophobicContact CD2-SD 4.23Å; L172-M183 HydrophobicContact CG-CG 4.01Å
173H79.7Confident81.5Confident39 Ų3962 Ų6218%0.18135%0.349CS..SBendtrans-134.3155.8179-42.5-42.6000108.5F24 P171 Y175F24-H173 HydrophobicContact CB-CB 4.05Å; F24-H173 AromaticContact CD1-CE1 2.98Å; F24-H173 WeakPolarHBondContact CD1-CE1 3.15Å; F24-H173 AromaticContact CD1-CG 3.9Å; F24-H173 AromaticContact CD1-ND1 2.78Å; F24-H173 WeakPolarHBondContact CD1-ND1 3.45Å; F24-H173 AromaticContact CD2-ND1 3.83Å; F24-H173 AromaticContact CE1-CE1 3.09Å; F24-H173 WeakPolarHBondContact CE1-CE1 3.34Å; F24-H173 AromaticContact CE1-ND1 3.31Å; F24-H173 VanDerWaalsContact CE1-ND1 3.31Å; F24-H173 WeakPolarHBondContact CE1-ND1 3.25Å; F24-H173 HydrophobicContact CG-CB 4.46Å; F24-H173 AromaticContact CG-CE1 3.78Å; F24-H173 AromaticContact CG-ND1 3.07Å; F24-H173 WeakPolarHBondContact CG-ND1 3.33Å; F24-H173 AromaticContact CZ-CE1 3.97Å; P171-H173 WeakPolarHBondContact CB-O 3.27Å; H173-Y175 HydrophobicContact CB-CD1 3.58Å; H173-Y175 HydrophobicContact CB-CE1 3.59Å; H173-Y175 HydrophobicContact CB-CG 4.42Å; H173-Y175 WeakPolarHBondContact CB-O 3.25Å; H173-Y175 AromaticContact CG-CE1 3.9Å; H173-Y175 PolarHBondContact O-N 2.91Å
174Y76.5Confident81.2Confident52 Ų5266.8 Ų66.820%0.20438%0.375CS..SBendtrans-64.8-13.6169.970.7-71.7000113.2F24 D25 G30 P31 H35 E38 V39F24-Y174 VanDerWaalsContact O-CE1 3.25Å; F24-Y174 WeakPolarHBondContact O-CE1 3.44Å; D25-Y174 HydrophobicContact CB-CD1 4.5Å; D25-Y174 HydrophobicContact CB-CE1 4.15Å; D25-Y174 PolarHBondContact O-OH 2.96Å; D25-Y174 WeakPolarHBondContact OD1-CD1 3.45Å; D25-Y174 VanDerWaalsContact OD1-CE1 3.31Å; D25-Y174 WeakPolarHBondContact OD1-CE1 3.47Å; G30-Y174 WeakPolarHBondContact CA-OH 3.4Å; P31-Y174 VanDerWaalsContact CD-OH 3.26Å; P31-Y174 WeakPolarHBondContact CD-OH 3.5Å; P31-Y174 VanDerWaalsContact N-OH 3.1Å; P31-Y174 WeakPolarHBondContact O-CE2 3.46Å; P31-Y174 PolarHBondContact O-OH 3.13Å; H35-Y174 HydrophobicContact CB-CD2 3.9Å; H35-Y174 HydrophobicContact CB-CE2 3.47Å; H35-Y174 VanDerWaalsContact CB-CE2 3.47Å; H35-Y174 AromaticContact CD2-CE2 3.98Å; H35-Y174 AromaticContact CG-CD2 3.73Å; H35-Y174 AromaticContact CG-CE2 3.44Å; H35-Y174 VanDerWaalsContact CG-CE2 3.44Å; H35-Y174 AromaticContact ND1-CD2 3.42Å; H35-Y174 WeakPolarHBondContact ND1-CD2 3.47Å; H35-Y174 AromaticContact ND1-CE2 3.64Å; E38-Y174 WeakPolarHBondContact OE2-CD2 3.3Å; V39-Y174 HydrophobicContact CG1-CD1 4.22Å; V39-Y174 HydrophobicContact CG1-CD2 3.9Å; V39-Y174 HydrophobicContact CG1-CE1 4.01Å; V39-Y174 HydrophobicContact CG1-CE2 3.57Å; V39-Y174 HydrophobicContact CG1-CG 4.21Å
175Y79.4Confident81.1Confident30 Ų3071.2 Ų71.212%0.11839%0.391CS..SBendtrans-120155.5177.473.9-73.3000112.1F24 N29 G30 P31 H173F24-Y175 VanDerWaalsContact O-CE1 3.28Å; F24-Y175 WeakPolarHBondContact O-CE1 3.42Å; N29-Y175 WeakPolarHBondContact O-CE2 3.48Å; N29-Y175 PolarHBondContact OD1-OH 2.94Å; G30-Y175 PolarHBondContact N-OH 3.06Å; P31-Y175 HydrophobicContact CG-CD2 4.01Å; P31-Y175 HydrophobicContact CG-CG 3.95Å; H173-Y175 HydrophobicContact CB-CD1 3.58Å; H173-Y175 HydrophobicContact CB-CE1 3.59Å; H173-Y175 HydrophobicContact CB-CG 4.42Å; H173-Y175 WeakPolarHBondContact CB-O 3.25Å; H173-Y175 AromaticContact CG-CE1 3.9Å; H173-Y175 PolarHBondContact O-N 2.91Å
176G83.2Confident81Confident62 Ų6270.2 Ų70.264%0.63939%0.389SS*.SBendtrans67.3-168.5179.200000113.6
177N83.8Confident80.9Confident164 Ų16466.7 Ų66.788%0.87737%0.367SS*.SBendtrans-116.213.3-170.4-61.8-20.7000113.1
178A83.6Confident81Confident24 Ų2467.6 Ų67.620%0.19837%0.366CS..  trans-70.4138.6178.300000109.9L172 L182L172-A178 HydrophobicContact CB-CB 4.2Å; L172-A178 WeakPolarHBondContact CB-O 3.28Å; L172-A178 HydrophobicContact CD2-CB 4.24Å; L172-A178 PolarHBondContact N-O 2.65Å; A178-L182 HydrophobicContact CB-CD1 3.79Å
179T85.7Confident81.2Confident40 Ų4065.1 Ų65.125%0.24535%0.352CS..BIsolated β-bridgetrans-123.1166-179.163.40000111.5L168 K169 S170 S181 L182L168-T179 WeakPolarHBondContact O-CB 3.47Å; L168-T179 PolarHBondContact O-OG1 3.14Å; K169-T179 WeakPolarHBondContact O-CG2 3.38Å; S170-T179 VanDerWaalsContact O-CA 3.23Å; S170-T179 WeakPolarHBondContact O-CA 3.42Å; S170-T179 WeakPolarHBondContact O-CB 3.26Å; T179-S181 PolarHBondContact O-N 3.33Å; T179-L182 WeakPolarHBondContact O-CB 3.44Å; T179-L182 PolarHBondContact O-N 3Å
180M82.4Confident81.4Confident4 Ų459.6 Ų59.62%0.0233%0.331CS..Hα-helixtrans-53.9-24.6175.5-77.2-60.3-6100113.5Y163 F165 S170 L172 L182 M183 N184Y163-M180 HydrophobicContact CD1-CE 4.15Å; Y163-M180 HydrophobicContact CD1-SD 3.99Å; Y163-M180 HydrophobicContact CG-CE 4.36Å; F165-M180 HydrophobicContact CD1-CE 3.84Å; F165-M180 HydrophobicContact CE1-CE 3.69Å; F165-M180 HydrophobicContact CZ-CE 4.35Å; S170-M180 PolarHBondContact O-N 2.75Å; S170-M180 VanDerWaalsContact O-N 3.07Å; S170-M180 WeakPolarHBondContact OG-CG 2.95Å; L172-M180 HydrophobicContact CD1-SD 3.61Å; M180-L182 VanDerWaalsContact C-N 3.25Å; M180-L182 PolarHBondContact O-N 2.88Å; M180-M183 PolarHBondContact O-N 3.45Å; M180-N184 WeakPolarHBondContact O-CB 3.24Å; M180-N184 PolarHBondContact O-N 3.3Å
181S81.9Confident81.4Confident38 Ų3859.6 Ų59.627%0.26633%0.331SS..Hα-helixtrans-55.3-36.8171.2-166.40000113.4L168 T179 K185L168-S181 PolarHBondContact O-N 2.78Å; T179-S181 PolarHBondContact O-N 3.33Å; S181-K185 WeakPolarHBondContact O-CG 3.39Å; S181-K185 PolarHBondContact O-N 3.27Å
182L79.6Confident81.7Confident101 Ų10158.9 Ų58.953%0.52932%0.324SS..Hα-helixtrans-70.3-44178.3-72.4170.4000111.6A178 T179 M180 K185 N186A178-L182 HydrophobicContact CB-CD1 3.79Å; T179-L182 WeakPolarHBondContact O-CB 3.44Å; T179-L182 PolarHBondContact O-N 3Å; M180-L182 VanDerWaalsContact C-N 3.25Å; M180-L182 PolarHBondContact O-N 2.88Å; L182-K185 PolarHBondContact O-N 3.01Å; L182-N186 PolarHBondContact O-N 2.98Å
183M76.6Confident82.2Confident17 Ų1758.9 Ų58.98%0.08433%0.327CS..Hα-helixtrans-66-39176.7-79-56-74.300112.3T140 L172 M180 K185 N186 H189 V191T140-M183 HydrophobicContact CG2-CE 4.37Å; L172-M183 HydrophobicContact CD1-CB 4.16Å; L172-M183 HydrophobicContact CD1-CG 3.31Å; L172-M183 HydrophobicContact CD2-CG 3.47Å; L172-M183 VanDerWaalsContact CD2-CG 3.47Å; L172-M183 HydrophobicContact CD2-SD 4.23Å; L172-M183 HydrophobicContact CG-CG 4.01Å; M180-M183 PolarHBondContact O-N 3.45Å; M183-K185 PolarHBondContact O-N 3.41Å; M183-N186 WeakPolarHBondContact O-CB 3.09Å; M183-N186 PolarHBondContact O-N 3.46Å; M183-N186 HydrophobicContact SD-CB 4.45Å; M183-H189 HydrophobicContact CE-CB 3.82Å; M183-V191 HydrophobicContact CB-CG1 4.43Å; M183-V191 HydrophobicContact CE-CG1 3.25Å
184N74Confident82.9Confident111 Ų11157 Ų5759%0.59432%0.319SS*.Hα-helixtrans-63-30.6176.9-165.338000112.2L168 M180L168-N184 HydrophobicContact CD2-CB 4.22Å; M180-N184 WeakPolarHBondContact O-CB 3.24Å; M180-N184 PolarHBondContact O-N 3.3Å
185K76.3Confident83.5Confident161 Ų16157 Ų5770%0.732%0.32SS*.Hα-helixtrans-80.9-19.5172.7-69.5174-174.4177.70113.1S181 L182 M183 A187S181-K185 WeakPolarHBondContact O-CG 3.39Å; S181-K185 PolarHBondContact O-N 3.27Å; L182-K185 PolarHBondContact O-N 3.01Å; M183-K185 PolarHBondContact O-N 3.41Å; K185-A187 PolarHBondContact O-N 3.03Å; K185-A187 VanDerWaalsContact O-N 3.11Å
186N76.8Confident84.2Confident56 Ų5660.9 Ų60.930%0.29934%0.343SS..  trans-75.4102.3-178.9-170.6-17000110.4L182 M183 Y188 H189L182-N186 PolarHBondContact O-N 2.98Å; M183-N186 WeakPolarHBondContact O-CB 3.09Å; M183-N186 PolarHBondContact O-N 3.46Å; M183-N186 HydrophobicContact SD-CB 4.45Å; N186-Y188 PolarHBondContact O-N 3.08Å; N186-Y188 WeakPolarHBondContact OD1-CB 3.34Å; N186-Y188 PolarHBondContact OD1-N 2.8Å; N186-H189 PolarHBondContact ND2-CD2 3.43Å; N186-H189 VanDerWaalsContact ND2-CD2 3.26Å
187A79.6Confident84.7Confident48 Ų4858.8 Ų58.840%0.39732%0.316SS..THydrogen-bonded Turntrans-73-2.2-178.900000114.3K135 K137 K185K135-A187 HydrophobicContact CB-CB 4.1Å; K135-A187 HydrophobicContact CG-CB 3.9Å; K137-A187 WeakPolarHBondContact CD-O 3.03Å; K137-A187 VanDerWaalsContact CE-O 3.29Å; K137-A187 WeakPolarHBondContact CE-O 3.41Å; K137-A187 PolarHBondContact NZ-O 3.31Å; K185-A187 PolarHBondContact O-N 3.03Å; K185-A187 VanDerWaalsContact O-N 3.11Å
188Y86.3Confident85.2Confident92 Ų9251 Ų5136%0.36127%0.274SS..THydrogen-bonded Turntrans-95.5-12.6-178.6-68.5-81000114.9K135 P136 K137 H138 N186K135-Y188 HydrophobicContact CB-CD1 4.06Å; K135-Y188 HydrophobicContact CB-CE1 3.94Å; K135-Y188 HydrophobicContact CD-CE1 4.1Å; K135-Y188 HydrophobicContact CG-CE1 4.28Å; P136-Y188 HydrophobicContact CG-CE1 4.38Å; P136-Y188 WeakPolarHBondContact O-CD1 3.25Å; K137-Y188 CarbonylContact C-O 3.01Å; K137-Y188 WeakPolarHBondContact CA-O 3.41Å; H138-Y188 VanDerWaalsContact CE1-CB 3.44Å; H138-Y188 WeakPolarHBondContact CE1-CB 3.21Å; H138-Y188 PolarHBondContact N-O 2.79Å; N186-Y188 PolarHBondContact O-N 3.08Å; N186-Y188 WeakPolarHBondContact OD1-CB 3.34Å; N186-Y188 PolarHBondContact OD1-N 2.8Å
189H85.7Confident85.6Confident28 Ų2855 Ų5513%0.1329%0.287CS..  trans-110.5158173.9-56.8-65.7000110.8K137 H138 M183 N186 V191K137-H189 PolarHBondContact NZ-O 2.67Å; H138-H189 AromaticContact CD2-CE1 3.34Å; H138-H189 PolarHBondContact CD2-CE1 3.5Å; H138-H189 AromaticContact CD2-ND1 3.81Å; H138-H189 AromaticContact NE2-CE1 3.2Å; H138-H189 PolarHBondContact NE2-CE1 2.94Å; H138-H189 AromaticContact NE2-ND1 3.95Å; H138-H189 AromaticContact NE2-NE2 3.8Å; H138-H189 PolarHBondContact O-ND1 2.87Å; M183-H189 HydrophobicContact CE-CB 3.82Å; N186-H189 PolarHBondContact ND2-CD2 3.43Å; N186-H189 VanDerWaalsContact ND2-CD2 3.26Å; H189-V191 HydrophobicContact CB-CG1 4.38Å
190N88.6Confident86.1Confident59 Ų5956.1 Ų56.132%0.31629%0.292SS..  trans-120.974169.5-174.7-6.3000108.1F126 T192 A193 E194F126-N190 HydrophobicContact CE1-CB 3.7Å; F126-N190 HydrophobicContact CZ-CB 3.76Å; N190-T192 PolarHBondContact O-N 3.07Å; N190-T192 VanDerWaalsContact O-N 3.12Å; N190-T192 PolarHBondContact OD1-N 3.16Å; N190-A193 HydrophobicContact CB-CB 4.13Å; N190-A193 WeakPolarHBondContact O-CB 3.09Å; N190-A193 PolarHBondContact O-N 2.85Å; N190-A193 PolarHBondContact OD1-N 2.96Å; N190-E194 PolarHBondContact O-N 3.41Å; N190-E194 VanDerWaalsContact O-N 3.09Å
191V86.7Confident86.7Confident11 Ų1156.1 Ų56.17%0.06729%0.292CS..Hα-helixtrans-58.1-25.1-178.5-710000113Y163 F165 M183 H189 E194 Q195Y163-V191 HydrophobicContact CD1-CG1 4.48Å; Y163-V191 HydrophobicContact CD2-CB 4.46Å; Y163-V191 HydrophobicContact CE1-CG1 4.2Å; F165-V191 HydrophobicContact CE1-CB 4.09Å; F165-V191 HydrophobicContact CE1-CG2 3.5Å; F165-V191 VanDerWaalsContact CE1-CG2 3.5Å; F165-V191 HydrophobicContact CZ-CB 3.87Å; F165-V191 HydrophobicContact CZ-CG2 3.77Å; M183-V191 HydrophobicContact CB-CG1 4.43Å; M183-V191 HydrophobicContact CE-CG1 3.25Å; H189-V191 HydrophobicContact CB-CG1 4.38Å; V191-E194 PolarHBondContact O-N 2.89Å; V191-Q195 WeakPolarHBondContact O-CB 3.24Å; V191-Q195 PolarHBondContact O-N 3.28Å
192T88.6Confident87.2Confident81 Ų8156.8 Ų56.850%0.49729%0.292SS..Hα-helixtrans-66.5-45172.3-54.40000111.3N190 E194 Q195 L196N190-T192 PolarHBondContact O-N 3.07Å; N190-T192 VanDerWaalsContact O-N 3.12Å; N190-T192 PolarHBondContact OD1-N 3.16Å; T192-E194 VanDerWaalsContact C-N 3.31Å; T192-E194 PolarHBondContact O-N 2.95Å; T192-Q195 PolarHBondContact O-N 3.48Å; T192-L196 HydrophobicContact CG2-CD1 4.42Å; T192-L196 WeakPolarHBondContact O-CG 3.32Å; T192-L196 PolarHBondContact O-N 3.47Å
193A92.1Very high87.9Confident19 Ų1957.9 Ų57.916%0.15729%0.294CS..Hα-helixtrans-63.3-39.6174.700000111.4F126 N190 L196 F197F126-A193 HydrophobicContact CE1-CB 3.96Å; N190-A193 HydrophobicContact CB-CB 4.13Å; N190-A193 WeakPolarHBondContact O-CB 3.09Å; N190-A193 PolarHBondContact O-N 2.85Å; N190-A193 PolarHBondContact OD1-N 2.96Å; A193-L196 PolarHBondContact O-N 3.46Å; A193-F197 WeakPolarHBondContact O-CB 3.49Å; A193-F197 PolarHBondContact O-N 3.01Å
194E92.7Very high88.8Confident0 Ų062.9 Ų62.90%032%0.315CS..Hα-helixtrans-65.8-42.4177.4-61.3-177.2-168.100111.9L124 T140 I143 Y163 N190 V191 T192 L196 F197 L198L124-E194 HydrophobicContact CD1-CG 3.77Å; L124-E194 HydrophobicContact CD2-CB 4.39Å; L124-E194 HydrophobicContact CD2-CG 3.87Å; T140-E194 WeakPolarHBondContact CB-OE2 3.32Å; T140-E194 WeakPolarHBondContact CG2-OE1 3.34Å; T140-E194 WeakPolarHBondContact CG2-OE2 3.31Å; T140-E194 PolarHBondContact N-OE1 3.44Å; T140-E194 PolarHBondContact OG1-OE1 2.85Å; T140-E194 PolarHBondContact OG1-OE2 2.69Å; I143-E194 HydrophobicContact CD1-CB 4.29Å; I143-E194 HydrophobicContact CG1-CB 4Å; I143-E194 HydrophobicContact CG1-CG 3.81Å; Y163-E194 HydrophobicContact CE2-CB 4.05Å; Y163-E194 PolarHBondContact OH-OE2 2.93Å; Y163-E194 VanDerWaalsContact OH-OE2 3.1Å; N190-E194 PolarHBondContact O-N 3.41Å; N190-E194 VanDerWaalsContact O-N 3.09Å; V191-E194 PolarHBondContact O-N 2.89Å; T192-E194 VanDerWaalsContact C-N 3.31Å; T192-E194 PolarHBondContact O-N 2.95Å; E194-L196 VanDerWaalsContact C-N 3.35Å; E194-L196 PolarHBondContact O-N 3.12Å; E194-F197 PolarHBondContact O-N 2.81Å; E194-L198 WeakPolarHBondContact O-CB 3.48Å; E194-L198 VanDerWaalsContact O-CG 3.28Å; E194-L198 WeakPolarHBondContact O-CG 3.43Å; E194-L198 PolarHBondContact O-N 2.87Å
195Q90.5Very high89.7Confident50 Ų5064.3 Ų64.323%0.23432%0.323CS..Hα-helixtrans-62.9-40.1174.6-173.967.449.200112.4Y163 F165 V191 T192 L198 K199Y163-Q195 HydrophobicContact CD2-CB 4.14Å; Y163-Q195 PolarHBondContact O-OE1 3.19Å; F165-Q195 HydrophobicContact CE2-CB 3.74Å; F165-Q195 HydrophobicContact CE2-CG 3.86Å; F165-Q195 HydrophobicContact CZ-CB 4.34Å; V191-Q195 WeakPolarHBondContact O-CB 3.24Å; V191-Q195 PolarHBondContact O-N 3.28Å; T192-Q195 PolarHBondContact O-N 3.48Å; Q195-L198 PolarHBondContact O-N 3.11Å; Q195-K199 WeakPolarHBondContact O-CB 3.4Å; Q195-K199 PolarHBondContact O-N 3.44Å
196L93Very high90.5Very high112 Ų11261.5 Ų61.559%0.58632%0.315SS*.Hα-helixtrans-65.3-42.4176.3-72.7172.3000111.2T192 A193 E194 K199 D200T192-L196 HydrophobicContact CG2-CD1 4.42Å; T192-L196 WeakPolarHBondContact O-CG 3.32Å; T192-L196 PolarHBondContact O-N 3.47Å; A193-L196 PolarHBondContact O-N 3.46Å; E194-L196 VanDerWaalsContact C-N 3.35Å; E194-L196 PolarHBondContact O-N 3.12Å; L196-K199 PolarHBondContact O-N 3.29Å; L196-D200 WeakPolarHBondContact O-CB 3.39Å; L196-D200 PolarHBondContact O-N 2.81Å
197F95.4Very high91.2Very high18 Ų1859.3 Ų59.38%0.07930%0.304CS..Hα-helixtrans-61.1-49.5173.9164.7-102.7000111.8L123 L124 I143 I146 F150 A193 E194 K199 D200 I201L123-F197 HydrophobicContact CB-CD2 4.06Å; L123-F197 HydrophobicContact CB-CE2 3.82Å; L123-F197 HydrophobicContact CB-CZ 4.35Å; L123-F197 HydrophobicContact CD1-CE2 3.89Å; L123-F197 HydrophobicContact CD1-CZ 3.79Å; L123-F197 HydrophobicContact CD2-CE2 4.12Å; L123-F197 HydrophobicContact CG-CE2 4.16Å; L124-F197 HydrophobicContact CD2-CB 3.79Å; L124-F197 HydrophobicContact CD2-CD1 4.36Å; L124-F197 HydrophobicContact CD2-CG 4.11Å; I143-F197 HydrophobicContact CD1-CD1 3.71Å; I143-F197 HydrophobicContact CD1-CE1 3.87Å; I143-F197 HydrophobicContact CG2-CD1 4.38Å; I143-F197 HydrophobicContact CG2-CE1 4.17Å; I146-F197 HydrophobicContact CG2-CE1 4.18Å; I146-F197 HydrophobicContact CG2-CZ 4.18Å; F150-F197 HydrophobicContact CE2-CZ 4.1Å; A193-F197 WeakPolarHBondContact O-CB 3.49Å; A193-F197 PolarHBondContact O-N 3.01Å; E194-F197 PolarHBondContact O-N 2.81Å; F197-K199 VanDerWaalsContact C-N 3.29Å; F197-K199 PolarHBondContact O-N 3.23Å; F197-D200 PolarHBondContact O-N 3.48Å; F197-D200 VanDerWaalsContact O-N 3.15Å; F197-I201 HydrophobicContact CD2-CG2 3.97Å; F197-I201 HydrophobicContact CE1-CD1 3.86Å; F197-I201 HydrophobicContact CE2-CG2 3.45Å; F197-I201 VanDerWaalsContact CE2-CG2 3.45Å; F197-I201 HydrophobicContact CZ-CD1 3.9Å; F197-I201 HydrophobicContact CZ-CG2 3.79Å; F197-I201 WeakPolarHBondContact O-CG1 3.37Å; F197-I201 PolarHBondContact O-N 2.91Å
198L93.3Very high91.7Very high0 Ų060.2 Ų60.20%030%0.301CS..Hα-helixtrans-57-44.6177-73.6170.4000111.3I143 I146 L158 F161 Y163 E194 Q195 I201 I202I143-L198 HydrophobicContact CD1-CD1 4.4Å; I143-L198 HydrophobicContact CD1-CD2 3.97Å; I143-L198 HydrophobicContact CD1-CG 4.02Å; I146-L198 HydrophobicContact CD1-CD2 3.48Å; I146-L198 VanDerWaalsContact CD1-CD2 3.48Å; L158-L198 HydrophobicContact CD1-CD2 4.21Å; F161-L198 HydrophobicContact CB-CD1 4.13Å; F161-L198 HydrophobicContact CB-CD2 3.98Å; F161-L198 HydrophobicContact CD1-CD2 4.14Å; F161-L198 HydrophobicContact CG-CD2 4.37Å; Y163-L198 HydrophobicContact CE2-CD1 4.15Å; E194-L198 WeakPolarHBondContact O-CB 3.48Å; E194-L198 VanDerWaalsContact O-CG 3.28Å; E194-L198 WeakPolarHBondContact O-CG 3.43Å; E194-L198 PolarHBondContact O-N 2.87Å; Q195-L198 PolarHBondContact O-N 3.11Å; L198-I201 HydrophobicContact CD2-CD1 4.29Å; L198-I201 VanDerWaalsContact O-CG1 3.25Å; L198-I201 WeakPolarHBondContact O-CG1 3.32Å; L198-I202 WeakPolarHBondContact O-CB 3.39Å; L198-I202 WeakPolarHBondContact O-CD1 3.29Å; L198-I202 WeakPolarHBondContact O-CG1 3.24Å; L198-I202 PolarHBondContact O-N 2.9Å; L198-I202 VanDerWaalsContact O-N 3.15Å
199K92.8Very high91.7Very high109 Ų10958.9 Ų58.947%0.47430%0.3SS..Hα-helixtrans-59.9-47.6175.8-177.9179.8173.8-177.40111.6Q195 L196 F197 I202 E203Q195-K199 WeakPolarHBondContact O-CB 3.4Å; Q195-K199 PolarHBondContact O-N 3.44Å; L196-K199 PolarHBondContact O-N 3.29Å; F197-K199 VanDerWaalsContact C-N 3.29Å; F197-K199 PolarHBondContact O-N 3.23Å; K199-I202 PolarHBondContact O-N 2.95Å; K199-E203 WeakPolarHBondContact CE-OE1 3.49Å; K199-E203 HydrophobicContact CG-CG 4.31Å; K199-E203 IonicContact NZ-OE1 3.87Å; K199-E203 WeakPolarHBondContact O-CB 3.3Å; K199-E203 WeakPolarHBondContact O-CG 3.49Å; K199-E203 PolarHBondContact O-N 3.26Å
200D95.1Very high91.7Very high64 Ų6459.9 Ų59.934%0.34231%0.306SS..Hα-helixtrans-61.6-46.4-178.2-17670.4000112.5L196 F197 I202 E203 K204L196-D200 WeakPolarHBondContact O-CB 3.39Å; L196-D200 PolarHBondContact O-N 2.81Å; F197-D200 PolarHBondContact O-N 3.48Å; F197-D200 VanDerWaalsContact O-N 3.15Å; D200-I202 VanDerWaalsContact C-N 3.31Å; D200-I202 PolarHBondContact O-N 3.35Å; D200-E203 PolarHBondContact O-N 3.43Å; D200-K204 VanDerWaalsContact O-CB 3.32Å; D200-K204 WeakPolarHBondContact O-CB 3.34Å; D200-K204 WeakPolarHBondContact O-CG 3.46Å; D200-K204 PolarHBondContact O-N 2.95Å; D200-K204 WeakPolarHBondContact OD1-CE 3.48Å; D200-K204 IonicContact OD1-NZ 2.74Å; D200-K204 PolarHBondContact OD1-NZ 3.42Å; D200-K204 WeakPolarHBondContact OD2-CE 3.43Å; D200-K204 IonicContact OD2-NZ 3.6Å; D200-K204 PolarHBondContact OD2-NZ 3.34Å
201I95.2Very high91.1Very high4 Ų458.9 Ų58.92%0.02130%0.302CS..Hα-helixtrans-68-31.3179.765.5175000112.5I146 F150 L158 F197 L198 N205 L206 V207I146-I201 HydrophobicContact CG2-CD1 4.13Å; F150-I201 HydrophobicContact CZ-CD1 4.15Å; F150-I201 HydrophobicContact CZ-CG2 4.41Å; L158-I201 HydrophobicContact CD1-CD1 4.09Å; F197-I201 HydrophobicContact CD2-CG2 3.97Å; F197-I201 HydrophobicContact CE1-CD1 3.86Å; F197-I201 HydrophobicContact CE2-CG2 3.45Å; F197-I201 VanDerWaalsContact CE2-CG2 3.45Å; F197-I201 HydrophobicContact CZ-CD1 3.9Å; F197-I201 HydrophobicContact CZ-CG2 3.79Å; F197-I201 WeakPolarHBondContact O-CG1 3.37Å; F197-I201 PolarHBondContact O-N 2.91Å; L198-I201 HydrophobicContact CD2-CD1 4.29Å; L198-I201 VanDerWaalsContact O-CG1 3.25Å; L198-I201 WeakPolarHBondContact O-CG1 3.32Å; I201-N205 PolarHBondContact O-N 3.11Å; I201-L206 HydrophobicContact CB-CB 4.25Å; I201-L206 HydrophobicContact CB-CD1 4.41Å; I201-L206 HydrophobicContact CG2-CD1 4.2Å; I201-L206 PolarHBondContact O-N 3.28Å; I201-V207 HydrophobicContact CB-CG2 4.41Å; I201-V207 HydrophobicContact CD1-CG1 3.97Å; I201-V207 HydrophobicContact CD1-CG2 4.05Å; I201-V207 HydrophobicContact CG1-CG1 4.46Å; I201-V207 HydrophobicContact CG1-CG2 3.89Å
202I92.8Very high89.9Confident51 Ų5163.2 Ų63.226%0.26232%0.322SS..Hα-helixtrans-71.5-49.8175.3-68.9167.8000110L198 K199 D200 K204 N205 V207 N209L198-I202 WeakPolarHBondContact O-CB 3.39Å; L198-I202 WeakPolarHBondContact O-CD1 3.29Å; L198-I202 WeakPolarHBondContact O-CG1 3.24Å; L198-I202 PolarHBondContact O-N 2.9Å; L198-I202 VanDerWaalsContact O-N 3.15Å; K199-I202 PolarHBondContact O-N 2.95Å; D200-I202 VanDerWaalsContact C-N 3.31Å; D200-I202 PolarHBondContact O-N 3.35Å; I202-K204 PolarHBondContact O-N 3.38Å; I202-N205 PolarHBondContact O-N 3.22Å; I202-V207 HydrophobicContact CG1-CG2 3.74Å; I202-N209 HydrophobicContact CD1-CB 4Å; I202-N209 HydrophobicContact CG1-CB 4.12Å; I202-N209 HydrophobicContact CG2-CB 4.21Å
203E94.3Very high88.4Confident125 Ų12569 Ų6958%0.58435%0.35SS*.Hα-helixtrans-63-31.9179.9-74-179.4161.600112.4K199 D200 N205K199-E203 WeakPolarHBondContact CE-OE1 3.49Å; K199-E203 HydrophobicContact CG-CG 4.31Å; K199-E203 IonicContact NZ-OE1 3.87Å; K199-E203 WeakPolarHBondContact O-CB 3.3Å; K199-E203 WeakPolarHBondContact O-CG 3.49Å; K199-E203 PolarHBondContact O-N 3.26Å; D200-E203 PolarHBondContact O-N 3.43Å; E203-N205 VanDerWaalsContact C-N 3.28Å; E203-N205 PolarHBondContact O-N 2.86Å
204K95.6Very high88.2Confident121 Ų12171.6 Ų71.653%0.52636%0.36SS..THydrogen-bonded Turntrans-82.21.3175-70.8174.3179162.80114.2D200 I202 L206D200-K204 VanDerWaalsContact O-CB 3.32Å; D200-K204 WeakPolarHBondContact O-CB 3.34Å; D200-K204 WeakPolarHBondContact O-CG 3.46Å; D200-K204 PolarHBondContact O-N 2.95Å; D200-K204 WeakPolarHBondContact OD1-CE 3.48Å; D200-K204 IonicContact OD1-NZ 2.74Å; D200-K204 PolarHBondContact OD1-NZ 3.42Å; D200-K204 WeakPolarHBondContact OD2-CE 3.43Å; D200-K204 IonicContact OD2-NZ 3.6Å; D200-K204 PolarHBondContact OD2-NZ 3.34Å; I202-K204 PolarHBondContact O-N 3.38Å; K204-L206 HydrophobicContact CB-CD1 4.39Å; K204-L206 HydrophobicContact CB-CG 3.98Å; K204-L206 PolarHBondContact O-N 3.32Å
205N93Very high88Confident141 Ų14175.3 Ų75.375%0.75438%0.379SS*.THydrogen-bonded Turntrans54.333.6-176.3-54.9-67.4000113.6I201 I202 E203 V207I201-N205 PolarHBondContact O-N 3.11Å; I202-N205 PolarHBondContact O-N 3.22Å; E203-N205 VanDerWaalsContact C-N 3.28Å; E203-N205 PolarHBondContact O-N 2.86Å; N205-V207 VanDerWaalsContact C-N 3.25Å
206L93.1Very high87.9Confident103 Ų10376.7 Ų76.754%0.53939%0.387SS..SBendtrans-77.8-17.4172.8-60-178.7000111.9I201 K204I201-L206 HydrophobicContact CB-CB 4.25Å; I201-L206 HydrophobicContact CB-CD1 4.41Å; I201-L206 HydrophobicContact CG2-CD1 4.2Å; I201-L206 PolarHBondContact O-N 3.28Å; K204-L206 HydrophobicContact CB-CD1 4.39Å; K204-L206 HydrophobicContact CB-CG 3.98Å; K204-L206 PolarHBondContact O-N 3.32Å
207V91.2Very high87.6Confident9 Ų974.6 Ų74.66%0.05538%0.375CS..SBendtrans-138.8159.1177.7-61.10000109.6F150 V156 L158 I201 I202 N205F150-V207 HydrophobicContact CE1-CG1 3.55Å; F150-V207 HydrophobicContact CZ-CG1 3.71Å; V156-V207 HydrophobicContact CB-CG1 4.09Å; V156-V207 HydrophobicContact CG1-CG1 4.11Å; V156-V207 WeakPolarHBondContact O-CA 3.44Å; V156-V207 WeakPolarHBondContact O-CB 3.24Å; L158-V207 HydrophobicContact CD1-CB 4.06Å; L158-V207 HydrophobicContact CD1-CG1 4.16Å; L158-V207 HydrophobicContact CD1-CG2 3.7Å; L158-V207 HydrophobicContact CG-CB 4.06Å; L158-V207 HydrophobicContact CG-CG1 4.3Å; L158-V207 HydrophobicContact CG-CG2 4.16Å; I201-V207 HydrophobicContact CB-CG2 4.41Å; I201-V207 HydrophobicContact CD1-CG1 3.97Å; I201-V207 HydrophobicContact CD1-CG2 4.05Å; I201-V207 HydrophobicContact CG1-CG1 4.46Å; I201-V207 HydrophobicContact CG1-CG2 3.89Å; I202-V207 HydrophobicContact CG1-CG2 3.74Å; N205-V207 VanDerWaalsContact C-N 3.25Å
208I89.2Confident87.1Confident68 Ų6878.2 Ų78.235%0.34939%0.394SS..EExtended strand (participates in β ladder)trans-101.6110.9171.6-62.2166.7000108.1E155 V156 H157 L158 L210E155-I208 VanDerWaalsContact CD-CD1 3.42Å; E155-I208 HydrophobicContact CG-CD1 3.79Å; E155-I208 WeakPolarHBondContact OE2-CD1 3.45Å; V156-I208 PolarHBondContact O-N 2.96Å; H157-I208 CarbonylContact C-O 3.59Å; H157-I208 WeakPolarHBondContact CA-O 3.39Å; H157-I208 VanDerWaalsContact CD2-CB 3.49Å; H157-I208 WeakPolarHBondContact CD2-CB 3.38Å; H157-I208 WeakPolarHBondContact NE2-CD1 3.18Å; L158-I208 PolarHBondContact N-O 3.47Å; I208-L210 HydrophobicContact CG2-CD2 4.03Å; I208-L210 PolarHBondContact O-N 3.18Å
209N87.7Confident86.7Confident63 Ų6383.4 Ų83.434%0.33742%0.42SS..EExtended strand (participates in β ladder)trans-80120175-178.326.5000110.6L158 I202 T211L158-N209 PolarHBondContact O-OD1 3.1Å; I202-N209 HydrophobicContact CD1-CB 4Å; I202-N209 HydrophobicContact CG1-CB 4.12Å; I202-N209 HydrophobicContact CG2-CB 4.21Å; N209-T211 PolarHBondContact ND2-O 3.18Å; N209-T211 VanDerWaalsContact OD1-CB 3.26Å; N209-T211 WeakPolarHBondContact OD1-CB 3.49Å; N209-T211 PolarHBondContact OD1-N 3.15Å; N209-T211 PolarHBondContact OD1-OG1 3.01Å; N209-T211 VanDerWaalsContact OD1-OG1 3.1Å
210L83.8Confident86.2Confident49 Ų4981.6 Ų81.626%0.25742%0.416SS..  trans-95.1-12.5176.2-57.9179.2000112.5A11 H157 L158 A159 I208 Q212A11-L210 HydrophobicContact CB-CD1 3.64Å; A11-L210 HydrophobicContact CB-CD2 4.06Å; A11-L210 HydrophobicContact CB-CG 4.45Å; H157-L210 HydrophobicContact CB-CD1 3.77Å; H157-L210 HydrophobicContact CB-CG 4.17Å; L158-L210 WeakPolarHBondContact O-CB 3.08Å; L158-L210 PolarHBondContact O-N 3.19Å; A159-L210 HydrophobicContact CB-CB 4.3Å; I208-L210 HydrophobicContact CG2-CD2 4.03Å; I208-L210 PolarHBondContact O-N 3.18Å; L210-Q212 PolarHBondContact O-N 3.1Å
211T77.1Confident85.5Confident38 Ų3882.9 Ų82.923%0.23342%0.422CS..  trans-74.4114.4179.4-40.10000108.9A159 G160 N209A159-T211 WeakPolarHBondContact CA-OG1 3.26Å; G160-T211 PolarHBondContact N-OG1 2.93Å; N209-T211 PolarHBondContact ND2-O 3.18Å; N209-T211 VanDerWaalsContact OD1-CB 3.26Å; N209-T211 WeakPolarHBondContact OD1-CB 3.49Å; N209-T211 PolarHBondContact OD1-N 3.15Å; N209-T211 PolarHBondContact OD1-OG1 3.01Å; N209-T211 VanDerWaalsContact OD1-OG1 3.1Å
212Q62.2Low84.7Confident103 Ų10389.5 Ų89.548%0.48146%0.455SS..  trans-66.8152.6174.2-65.7-172.7-2.400111L210L210-Q212 PolarHBondContact O-N 3.1Å
213D56.9Low84Confident203 Ų20393 Ų93100%1.08647%0.473SS*.  trans-64.30177.1-85.6-35.4000114.2K162K162-D213 IonicContact NZ-OD1 2.79Å; K162-D213 PolarHBondContact NZ-OXT 3.38Å

Retrieved 213 of 213 residues in 110.9 ms (Link to these results)

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