A0A087Y1E2_POEFO Loading...

Small nuclear ribonucleoprotein-associated protein

AlphaFold DB , UniProt , Accession A0A087Y1E2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 236 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1Q41.7Very low68.3Low243 Ų243120.5 Ų120.5100%1.13665%0.651SS**  0118.60-71.7177.913.700107.2V3Q1-V3 PolarHBondContact O-N 3Å
2T43.6Very low70.4Confident143 Ų143115.4 Ų115.488%0.87762%0.62SS**  trans-61.7122.1-171.9-39.50000109.8G4T2-G4 PolarHBondContact O-N 3.44Å
3V56.1Low72.2Confident148 Ų148110.2 Ų110.290%0.89759%0.591SS**  trans-67.979.1172-1790000107.6Q1 K5Q1-V3 PolarHBondContact O-N 3Å; V3-K5 PolarHBondContact O-N 2.92Å
4G53.2Low73.9Confident60 Ų60106.9 Ų106.962%0.61957%0.573SS**  trans-80108.817900000109.4T2T2-G4 PolarHBondContact O-N 3.44Å
5K60.5Low75.4Confident200 Ų200104.1 Ų104.187%0.8755%0.554SS**  trans29.794.6159-62.7172.9-177177.50113.9V3 S7V3-K5 PolarHBondContact O-N 2.92Å; K5-S7 PolarHBondContact O-N 3.04Å; K5-S7 VanDerWaalsContact O-N 3.08Å
6S58.6Low76.7Confident72 Ų72102.9 Ų102.950%0.50354%0.539SS..  trans-26.3112.6171.4-177.60000111.9K8 L10S6-K8 PolarHBondContact O-N 3.14Å; S6-L10 WeakPolarHBondContact OG-CB 3.42Å
7S77.2Confident77.9Confident49 Ų4997.1 Ų97.134%0.34351%0.509SS..  trans-54.5141.9-179.473.90000109.4K5 M9 L10 F34K5-S7 PolarHBondContact O-N 3.04Å; K5-S7 VanDerWaalsContact O-N 3.08Å; S7-M9 PolarHBondContact O-N 3.38Å; S7-L10 WeakPolarHBondContact O-CB 3.22Å; S7-L10 PolarHBondContact O-N 3.47Å; S7-F34 WeakPolarHBondContact OG-CZ 3.39Å
8K86.9Confident78.9Confident172 Ų17295.7 Ų95.775%0.74850%0.495SS*.THydrogen-bonded Turntrans-49.2-28.4179-67.6-178.1178.2179.10112.6S6 Q11 H12S6-K8 PolarHBondContact O-N 3.14Å; K8-Q11 PolarHBondContact O-N 3.19Å; K8-H12 PolarHBondContact O-CD2 2.93Å; K8-H12 VanDerWaalsContact O-CD2 3.32Å
9M90.5Very high79.9Confident34 Ų3490.6 Ų90.617%0.16747%0.469CS..THydrogen-bonded Turntrans-66.4-36.1176.9-68.8-64.1-68.300114.1S7 Q11 H12 F31 F34 M38 L40 M80S7-M9 PolarHBondContact O-N 3.38Å; M9-Q11 PolarHBondContact O-N 3.3Å; M9-H12 PolarHBondContact O-N 3.43Å; M9-H12 VanDerWaalsContact O-N 3.12Å; M9-F31 HydrophobicContact CE-CE1 4.08Å; M9-F31 HydrophobicContact CE-CE2 4.31Å; M9-F31 HydrophobicContact CE-CZ 3.59Å; M9-F34 HydrophobicContact CB-CD1 3.97Å; M9-F34 HydrophobicContact CB-CD2 4.15Å; M9-F34 HydrophobicContact CB-CE1 3.72Å; M9-F34 HydrophobicContact CB-CE2 3.92Å; M9-F34 HydrophobicContact CB-CG 4.19Å; M9-F34 HydrophobicContact CB-CZ 3.7Å; M9-F34 HydrophobicContact CE-CB 4.08Å; M9-F34 HydrophobicContact CE-CG 4.14Å; M9-F34 HydrophobicContact CG-CD2 4.41Å; M9-F34 HydrophobicContact CG-CE2 4.39Å; M9-M38 HydrophobicContact CE-CE 3.62Å; M9-M38 HydrophobicContact CE-SD 4.24Å; M9-M38 HydrophobicContact SD-CE 3.99Å; M9-L40 HydrophobicContact CE-CD2 4.19Å; M9-M80 HydrophobicContact CE-CE 3.45Å; M9-M80 VanDerWaalsContact CE-CE 3.45Å; M9-M80 HydrophobicContact SD-CE 3.75Å
10L91.2Very high80.7Confident83 Ų8388.9 Ų88.944%0.43546%0.46SS..G310 helixtrans-63.1-28.3178.1-72.2167.4000112S6 S7 H12 I13 F34S6-L10 WeakPolarHBondContact OG-CB 3.42Å; S7-L10 WeakPolarHBondContact O-CB 3.22Å; S7-L10 PolarHBondContact O-N 3.47Å; L10-H12 PolarHBondContact O-N 3.23Å; L10-I13 HydrophobicContact CD2-CD1 3.75Å; L10-I13 PolarHBondContact O-N 3.37Å; L10-F34 HydrophobicContact CD2-CE1 3.94Å; L10-F34 HydrophobicContact CD2-CZ 4.38Å; L10-F34 HydrophobicContact CG-CE1 4.16Å; L10-F34 HydrophobicContact CG-CZ 4.29Å
11Q92.4Very high81.4Confident122 Ų12285.7 Ų85.757%0.5744%0.444SS*.G310 helixtrans-72.2-19.7178.8-58.3176.219.300112.9K8 M9K8-Q11 PolarHBondContact O-N 3.19Å; M9-Q11 PolarHBondContact O-N 3.3Å
12H93.2Very high84Confident59 Ų5980.3 Ų80.327%0.27342%0.418SS..G310 helixtrans-98.1-3.3-178.7-63.5-47.7000113.1K8 M9 L10 F15 M17 F31K8-H12 PolarHBondContact O-CD2 2.93Å; K8-H12 VanDerWaalsContact O-CD2 3.32Å; M9-H12 PolarHBondContact O-N 3.43Å; M9-H12 VanDerWaalsContact O-N 3.12Å; L10-H12 PolarHBondContact O-N 3.23Å; H12-F15 WeakPolarHBondContact O-CB 3.37Å; H12-F15 PolarHBondContact O-N 2.89Å; H12-M17 HydrophobicContact CB-CE 3.88Å; H12-M17 HydrophobicContact CB-SD 4.14Å; H12-F31 HydrophobicContact CB-CD1 4.33Å; H12-F31 HydrophobicContact CB-CE1 4.48Å; H12-F31 WeakPolarHBondContact O-CD1 3.09Å
13I94.1Very high86.2Confident47 Ų4777.9 Ų77.924%0.24140%0.4CS..THydrogen-bonded Turntrans-58.7142.9174.5-66.2-179.4000109.7L10 F15 F31 F34L10-I13 HydrophobicContact CD2-CD1 3.75Å; L10-I13 PolarHBondContact O-N 3.37Å; I13-F15 WeakPolarHBondContact O-CD2 3.46Å; I13-F15 PolarHBondContact O-N 2.88Å; I13-F15 VanDerWaalsContact O-N 3.12Å; I13-F31 CarbonylContact C-O 3.52Å; I13-F31 HydrophobicContact CG1-CD1 4.31Å; I13-F31 HydrophobicContact CG1-CE1 3.86Å; I13-F34 HydrophobicContact CD1-CE1 4.42Å
14D95.1Very high87.9Confident64 Ų6473 Ų7334%0.34238%0.38SS..THydrogen-bonded Turntrans68-8.9-174.7-59.5-51.5000115.9T30 F31 K32 P86 P87D14-T30 WeakPolarHBondContact O-CG2 3.36Å; D14-F31 WeakPolarHBondContact CA-O 3.43Å; D14-F31 PolarHBondContact N-O 2.84Å; D14-K32 VanDerWaalsContact OD1-CD 3.25Å; D14-K32 WeakPolarHBondContact OD1-CD 3.16Å; D14-K32 WeakPolarHBondContact OD1-CE 3.14Å; D14-K32 IonicContact OD1-NZ 3.26Å; D14-K32 PolarHBondContact OD1-NZ 2.81Å; D14-P86 HydrophobicContact CB-CB 4.08Å; D14-P86 HydrophobicContact CB-CG 4.44Å; D14-P86 WeakPolarHBondContact O-CA 3.49Å; D14-P86 VanDerWaalsContact O-CB 3.26Å; D14-P86 WeakPolarHBondContact O-CB 3.38Å; D14-P87 WeakPolarHBondContact O-CD 3.38Å
15F96.2Very high89.8Confident66 Ų6674.3 Ų74.329%0.28937%0.366SS..SBendtrans-70.1153.6172.1-77.8-106.7000111.3H12 I13 M17 T30 F31 V82 P86H12-F15 WeakPolarHBondContact O-CB 3.37Å; H12-F15 PolarHBondContact O-N 2.89Å; I13-F15 WeakPolarHBondContact O-CD2 3.46Å; I13-F15 PolarHBondContact O-N 2.88Å; I13-F15 VanDerWaalsContact O-N 3.12Å; F15-M17 HydrophobicContact CB-CG 4.43Å; F15-M17 HydrophobicContact CB-SD 3.85Å; F15-M17 PolarHBondContact O-N 3.45Å; F15-T30 WeakPolarHBondContact O-CA 3.04Å; F15-F31 PolarHBondContact O-N 2.82Å; F15-V82 HydrophobicContact CD1-CG1 3.64Å; F15-V82 HydrophobicContact CE1-CG1 4.35Å; F15-V82 HydrophobicContact CG-CG1 4.45Å; F15-P86 HydrophobicContact CD1-CG 4.2Å; F15-P86 HydrophobicContact CD2-CG 3.62Å; F15-P86 HydrophobicContact CE1-CG 4.25Å; F15-P86 HydrophobicContact CE2-CG 3.64Å; F15-P86 HydrophobicContact CG-CG 3.9Å; F15-P86 HydrophobicContact CZ-CG 3.97Å
16R96.3Very high91.4Very high85 Ų8566.5 Ų66.532%0.32133%0.334SS..EExtended strand (participates in β ladder)trans-79113.7168.2-161.9164.1-176.9-136.611.9107.9I28 E83 G84R16-I28 HydrophobicContact CG-CG2 4.08Å; R16-E83 WeakPolarHBondContact CD-OE2 3.16Å; R16-E83 WeakPolarHBondContact CG-OE2 3.26Å; R16-E83 IonicContact CZ-OE2 2.72Å; R16-E83 IonicContact NE-OE2 3.57Å; R16-E83 IonicContact NH1-OE1 3.74Å; R16-E83 IonicContact NH1-OE2 2.94Å; R16-E83 PolarHBondContact NH1-OE2 2.9Å; R16-E83 WeakPolarHBondContact O-CA 3.49Å; R16-E83 WeakPolarHBondContact O-CB 3.44Å; R16-E83 PolarHBondContact O-N 2.84Å; R16-G84 PolarHBondContact N-O 2.86Å; R16-G84 VanDerWaalsContact N-O 3.1Å; R16-G84 PolarHBondContact O-N 2.85Å; R16-G84 VanDerWaalsContact O-N 3.12Å
17M97.3Very high93.3Very high3 Ų363.6 Ų63.62%0.01531%0.312CS..EExtended strand (participates in β ladder)trans-110.9141-173.5-60.1-60.2-78.200110.3H12 F15 I28 G29 F31 M80 T81 V82H12-M17 HydrophobicContact CB-CE 3.88Å; H12-M17 HydrophobicContact CB-SD 4.14Å; F15-M17 HydrophobicContact CB-CG 4.43Å; F15-M17 HydrophobicContact CB-SD 3.85Å; F15-M17 PolarHBondContact O-N 3.45Å; M17-I28 WeakPolarHBondContact O-CA 3.34Å; M17-G29 PolarHBondContact N-O 3.25Å; M17-G29 PolarHBondContact O-N 2.92Å; M17-G29 VanDerWaalsContact O-N 3.09Å; M17-F31 HydrophobicContact CB-CB 4.09Å; M17-F31 HydrophobicContact CG-CB 3.44Å; M17-F31 VanDerWaalsContact CG-CB 3.44Å; M17-F31 HydrophobicContact CG-CD1 4.4Å; M17-F31 HydrophobicContact CG-CG 4.18Å; M17-M80 HydrophobicContact CB-CG 3.88Å; M17-M80 HydrophobicContact CB-SD 3.87Å; M17-M80 HydrophobicContact CE-CE 3.67Å; M17-M80 HydrophobicContact CE-CG 3.55Å; M17-M80 HydrophobicContact CE-SD 3.72Å; M17-M80 HydrophobicContact CG-CG 4.37Å; M17-M80 HydrophobicContact CG-SD 3.97Å; M17-T81 CarbonylContact C-O 3.58Å; M17-T81 WeakPolarHBondContact CA-O 3.47Å; M17-V82 HydrophobicContact CE-CG2 3.98Å; M17-V82 HydrophobicContact SD-CB 4.22Å; M17-V82 HydrophobicContact SD-CG2 3.72Å
18R97Very high94.2Very high72 Ų7261.7 Ų61.727%0.27230%0.298SS..EExtended strand (participates in β ladder)trans-95.6118.8166.3178-174.7-61.9-89.4-4.3108.3I26 F27 I28 M80 T81 E83R18-I26 HydrophobicContact CG-CG2 3.56Å; R18-F27 CarbonylContact C-O 3.58Å; R18-F27 WeakPolarHBondContact CA-O 3.33Å; R18-I28 HydrophobicContact CB-CG1 4.38Å; R18-I28 HydrophobicContact CG-CG1 4.31Å; R18-M80 CarbonylContact O-C 3.59Å; R18-M80 VanDerWaalsContact O-CA 3.24Å; R18-M80 WeakPolarHBondContact O-CA 3.39Å; R18-T81 PolarHBondContact N-O 3.07Å; R18-T81 PolarHBondContact O-N 2.83Å; R18-E83 HydrophobicContact CB-CB 4.36Å
19C96.8Very high94.7Very high0 Ų053.5 Ų53.50%026%0.262CS..EExtended strand (participates in β ladder)trans-108.5131.3176.5-56.10000109.4I26 F27 L72 L77C19-I26 CarbonylContact O-C 3.6Å; C19-I26 WeakPolarHBondContact O-CA 3.05Å; C19-F27 HydrophobicContact CB-CB 4.36Å; C19-F27 PolarHBondContact N-O 3.29Å; C19-F27 PolarHBondContact O-N 3.43Å; C19-L72 HydrophobicContact CB-CD1 4.14Å; C19-L77 HydrophobicContact CB-CD1 3.86Å
20I96.4Very high95Very high56 Ų5652.3 Ų52.329%0.28726%0.257SS..EExtended strand (participates in β ladder)trans-109.3126177.8-54.7179.6000108.3V78 S79I20-V78 PolarHBondContact O-N 3.13Å; I20-S79 PolarHBondContact N-O 2.62Å; I20-S79 PolarHBondContact O-N 2.78Å
21L95.6Very high95.2Very high21 Ų2148.4 Ų48.411%0.1124%0.236CC..EExtended strand (participates in β ladder)trans-92.7162.7176.9-81.865.5000111.5D23 G24 R25 F27 L72 N76L21-D23 VanDerWaalsContact CB-OD1 3.26Å; L21-D23 WeakPolarHBondContact CB-OD1 3.33Å; L21-D23 PolarHBondContact O-N 2.71Å; L21-G24 PolarHBondContact O-N 3.34Å; L21-R25 HydrophobicContact CB-CB 4.48Å; L21-R25 PolarHBondContact N-O 3.01Å; L21-F27 HydrophobicContact CD1-CD2 3.44Å; L21-F27 VanDerWaalsContact CD1-CD2 3.44Å; L21-F27 HydrophobicContact CD1-CE2 3.73Å; L21-F27 HydrophobicContact CD1-CG 4.47Å; L21-F27 HydrophobicContact CD2-CD2 4.3Å; L21-F27 HydrophobicContact CD2-CE2 3.68Å; L21-F27 HydrophobicContact CD2-CZ 4.46Å; L21-F27 HydrophobicContact CG-CD2 4.47Å; L21-F27 HydrophobicContact CG-CE2 4.31Å; L21-L72 HydrophobicContact CD1-CD1 4.17Å; L21-L72 HydrophobicContact CD2-CD2 4.45Å; L21-N76 CarbonylContact C-O 3.59Å; L21-N76 WeakPolarHBondContact CA-O 3.26Å; L21-N76 HydrophobicContact CD2-CB 4.42Å; L21-N76 HydrophobicContact CG-CB 4.38Å
22Q95.6Very high95.4Very high130 Ų13046.6 Ų46.661%0.60723%0.226SC*.THydrogen-bonded Turntrans-59.4-30177.4-70.8-179.60.400113.6G24 E75 N76 V78Q22-G24 PolarHBondContact O-N 3.24Å; Q22-E75 PolarHBondContact NE2-O 3.31Å; Q22-N76 PolarHBondContact N-O 2.71Å; Q22-V78 HydrophobicContact CB-CG2 4.17Å; Q22-V78 HydrophobicContact CG-CG2 3.53Å
23D90.6Very high95.5Very high92 Ų9245.6 Ų45.649%0.49223%0.229SC..THydrogen-bonded Turntrans-82.12.5178.870.4-14.7000113.6L21 R25L21-D23 VanDerWaalsContact CB-OD1 3.26Å; L21-D23 WeakPolarHBondContact CB-OD1 3.33Å; L21-D23 PolarHBondContact O-N 2.71Å; D23-R25 VanDerWaalsContact C-N 3.35Å; D23-R25 WeakPolarHBondContact OD1-CB 3.28Å; D23-R25 WeakPolarHBondContact OD1-CG 3.39Å; D23-R25 PolarHBondContact OD1-N 3.24Å; D23-R25 WeakPolarHBondContact OD2-CD 3.38Å; D23-R25 WeakPolarHBondContact OD2-CG 3.12Å; D23-R25 IonicContact OD2-CZ 3.37Å; D23-R25 IonicContact OD2-NE 3.69Å; D23-R25 PolarHBondContact OD2-NE 3.18Å; D23-R25 IonicContact OD2-NH2 3.51Å
24G90.2Very high95.5Very high46 Ų4646.5 Ų46.547%0.47423%0.231SC..SBendtrans82.97.4179.200000114.4L21 Q22L21-G24 PolarHBondContact O-N 3.34Å; Q22-G24 PolarHBondContact O-N 3.24Å
25R93.3Very high95.5Very high88 Ų8846.8 Ų46.833%0.33223%0.233SC..  trans-72.6147.8169.5-65.4175-166-165.119.6110.7L21 D23 F27 E47 R49L21-R25 HydrophobicContact CB-CB 4.48Å; L21-R25 PolarHBondContact N-O 3.01Å; D23-R25 VanDerWaalsContact C-N 3.35Å; D23-R25 WeakPolarHBondContact OD1-CB 3.28Å; D23-R25 WeakPolarHBondContact OD1-CG 3.39Å; D23-R25 PolarHBondContact OD1-N 3.24Å; D23-R25 WeakPolarHBondContact OD2-CD 3.38Å; D23-R25 WeakPolarHBondContact OD2-CG 3.12Å; D23-R25 IonicContact OD2-CZ 3.37Å; D23-R25 IonicContact OD2-NE 3.69Å; D23-R25 PolarHBondContact OD2-NE 3.18Å; D23-R25 IonicContact OD2-NH2 3.51Å; R25-F27 HydrophobicContact CB-CD2 4.39Å; R25-F27 HydrophobicContact CB-CE2 3.84Å; R25-E47 VanDerWaalsContact CD-OE1 3.22Å; R25-E47 WeakPolarHBondContact CD-OE1 3.24Å; R25-E47 IonicContact CZ-OE1 3.55Å; R25-E47 IonicContact NE-OE1 3.56Å; R25-E47 IonicContact NH1-OE1 3.13Å; R25-E47 PolarHBondContact NH1-OE1 3.22Å; R25-E47 VanDerWaalsContact NH1-OE1 3.13Å; R25-R49 VanDerWaalsContact NH1-NH2 3.15Å
26I95.6Very high95.3Very high36 Ų3652 Ų5219%0.18526%0.255CS..EExtended strand (participates in β ladder)trans-118.8126.2176.6-55.9174.6000108.1R18 C19 I28 E47 F48R18-I26 HydrophobicContact CG-CG2 3.56Å; C19-I26 CarbonylContact O-C 3.6Å; C19-I26 WeakPolarHBondContact O-CA 3.05Å; I26-I28 HydrophobicContact CG2-CG1 4.19Å; I26-E47 CarbonylContact O-C 3.52Å; I26-E47 WeakPolarHBondContact O-CA 3Å; I26-F48 HydrophobicContact CB-CB 4.23Å; I26-F48 PolarHBondContact N-O 3.18Å; I26-F48 VanDerWaalsContact N-O 3.11Å; I26-F48 PolarHBondContact O-N 3.05Å
27F97.1Very high95.2Very high11 Ų1153 Ų535%0.04826%0.263CS..EExtended strand (participates in β ladder)trans-109.4129.5173.2-70.9-106.7000108.4R18 C19 L21 R25 L42 D46 E47 L67 V70 L72R18-F27 CarbonylContact C-O 3.58Å; R18-F27 WeakPolarHBondContact CA-O 3.33Å; C19-F27 HydrophobicContact CB-CB 4.36Å; C19-F27 PolarHBondContact N-O 3.29Å; C19-F27 PolarHBondContact O-N 3.43Å; L21-F27 HydrophobicContact CD1-CD2 3.44Å; L21-F27 VanDerWaalsContact CD1-CD2 3.44Å; L21-F27 HydrophobicContact CD1-CE2 3.73Å; L21-F27 HydrophobicContact CD1-CG 4.47Å; L21-F27 HydrophobicContact CD2-CD2 4.3Å; L21-F27 HydrophobicContact CD2-CE2 3.68Å; L21-F27 HydrophobicContact CD2-CZ 4.46Å; L21-F27 HydrophobicContact CG-CD2 4.47Å; L21-F27 HydrophobicContact CG-CE2 4.31Å; R25-F27 HydrophobicContact CB-CD2 4.39Å; R25-F27 HydrophobicContact CB-CE2 3.84Å; F27-L42 HydrophobicContact CB-CD1 4.08Å; F27-D46 CarbonylContact C-O 3.56Å; F27-D46 WeakPolarHBondContact CA-O 3.36Å; F27-E47 HydrophobicContact CD1-CB 4.28Å; F27-E47 HydrophobicContact CE1-CB 4.02Å; F27-E47 HydrophobicContact CE1-CG 4.24Å; F27-E47 HydrophobicContact CE2-CG 4.26Å; F27-E47 HydrophobicContact CZ-CB 4.28Å; F27-E47 HydrophobicContact CZ-CG 3.98Å; F27-L67 HydrophobicContact CD1-CD1 3.87Å; F27-L67 HydrophobicContact CE1-CD1 3.34Å; F27-L67 HydrophobicContact CZ-CD1 4.38Å; F27-V70 HydrophobicContact CD1-CG1 4.5Å; F27-V70 HydrophobicContact CE1-CG1 4.36Å; F27-L72 HydrophobicContact CB-CD1 4.19Å; F27-L72 HydrophobicContact CD1-CD2 4.25Å; F27-L72 HydrophobicContact CD2-CD1 4.45Å; F27-L72 HydrophobicContact CD2-CD2 4.39Å; F27-L72 HydrophobicContact CE1-CD2 4.13Å; F27-L72 HydrophobicContact CE2-CD2 4.31Å; F27-L72 HydrophobicContact CG-CD1 4.19Å; F27-L72 HydrophobicContact CG-CD2 4.37Å; F27-L72 HydrophobicContact CZ-CD2 4.17Å
28I96.8Very high95.2Very high8 Ų856.1 Ų56.14%0.04128%0.279CS..EExtended strand (participates in β ladder)trans-118.4120.3173.5-53.9-179.3000107.5R16 M17 R18 I26 C45 D46 F48 E83R16-I28 HydrophobicContact CG-CG2 4.08Å; M17-I28 WeakPolarHBondContact O-CA 3.34Å; R18-I28 HydrophobicContact CB-CG1 4.38Å; R18-I28 HydrophobicContact CG-CG1 4.31Å; I26-I28 HydrophobicContact CG2-CG1 4.19Å; I28-C45 CarbonylContact O-C 3.55Å; I28-C45 WeakPolarHBondContact O-CA 3.46Å; I28-D46 PolarHBondContact N-O 2.79Å; I28-D46 PolarHBondContact O-N 2.86Å; I28-F48 HydrophobicContact CB-CE2 4.07Å; I28-F48 HydrophobicContact CD1-CD2 3.92Å; I28-F48 HydrophobicContact CD1-CE2 3.51Å; I28-F48 HydrophobicContact CD1-CZ 4.19Å; I28-F48 HydrophobicContact CG1-CD2 4Å; I28-F48 HydrophobicContact CG1-CE2 3.81Å; I28-E83 HydrophobicContact CG2-CB 4.35Å; I28-E83 HydrophobicContact CG2-CG 4.04Å
29G96.9Very high95.1Very high0 Ų054 Ų540%027%0.273CS..EExtended strand (participates in β ladder)trans-163.7170.6-178.700000112M17 F31 C43M17-G29 PolarHBondContact N-O 3.25Å; M17-G29 PolarHBondContact O-N 2.92Å; M17-G29 VanDerWaalsContact O-N 3.09Å; G29-F31 PolarHBondContact O-N 3.22Å; G29-C43 CarbonylContact C-O 3.59Å; G29-C43 WeakPolarHBondContact CA-O 3.26Å
30T96.7Very high95.1Very high10 Ų1054 Ų546%0.06127%0.273CS..EExtended strand (participates in β ladder)trans-78.4117.1176.9-60.50000109.9D14 F15 K32 L42 C43D14-T30 WeakPolarHBondContact O-CG2 3.36Å; F15-T30 WeakPolarHBondContact O-CA 3.04Å; T30-K32 HydrophobicContact CG2-CD 4.14Å; T30-K32 PolarHBondContact O-N 2.8Å; T30-L42 CarbonylContact O-C 3.56Å; T30-L42 VanDerWaalsContact O-CA 3.3Å; T30-L42 WeakPolarHBondContact O-CA 3.3Å; T30-C43 PolarHBondContact N-O 3.26Å; T30-C43 PolarHBondContact O-N 3.05Å
31F96.6Very high95.1Very high0 Ų053.8 Ų53.80%027%0.271CS..EExtended strand (participates in β ladder)trans-78.9112.4-176.7171.9-119.1000111.3M9 H12 I13 D14 F15 M17 G29 A33 F34 L40 L42 M80M9-F31 HydrophobicContact CE-CE1 4.08Å; M9-F31 HydrophobicContact CE-CE2 4.31Å; M9-F31 HydrophobicContact CE-CZ 3.59Å; H12-F31 HydrophobicContact CB-CD1 4.33Å; H12-F31 HydrophobicContact CB-CE1 4.48Å; H12-F31 WeakPolarHBondContact O-CD1 3.09Å; I13-F31 CarbonylContact C-O 3.52Å; I13-F31 HydrophobicContact CG1-CD1 4.31Å; I13-F31 HydrophobicContact CG1-CE1 3.86Å; D14-F31 WeakPolarHBondContact CA-O 3.43Å; D14-F31 PolarHBondContact N-O 2.84Å; F15-F31 PolarHBondContact O-N 2.82Å; M17-F31 HydrophobicContact CB-CB 4.09Å; M17-F31 HydrophobicContact CG-CB 3.44Å; M17-F31 VanDerWaalsContact CG-CB 3.44Å; M17-F31 HydrophobicContact CG-CD1 4.4Å; M17-F31 HydrophobicContact CG-CG 4.18Å; G29-F31 PolarHBondContact O-N 3.22Å; F31-A33 VanDerWaalsContact CE2-C 3.48Å; F31-A33 WeakPolarHBondContact CE2-O 3.46Å; F31-F34 HydrophobicContact CE1-CD1 4.47Å; F31-F34 HydrophobicContact CE2-CB 3.93Å; F31-F34 HydrophobicContact CZ-CB 3.66Å; F31-F34 AromaticContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CG 4.07Å; F31-L40 HydrophobicContact CD2-CB 4.38Å; F31-L40 HydrophobicContact CD2-CD2 4.38Å; F31-L40 HydrophobicContact CE2-CB 4.24Å; F31-L40 HydrophobicContact CE2-CD2 3.62Å; F31-L40 HydrophobicContact CE2-CG 4.39Å; F31-L40 HydrophobicContact CZ-CD2 4.34Å; F31-L42 HydrophobicContact CB-CD2 3.93Å; F31-L42 HydrophobicContact CD2-CD2 4.16Å; F31-M80 HydrophobicContact CD2-SD 4.47Å; F31-M80 HydrophobicContact CG-SD 4.45Å
32K95.2Very high95.2Very high84 Ų8452.8 Ų52.837%0.36527%0.266SS..EExtended strand (participates in β ladder)trans-103.3-33.6-173.6-70.5-58.4-170.8176.20114.1D14 T30 I41 C43D14-K32 VanDerWaalsContact OD1-CD 3.25Å; D14-K32 WeakPolarHBondContact OD1-CD 3.16Å; D14-K32 WeakPolarHBondContact OD1-CE 3.14Å; D14-K32 IonicContact OD1-NZ 3.26Å; D14-K32 PolarHBondContact OD1-NZ 2.81Å; T30-K32 HydrophobicContact CG2-CD 4.14Å; T30-K32 PolarHBondContact O-N 2.8Å; K32-I41 HydrophobicContact CB-CG2 4.31Å; K32-I41 PolarHBondContact N-O 3.38Å; K32-C43 HydrophobicContact CG-CB 4.29Å; K32-C43 VanDerWaalsContact CG-SG 3.57Å
33A95.1Very high95.2Very high39 Ų3948 Ų4832%0.32225%0.247SC..EExtended strand (participates in β ladder)trans-155151.9-177.600000111.7F31 L40 I41F31-A33 VanDerWaalsContact CE2-C 3.48Å; F31-A33 WeakPolarHBondContact CE2-O 3.46Å; A33-L40 WeakPolarHBondContact O-CA 3.2Å; A33-I41 HydrophobicContact CB-CB 4.07Å; A33-I41 HydrophobicContact CB-CG1 3.93Å; A33-I41 PolarHBondContact O-N 3.1Å
34F95.3Very high95.4Very high66 Ų6648.3 Ų48.329%0.28925%0.248SC..EExtended strand (participates in β ladder)trans-129.5159.8166.266.9-68.8000111.2S7 M9 L10 I13 F31 N39 L40S7-F34 WeakPolarHBondContact OG-CZ 3.39Å; M9-F34 HydrophobicContact CB-CD1 3.97Å; M9-F34 HydrophobicContact CB-CD2 4.15Å; M9-F34 HydrophobicContact CB-CE1 3.72Å; M9-F34 HydrophobicContact CB-CE2 3.92Å; M9-F34 HydrophobicContact CB-CG 4.19Å; M9-F34 HydrophobicContact CB-CZ 3.7Å; M9-F34 HydrophobicContact CE-CB 4.08Å; M9-F34 HydrophobicContact CE-CG 4.14Å; M9-F34 HydrophobicContact CG-CD2 4.41Å; M9-F34 HydrophobicContact CG-CE2 4.39Å; L10-F34 HydrophobicContact CD2-CE1 3.94Å; L10-F34 HydrophobicContact CD2-CZ 4.38Å; L10-F34 HydrophobicContact CG-CE1 4.16Å; L10-F34 HydrophobicContact CG-CZ 4.29Å; I13-F34 HydrophobicContact CD1-CE1 4.42Å; F31-F34 HydrophobicContact CE1-CD1 4.47Å; F31-F34 HydrophobicContact CE2-CB 3.93Å; F31-F34 HydrophobicContact CZ-CB 3.66Å; F31-F34 AromaticContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CG 4.07Å; F34-N39 CarbonylContact C-O 3.45Å; F34-N39 VanDerWaalsContact CA-O 3.26Å; F34-N39 WeakPolarHBondContact CA-O 2.69Å; F34-L40 HydrophobicContact CB-CD2 4Å
35D94.6Very high95.7Very high70 Ų7046.1 Ų46.137%0.37423%0.226SC..  trans-116.1171.1174.9-175.725000111.2H37 M38 N39D35-H37 PolarHBondContact O-N 2.96Å; D35-H37 VanDerWaalsContact O-N 3.1Å; D35-H37 IonicContact OD2-CD2 2.65Å; D35-M38 PolarHBondContact O-N 3.11Å; D35-N39 HydrophobicContact CB-CB 4.04Å; D35-N39 PolarHBondContact N-O 2.68Å; D35-N39 VanDerWaalsContact N-O 3.07Å; D35-N39 PolarHBondContact OD2-ND2 3.17Å; D35-N39 VanDerWaalsContact OD2-ND2 3.16Å
36K93.1Very high95.8Very high175 Ų17542.4 Ų42.476%0.76121%0.213SC*.THydrogen-bonded Turntrans-54.7-27174.474.7-174.1-174.4-175.50113.4
37H94.4Very high95.8Very high107 Ų10741.2 Ų41.250%0.49521%0.207SC..THydrogen-bonded Turntrans-92.57.4178.5-65-60.1000113.8D35 N39 G74D35-H37 PolarHBondContact O-N 2.96Å; D35-H37 VanDerWaalsContact O-N 3.1Å; D35-H37 IonicContact OD2-CD2 2.65Å; H37-N39 PolarHBondContact O-N 2.97Å; H37-G74 WeakPolarHBondContact O-CA 3.08Å
38M95.3Very high95.7Very high68 Ų6842.2 Ų42.234%0.33521%0.211SC..  trans62.124.4-170.8-61.9-66.3-65.100113.7M9 D35 L40 G74 L77M9-M38 HydrophobicContact CE-CE 3.62Å; M9-M38 HydrophobicContact CE-SD 4.24Å; M9-M38 HydrophobicContact SD-CE 3.99Å; D35-M38 PolarHBondContact O-N 3.11Å; M38-L40 HydrophobicContact CE-CD2 4.42Å; M38-L40 WeakPolarHBondContact O-CG 3.41Å; M38-L40 PolarHBondContact O-N 3.47Å; M38-G74 WeakPolarHBondContact O-CA 3.35Å; M38-G74 PolarHBondContact O-N 3.19Å; M38-L77 HydrophobicContact CB-CD2 4.41Å; M38-L77 HydrophobicContact CE-CD2 3.92Å
39N95.9Very high95.4Very high27 Ų2745.1 Ų45.114%0.14422%0.221CC..  trans-64.7127.8164.7-56.9-43.3000107.8F34 D35 H37 L72 R73 G74F34-N39 CarbonylContact C-O 3.45Å; F34-N39 VanDerWaalsContact CA-O 3.26Å; F34-N39 WeakPolarHBondContact CA-O 2.69Å; D35-N39 HydrophobicContact CB-CB 4.04Å; D35-N39 PolarHBondContact N-O 2.68Å; D35-N39 VanDerWaalsContact N-O 3.07Å; D35-N39 PolarHBondContact OD2-ND2 3.17Å; D35-N39 VanDerWaalsContact OD2-ND2 3.16Å; H37-N39 PolarHBondContact O-N 2.97Å; N39-L72 CarbonylContact C-O 3.58Å; N39-L72 WeakPolarHBondContact CA-O 3.39Å; N39-R73 WeakPolarHBondContact OD1-CA 3.31Å; N39-G74 PolarHBondContact OD1-N 3.19Å; N39-G74 VanDerWaalsContact OD1-N 3.15Å
40L96.2Very high94.6Very high0 Ų051.7 Ų51.70%025%0.25CC..EExtended strand (participates in β ladder)trans-112.2140.2-175.7-49.7-178.2000110.4M9 F31 A33 F34 M38 L71 L72 L77 M80M9-L40 HydrophobicContact CE-CD2 4.19Å; F31-L40 HydrophobicContact CD2-CB 4.38Å; F31-L40 HydrophobicContact CD2-CD2 4.38Å; F31-L40 HydrophobicContact CE2-CB 4.24Å; F31-L40 HydrophobicContact CE2-CD2 3.62Å; F31-L40 HydrophobicContact CE2-CG 4.39Å; F31-L40 HydrophobicContact CZ-CD2 4.34Å; A33-L40 WeakPolarHBondContact O-CA 3.2Å; F34-L40 HydrophobicContact CB-CD2 4Å; M38-L40 HydrophobicContact CE-CD2 4.42Å; M38-L40 WeakPolarHBondContact O-CG 3.41Å; M38-L40 PolarHBondContact O-N 3.47Å; L40-L71 CarbonylContact O-C 3.58Å; L40-L71 WeakPolarHBondContact O-CA 3.18Å; L40-L72 HydrophobicContact CB-CB 4.37Å; L40-L72 PolarHBondContact N-O 3.11Å; L40-L72 PolarHBondContact O-N 3.45Å; L40-L77 HydrophobicContact CD1-CD1 3.98Å; L40-L77 HydrophobicContact CD1-CD2 3.65Å; L40-L77 HydrophobicContact CD1-CG 4.44Å; L40-L77 HydrophobicContact CD2-CD2 4.38Å; L40-L77 HydrophobicContact CG-CD2 4.15Å; L40-M80 HydrophobicContact CD1-SD 3.93Å
41I97Very high93.8Very high51 Ų5154.9 Ų54.926%0.26227%0.266SS..EExtended strand (participates in β ladder)trans-102.7121.1165.9-54.3-59000108K32 A33 L69 L71K32-I41 HydrophobicContact CB-CG2 4.31Å; K32-I41 PolarHBondContact N-O 3.38Å; A33-I41 HydrophobicContact CB-CB 4.07Å; A33-I41 HydrophobicContact CB-CG1 3.93Å; A33-I41 PolarHBondContact O-N 3.1Å; I41-L69 HydrophobicContact CG2-CD1 3.92Å; I41-L71 HydrophobicContact CD1-CB 3.88Å; I41-L71 HydrophobicContact CD1-CD1 3.69Å; I41-L71 HydrophobicContact CD1-CG 3.73Å
42L97Very high92.7Very high0 Ų063.6 Ų63.60%030%0.304CS..EExtended strand (participates in β ladder)trans-117.8132.2176.1-59.6178.5000109F27 T30 F31 C45 V70 L72F27-L42 HydrophobicContact CB-CD1 4.08Å; T30-L42 CarbonylContact O-C 3.56Å; T30-L42 VanDerWaalsContact O-CA 3.3Å; T30-L42 WeakPolarHBondContact O-CA 3.3Å; F31-L42 HydrophobicContact CB-CD2 3.93Å; F31-L42 HydrophobicContact CD2-CD2 4.16Å; L42-C45 WeakPolarHBondContact CB-SG 3.43Å; L42-C45 PolarHBondContact O-SG 3.28Å; L42-V70 PolarHBondContact N-O 3.27Å; L42-V70 PolarHBondContact O-N 3.25Å; L42-L72 HydrophobicContact CD1-CD1 3.62Å; L42-L72 HydrophobicContact CD1-CG 4.37Å
43C96.1Very high91.6Very high31 Ų3162.3 Ų62.321%0.20930%0.304CS..EExtended strand (participates in β ladder)trans-99.9153.8171.6-70.40000111.1G29 T30 K32 C45 G68G29-C43 CarbonylContact C-O 3.59Å; G29-C43 WeakPolarHBondContact CA-O 3.26Å; T30-C43 PolarHBondContact N-O 3.26Å; T30-C43 PolarHBondContact O-N 3.05Å; K32-C43 HydrophobicContact CG-CB 4.29Å; K32-C43 VanDerWaalsContact CG-SG 3.57Å; C43-C45 PolarHBondContact O-N 3.26Å; C43-G68 CarbonylContact C-O 3.59Å
44D95.2Very high90.5Very high97 Ų9771.1 Ų71.152%0.51934%0.335SS..EExtended strand (participates in β ladder)trans48.446179.1-58.9-40000113.2G68D44-G68 PolarHBondContact N-O 2.93Å
45C96.4Very high89.5Confident0 Ų073.1 Ų73.10%035%0.349CS..EExtended strand (participates in β ladder)trans-78.4136.4-172.3-54.80000112.5I28 L42 C43 L67 G68 V70I28-C45 CarbonylContact O-C 3.55Å; I28-C45 WeakPolarHBondContact O-CA 3.46Å; L42-C45 WeakPolarHBondContact CB-SG 3.43Å; L42-C45 PolarHBondContact O-SG 3.28Å; C43-C45 PolarHBondContact O-N 3.26Å; C45-L67 HydrophobicContact CB-CB 4.31Å; C45-L67 PolarHBondContact O-N 2.96Å; C45-G68 WeakPolarHBondContact CB-O 3.49Å; C45-G68 PolarHBondContact N-O 3.26Å; C45-G68 PolarHBondContact O-N 2.87Å; C45-G68 PolarHBondContact SG-O 3.43Å; C45-V70 HydrophobicContact CB-CB 4.26Å; C45-V70 HydrophobicContact CB-CG2 3.64Å
46D96.4Very high88.2Confident11 Ų1175.6 Ų75.66%0.05937%0.372CS..EExtended strand (participates in β ladder)trans-112.3127.8167.1-68.9-42.7000109.5F27 I28 F48 K64 R65F27-D46 CarbonylContact C-O 3.56Å; F27-D46 WeakPolarHBondContact CA-O 3.36Å; I28-D46 PolarHBondContact N-O 2.79Å; I28-D46 PolarHBondContact O-N 2.86Å; D46-F48 HydrophobicContact CB-CD2 4.25Å; D46-F48 HydrophobicContact CB-CE2 3.5Å; D46-F48 HydrophobicContact CB-CZ 4.03Å; D46-K64 WeakPolarHBondContact OD1-CE 3.36Å; D46-K64 IonicContact OD1-NZ 3.73Å; D46-K64 WeakPolarHBondContact OD2-CE 3.46Å; D46-K64 IonicContact OD2-NZ 3.72Å; D46-K64 PolarHBondContact OD2-NZ 3.19Å; D46-R65 CarbonylContact C-O 3.56Å; D46-R65 WeakPolarHBondContact CA-O 3.48Å
47E95.1Very high87.5Confident11 Ų1176.5 Ų76.55%0.05138%0.376CS..EExtended strand (participates in β ladder)trans-91.9128.6168.8178.2-174.816900109.3R25 I26 F27 R49 K64 R65 L67R25-E47 VanDerWaalsContact CD-OE1 3.22Å; R25-E47 WeakPolarHBondContact CD-OE1 3.24Å; R25-E47 IonicContact CZ-OE1 3.55Å; R25-E47 IonicContact NE-OE1 3.56Å; R25-E47 IonicContact NH1-OE1 3.13Å; R25-E47 PolarHBondContact NH1-OE1 3.22Å; R25-E47 VanDerWaalsContact NH1-OE1 3.13Å; I26-E47 CarbonylContact O-C 3.52Å; I26-E47 WeakPolarHBondContact O-CA 3Å; F27-E47 HydrophobicContact CD1-CB 4.28Å; F27-E47 HydrophobicContact CE1-CB 4.02Å; F27-E47 HydrophobicContact CE1-CG 4.24Å; F27-E47 HydrophobicContact CE2-CG 4.26Å; F27-E47 HydrophobicContact CZ-CB 4.28Å; F27-E47 HydrophobicContact CZ-CG 3.98Å; E47-R49 HydrophobicContact CG-CG 4.43Å; E47-R49 IonicContact OE1-CZ 3.21Å; E47-R49 IonicContact OE1-NE 2.71Å; E47-R49 PolarHBondContact OE1-NE 3.25Å; E47-R49 IonicContact OE1-NH2 2.83Å; E47-R49 PolarHBondContact OE1-NH2 2.72Å; E47-R49 IonicContact OE2-NH2 3.73Å; E47-K64 CarbonylContact O-C 3.54Å; E47-R65 HydrophobicContact CB-CB 4.38Å; E47-R65 PolarHBondContact N-O 3.22Å; E47-R65 PolarHBondContact O-N 3.37Å; E47-L67 HydrophobicContact CB-CD1 3.77Å; E47-L67 HydrophobicContact CB-CG 4.28Å
48F93.9Very high86.1Confident32 Ų3277.9 Ų77.914%0.1438%0.382CS..EExtended strand (participates in β ladder)trans-113.7126.6175.4-65.8-94.7000109.9I26 I28 D46 E62 E63 K64I26-F48 HydrophobicContact CB-CB 4.23Å; I26-F48 PolarHBondContact N-O 3.18Å; I26-F48 VanDerWaalsContact N-O 3.11Å; I26-F48 PolarHBondContact O-N 3.05Å; I28-F48 HydrophobicContact CB-CE2 4.07Å; I28-F48 HydrophobicContact CD1-CD2 3.92Å; I28-F48 HydrophobicContact CD1-CE2 3.51Å; I28-F48 HydrophobicContact CD1-CZ 4.19Å; I28-F48 HydrophobicContact CG1-CD2 4Å; I28-F48 HydrophobicContact CG1-CE2 3.81Å; D46-F48 HydrophobicContact CB-CD2 4.25Å; D46-F48 HydrophobicContact CB-CE2 3.5Å; D46-F48 HydrophobicContact CB-CZ 4.03Å; F48-E62 HydrophobicContact CB-CG 3.8Å; F48-E62 WeakPolarHBondContact CB-OE1 3.47Å; F48-E62 VanDerWaalsContact CD1-CD 3.49Å; F48-E62 HydrophobicContact CD1-CG 3.77Å; F48-E62 HydrophobicContact CG-CG 4.24Å; F48-E63 WeakPolarHBondContact CA-O 3.07Å; F48-K64 HydrophobicContact CD1-CB 4.23Å; F48-K64 HydrophobicContact CE1-CB 4.01Å; F48-K64 HydrophobicContact CE1-CD 4.13Å; F48-K64 HydrophobicContact CE1-CG 3.98Å; F48-K64 HydrophobicContact CZ-CD 4.16Å; F48-K64 HydrophobicContact CZ-CG 4.18Å
49R90.9Very high84.7Confident68 Ų6879.5 Ų79.526%0.25740%0.398SS..EExtended strand (participates in β ladder)trans-111.8129.8175.7-63.8-177-179.4-173.32.3110.4R25 E47 I51 E63 R65R25-R49 VanDerWaalsContact NH1-NH2 3.15Å; E47-R49 HydrophobicContact CG-CG 4.43Å; E47-R49 IonicContact OE1-CZ 3.21Å; E47-R49 IonicContact OE1-NE 2.71Å; E47-R49 PolarHBondContact OE1-NE 3.25Å; E47-R49 IonicContact OE1-NH2 2.83Å; E47-R49 PolarHBondContact OE1-NH2 2.72Å; E47-R49 IonicContact OE2-NH2 3.73Å; R49-I51 PolarHBondContact O-N 3.08Å; R49-E63 HydrophobicContact CB-CB 4.39Å; R49-E63 PolarHBondContact N-O 3.24Å; R49-E63 PolarHBondContact O-N 2.77Å; R49-R65 VanDerWaalsContact CZ-NH1 3.28Å; R49-R65 VanDerWaalsContact NH1-NH1 3.15Å
50K80.1Confident83.3Confident138 Ų13883.9 Ų83.960%0.642%0.418SS*.EExtended strand (participates in β ladder)trans-76.599.9173.5-161.4178.2-162.1-1750109.7K52 E60K50-K52 PolarHBondContact O-N 2.93Å; K50-E60 WeakPolarHBondContact CE-OE1 3.25Å; K50-E60 WeakPolarHBondContact CE-OE2 3.42Å; K50-E60 IonicContact NZ-OE1 3.55Å; K50-E60 IonicContact NZ-OE2 2.68Å; K50-E60 PolarHBondContact NZ-OE2 2.91Å
51I80.8Confident82.1Confident78 Ų7893.4 Ų93.440%0.445%0.453SS..EExtended strand (participates in β ladder)trans-83114.3172.3-58.9-177.3000108.1R49 P53 R61 E63R49-I51 PolarHBondContact O-N 3.08Å; I51-P53 WeakPolarHBondContact O-CD 3.47Å; I51-R61 PolarHBondContact N-O 2.89Å; I51-E63 HydrophobicContact CD1-CB 3.78Å; I51-E63 HydrophobicContact CD1-CG 4.46Å; I51-E63 HydrophobicContact CG1-CB 4.18Å
52K72.3Confident81.2Confident182 Ų18295.4 Ų95.479%0.79146%0.462SS*.  trans-65118.3168.2-67.3-175.8-179.4-179.50108.1K50 K54K50-K52 PolarHBondContact O-N 2.93Å; K52-K54 PolarHBondContact O-N 3.15Å
53P72.9Confident80.7Confident58 Ų5898.4 Ų98.438%0.37748%0.476SS..  trans-63.4132.1179.325.3-32.1000109.1I51 N55 Q58I51-P53 WeakPolarHBondContact O-CD 3.47Å; P53-N55 PolarHBondContact O-N 2.87Å; P53-Q58 HydrophobicContact CB-CB 4.4Å
54K72.2Confident80.5Confident224 Ų224102.4 Ų102.497%0.97449%0.489SS*.SBendtrans-68.9-11.2175.7-71.5-175.9178.4-178.70112.9K52K52-K54 PolarHBondContact O-N 3.15Å
55N73Confident80.5Confident108 Ų108102.2 Ų102.258%0.57848%0.481SS*.SBendtrans-135.6127.1-176.6-153.3-13.8000109.7P53 K57 Q58P53-N55 PolarHBondContact O-N 2.87Å; N55-K57 PolarHBondContact O-N 3.16Å; N55-Q58 PolarHBondContact O-N 2.87Å
56S68.3Low80.4Confident122 Ų122107.6 Ų107.685%0.85351%0.514SS*.THydrogen-bonded Turntrans-66.5-5.4-16948.70000115.3
57K77.7Confident80.4Confident194 Ų194110.8 Ų110.884%0.84353%0.531SS*.THydrogen-bonded Turntrans-97.5-5.2178.6-72.5-177177.7-179.40114.9N55N55-K57 PolarHBondContact O-N 3.16Å
58Q65.7Low80.4Confident135 Ų135111.2 Ų111.263%0.63154%0.539SS*.SBendtrans-99.1135.9179.9-75-75.2-14.700110.6P53 N55P53-Q58 HydrophobicContact CB-CB 4.4Å; N55-Q58 PolarHBondContact O-N 2.87Å
59P66.4Low80.5Confident103 Ų103116 Ų11667%0.66957%0.565SS**  trans-59.7147.4175.625.6-33.1000110.6R61P59-R61 PolarHBondContact O-N 2.85Å; P59-R61 VanDerWaalsContact O-N 3.1Å
60E65.5Low80.8Confident119 Ų119113.8 Ų113.856%0.55656%0.559SS**  trans-57.3115.3176.1-159.9-169.4110.700109.2K50K50-E60 WeakPolarHBondContact CE-OE1 3.25Å; K50-E60 WeakPolarHBondContact CE-OE2 3.42Å; K50-E60 IonicContact NZ-OE1 3.55Å; K50-E60 IonicContact NZ-OE2 2.68Å; K50-E60 PolarHBondContact NZ-OE2 2.91Å
61R71.9Confident81.6Confident200 Ų200112.9 Ų112.976%0.75556%0.56SS**EExtended strand (participates in β ladder)trans-101.7117.6-177.5-171.6175.8178.5-176.3-0.6109.3I51 P59I51-R61 PolarHBondContact N-O 2.89Å; P59-R61 PolarHBondContact O-N 2.85Å; P59-R61 VanDerWaalsContact O-N 3.1Å
62E78.1Confident82.3Confident92 Ų92109.9 Ų109.943%0.4354%0.544SS..EExtended strand (participates in β ladder)trans-81.9120.1171.4-154.3174.4-171.200108.7F48F48-E62 HydrophobicContact CB-CG 3.8Å; F48-E62 WeakPolarHBondContact CB-OE1 3.47Å; F48-E62 VanDerWaalsContact CD1-CD 3.49Å; F48-E62 HydrophobicContact CD1-CG 3.77Å; F48-E62 HydrophobicContact CG-CG 4.24Å
63E86.9Confident83.4Confident63 Ų63107.6 Ų107.629%0.29453%0.531SS..EExtended strand (participates in β ladder)trans-84.5116.3175.8-175.2-169.7163.800108.9F48 R49 I51 R65F48-E63 WeakPolarHBondContact CA-O 3.07Å; R49-E63 HydrophobicContact CB-CB 4.39Å; R49-E63 PolarHBondContact N-O 3.24Å; R49-E63 PolarHBondContact O-N 2.77Å; I51-E63 HydrophobicContact CD1-CB 3.78Å; I51-E63 HydrophobicContact CD1-CG 4.46Å; I51-E63 HydrophobicContact CG1-CB 4.18Å; E63-R65 IonicContact OE1-CZ 3.26Å; E63-R65 VanDerWaalsContact OE1-CZ 3.26Å; E63-R65 IonicContact OE1-NE 2.86Å; E63-R65 PolarHBondContact OE1-NE 3.44Å; E63-R65 IonicContact OE1-NH2 2.78Å; E63-R65 PolarHBondContact OE1-NH2 3.2Å; E63-R65 IonicContact OE2-NH2 3.61Å
64K91.5Very high84.6Confident115 Ų115105.4 Ų105.450%0.552%0.518SS..EExtended strand (participates in β ladder)trans-92.1129.5177.3180178.6176.8164.80110.9D46 E47 F48D46-K64 WeakPolarHBondContact OD1-CE 3.36Å; D46-K64 IonicContact OD1-NZ 3.73Å; D46-K64 WeakPolarHBondContact OD2-CE 3.46Å; D46-K64 IonicContact OD2-NZ 3.72Å; D46-K64 PolarHBondContact OD2-NZ 3.19Å; E47-K64 CarbonylContact O-C 3.54Å; F48-K64 HydrophobicContact CD1-CB 4.23Å; F48-K64 HydrophobicContact CE1-CB 4.01Å; F48-K64 HydrophobicContact CE1-CD 4.13Å; F48-K64 HydrophobicContact CE1-CG 3.98Å; F48-K64 HydrophobicContact CZ-CD 4.16Å; F48-K64 HydrophobicContact CZ-CG 4.18Å
65R94.8Very high85.7Confident93 Ų93101 Ų10135%0.35150%0.501SS..EExtended strand (participates in β ladder)trans-125.2125.8170.9-63.6-178.1-176.3-169.90.2110.1D46 E47 R49 E63D46-R65 CarbonylContact C-O 3.56Å; D46-R65 WeakPolarHBondContact CA-O 3.48Å; E47-R65 HydrophobicContact CB-CB 4.38Å; E47-R65 PolarHBondContact N-O 3.22Å; E47-R65 PolarHBondContact O-N 3.37Å; R49-R65 VanDerWaalsContact CZ-NH1 3.28Å; R49-R65 VanDerWaalsContact NH1-NH1 3.15Å; E63-R65 IonicContact OE1-CZ 3.26Å; E63-R65 VanDerWaalsContact OE1-CZ 3.26Å; E63-R65 IonicContact OE1-NE 2.86Å; E63-R65 PolarHBondContact OE1-NE 3.44Å; E63-R65 IonicContact OE1-NH2 2.78Å; E63-R65 PolarHBondContact OE1-NH2 3.2Å; E63-R65 IonicContact OE2-NH2 3.61Å
66V95.3Very high86.8Confident114 Ų11499.2 Ų99.269%0.69149%0.492SS*.EExtended strand (participates in β ladder)trans-82.7128.4176.4-174.90000108.7
67L95.1Very high88.1Confident77 Ų7794.8 Ų94.840%0.40346%0.458SS..EExtended strand (participates in β ladder)trans-113.5-38.7-179.6-60.2177.8000112.5F27 C45 E47 V70F27-L67 HydrophobicContact CD1-CD1 3.87Å; F27-L67 HydrophobicContact CE1-CD1 3.34Å; F27-L67 HydrophobicContact CZ-CD1 4.38Å; C45-L67 HydrophobicContact CB-CB 4.31Å; C45-L67 PolarHBondContact O-N 2.96Å; E47-L67 HydrophobicContact CB-CD1 3.77Å; E47-L67 HydrophobicContact CB-CG 4.28Å; L67-V70 HydrophobicContact CB-CG2 3.58Å; L67-V70 HydrophobicContact CD1-CG2 3.79Å; L67-V70 HydrophobicContact CG-CG2 4.36Å
68G95.8Very high89Confident21 Ų2190 Ų9022%0.21645%0.445CS..EExtended strand (participates in β ladder)trans88-116.6-174.700000112.1C43 D44 C45C43-G68 CarbonylContact C-O 3.59Å; D44-G68 PolarHBondContact N-O 2.93Å; C45-G68 WeakPolarHBondContact CB-O 3.49Å; C45-G68 PolarHBondContact N-O 3.26Å; C45-G68 PolarHBondContact O-N 2.87Å; C45-G68 PolarHBondContact SG-O 3.43Å
69L95.8Very high90.3Very high132 Ų13285.9 Ų85.969%0.69143%0.432SS*.EExtended strand (participates in β ladder)trans-85.5125179-178.466.8000110.9I41I41-L69 HydrophobicContact CG2-CD1 3.92Å
70V96.7Very high91.7Very high22 Ų2282.9 Ų82.913%0.13341%0.409CS..EExtended strand (participates in β ladder)trans-131.8135.2-177.4-1790000110.9F27 L42 C45 L67 L72F27-V70 HydrophobicContact CD1-CG1 4.5Å; F27-V70 HydrophobicContact CE1-CG1 4.36Å; L42-V70 PolarHBondContact N-O 3.27Å; L42-V70 PolarHBondContact O-N 3.25Å; C45-V70 HydrophobicContact CB-CB 4.26Å; C45-V70 HydrophobicContact CB-CG2 3.64Å; L67-V70 HydrophobicContact CB-CG2 3.58Å; L67-V70 HydrophobicContact CD1-CG2 3.79Å; L67-V70 HydrophobicContact CG-CG2 4.36Å; V70-L72 HydrophobicContact CG1-CD2 3.82Å; V70-L72 HydrophobicContact CG1-CG 4.03Å
71L96.2Very high93.1Very high119 Ų11980.6 Ų80.662%0.62340%0.403SS*.EExtended strand (participates in β ladder)trans-101.9114.6164.3-175.8155.6000108.6L40 I41L40-L71 CarbonylContact O-C 3.58Å; L40-L71 WeakPolarHBondContact O-CA 3.18Å; I41-L71 HydrophobicContact CD1-CB 3.88Å; I41-L71 HydrophobicContact CD1-CD1 3.69Å; I41-L71 HydrophobicContact CD1-CG 3.73Å
72L96.4Very high94.3Very high14 Ų1474.4 Ų74.47%0.07339%0.387CS..EExtended strand (participates in β ladder)trans-94.8137.1173-67.4179.8000110.1C19 L21 F27 N39 L40 L42 V70C19-L72 HydrophobicContact CB-CD1 4.14Å; L21-L72 HydrophobicContact CD1-CD1 4.17Å; L21-L72 HydrophobicContact CD2-CD2 4.45Å; F27-L72 HydrophobicContact CB-CD1 4.19Å; F27-L72 HydrophobicContact CD1-CD2 4.25Å; F27-L72 HydrophobicContact CD2-CD1 4.45Å; F27-L72 HydrophobicContact CD2-CD2 4.39Å; F27-L72 HydrophobicContact CE1-CD2 4.13Å; F27-L72 HydrophobicContact CE2-CD2 4.31Å; F27-L72 HydrophobicContact CG-CD1 4.19Å; F27-L72 HydrophobicContact CG-CD2 4.37Å; F27-L72 HydrophobicContact CZ-CD2 4.17Å; N39-L72 CarbonylContact C-O 3.58Å; N39-L72 WeakPolarHBondContact CA-O 3.39Å; L40-L72 HydrophobicContact CB-CB 4.37Å; L40-L72 PolarHBondContact N-O 3.11Å; L40-L72 PolarHBondContact O-N 3.45Å; L42-L72 HydrophobicContact CD1-CD1 3.62Å; L42-L72 HydrophobicContact CD1-CG 4.37Å; V70-L72 HydrophobicContact CG1-CD2 3.82Å; V70-L72 HydrophobicContact CG1-CG 4.03Å
73R96.4Very high95.1Very high135 Ų13573.8 Ų73.851%0.50939%0.385SS..  trans-82.8130.5173-175.2150.8177.483.6-4.2110.3N39 E75 N76N39-R73 WeakPolarHBondContact OD1-CA 3.31Å; R73-E75 HydrophobicContact CG-CB 4.26Å; R73-E75 IonicContact NE-OE2 3.59Å; R73-E75 PolarHBondContact O-N 3.26Å; R73-N76 PolarHBondContact O-N 3.28Å
74G96.3Very high95.5Very high11 Ų1171.4 Ų71.411%0.11338%0.377CS..G310 helixtrans-67.5-19.8-172.600000115.6H37 M38 N39 N76 L77H37-G74 WeakPolarHBondContact O-CA 3.08Å; M38-G74 WeakPolarHBondContact O-CA 3.35Å; M38-G74 PolarHBondContact O-N 3.19Å; N39-G74 PolarHBondContact OD1-N 3.19Å; N39-G74 VanDerWaalsContact OD1-N 3.15Å; G74-N76 VanDerWaalsContact C-N 3.26Å; G74-N76 PolarHBondContact O-N 2.83Å; G74-L77 WeakPolarHBondContact O-CB 3.43Å; G74-L77 PolarHBondContact O-N 2.84Å
75E96.7Very high95.6Very high131 Ų13170.8 Ų70.861%0.61239%0.385SS*.G310 helixtrans-59.6-36.8173.2-175177.6172.800112.5Q22 R73Q22-E75 PolarHBondContact NE2-O 3.31Å; R73-E75 HydrophobicContact CG-CB 4.26Å; R73-E75 IonicContact NE-OE2 3.59Å; R73-E75 PolarHBondContact O-N 3.26Å
76N95.6Very high95.6Very high72 Ų7268.8 Ų68.839%0.38538%0.383SS..G310 helixtrans-86.8-7.3-179.3-65.4-54.3000113.1L21 Q22 R73 G74L21-N76 CarbonylContact C-O 3.59Å; L21-N76 WeakPolarHBondContact CA-O 3.26Å; L21-N76 HydrophobicContact CD2-CB 4.42Å; L21-N76 HydrophobicContact CG-CB 4.38Å; Q22-N76 PolarHBondContact N-O 2.71Å; R73-N76 PolarHBondContact O-N 3.28Å; G74-N76 VanDerWaalsContact C-N 3.26Å; G74-N76 PolarHBondContact O-N 2.83Å
77L95.7Very high95.2Very high28 Ų2866.3 Ų66.315%0.14737%0.37CS..EExtended strand (participates in β ladder)trans-80.7124.6-177-177.271.3000110.1C19 M38 L40 G74C19-L77 HydrophobicContact CB-CD1 3.86Å; M38-L77 HydrophobicContact CB-CD2 4.41Å; M38-L77 HydrophobicContact CE-CD2 3.92Å; L40-L77 HydrophobicContact CD1-CD1 3.98Å; L40-L77 HydrophobicContact CD1-CD2 3.65Å; L40-L77 HydrophobicContact CD1-CG 4.44Å; L40-L77 HydrophobicContact CD2-CD2 4.38Å; L40-L77 HydrophobicContact CG-CD2 4.15Å; G74-L77 WeakPolarHBondContact O-CB 3.43Å; G74-L77 PolarHBondContact O-N 2.84Å
78V95.6Very high94.6Very high94 Ų9472.6 Ų72.657%0.5739%0.394SS*.EExtended strand (participates in β ladder)trans-96.4-50.7176.6179.40000110.6I20 Q22I20-V78 PolarHBondContact O-N 3.13Å; Q22-V78 HydrophobicContact CB-CG2 4.17Å; Q22-V78 HydrophobicContact CG-CG2 3.53Å
79S94.3Very high93.3Very high49 Ų4978.2 Ų78.234%0.34342%0.419SS..EExtended strand (participates in β ladder)trans-153.9159.1-178.7650000111.7I20I20-S79 PolarHBondContact N-O 2.62Å; I20-S79 PolarHBondContact O-N 2.78Å
80M94.8Very high91.4Very high40 Ų4077.2 Ų77.220%0.19742%0.419CS..EExtended strand (participates in β ladder)trans-137.6134.5177.2-170.6179.453.200109.6M9 M17 R18 F31 L40M9-M80 HydrophobicContact CE-CE 3.45Å; M9-M80 VanDerWaalsContact CE-CE 3.45Å; M9-M80 HydrophobicContact SD-CE 3.75Å; M17-M80 HydrophobicContact CB-CG 3.88Å; M17-M80 HydrophobicContact CB-SD 3.87Å; M17-M80 HydrophobicContact CE-CE 3.67Å; M17-M80 HydrophobicContact CE-CG 3.55Å; M17-M80 HydrophobicContact CE-SD 3.72Å; M17-M80 HydrophobicContact CG-CG 4.37Å; M17-M80 HydrophobicContact CG-SD 3.97Å; R18-M80 CarbonylContact O-C 3.59Å; R18-M80 VanDerWaalsContact O-CA 3.24Å; R18-M80 WeakPolarHBondContact O-CA 3.39Å; F31-M80 HydrophobicContact CD2-SD 4.47Å; F31-M80 HydrophobicContact CG-SD 4.45Å; L40-M80 HydrophobicContact CD1-SD 3.93Å
81T96.2Very high89.4Confident70 Ų7078.8 Ų78.843%0.42944%0.439SS..EExtended strand (participates in β ladder)trans-132.6153.2178.862.90000111.4M17 R18 E83M17-T81 CarbonylContact C-O 3.58Å; M17-T81 WeakPolarHBondContact CA-O 3.47Å; R18-T81 PolarHBondContact N-O 3.07Å; R18-T81 PolarHBondContact O-N 2.83Å; T81-E83 PolarHBondContact O-N 2.85Å
82V96.7Very high87.5Confident70 Ų7080.4 Ų80.442%0.42445%0.447SS..EExtended strand (participates in β ladder)trans-73.6121.3175.1-1790000108.6F15 M17F15-V82 HydrophobicContact CD1-CG1 3.64Å; F15-V82 HydrophobicContact CE1-CG1 4.35Å; F15-V82 HydrophobicContact CG-CG1 4.45Å; M17-V82 HydrophobicContact CE-CG2 3.98Å; M17-V82 HydrophobicContact SD-CB 4.22Å; M17-V82 HydrophobicContact SD-CG2 3.72Å
83E94.9Very high85.3Confident80 Ų8084.1 Ų84.137%0.37448%0.479SS..EExtended strand (participates in β ladder)trans-95.1-40.9176-168.8-87.4156.900111.3R16 R18 I28 T81R16-E83 WeakPolarHBondContact CD-OE2 3.16Å; R16-E83 WeakPolarHBondContact CG-OE2 3.26Å; R16-E83 IonicContact CZ-OE2 2.72Å; R16-E83 IonicContact NE-OE2 3.57Å; R16-E83 IonicContact NH1-OE1 3.74Å; R16-E83 IonicContact NH1-OE2 2.94Å; R16-E83 PolarHBondContact NH1-OE2 2.9Å; R16-E83 WeakPolarHBondContact O-CA 3.49Å; R16-E83 WeakPolarHBondContact O-CB 3.44Å; R16-E83 PolarHBondContact O-N 2.84Å; R18-E83 HydrophobicContact CB-CB 4.36Å; I28-E83 HydrophobicContact CG2-CB 4.35Å; I28-E83 HydrophobicContact CG2-CG 4.04Å; T81-E83 PolarHBondContact O-N 2.85Å
84G94.9Very high83.3Confident12 Ų1288.5 Ų88.512%0.12450%0.496CS..EExtended strand (participates in β ladder)trans-156.6163.9-176.500000113.3R16R16-G84 PolarHBondContact N-O 2.86Å; R16-G84 VanDerWaalsContact N-O 3.1Å; R16-G84 PolarHBondContact O-N 2.85Å; R16-G84 VanDerWaalsContact O-N 3.12Å
85P94.5Very high81.1Confident103 Ų10393.9 Ų93.967%0.66953%0.526SS*.PPolyproline II helixtrans-63.2162177.229.9-35.9000111.1P87P85-P87 WeakPolarHBondContact O-CD 3.47Å
86P92.9Very high78.9Confident50 Ų5093.1 Ų93.133%0.32553%0.533SS..PPolyproline II helixtrans-56.6126.5175.1-2636000111.8D14 F15 K88D14-P86 HydrophobicContact CB-CB 4.08Å; D14-P86 HydrophobicContact CB-CG 4.44Å; D14-P86 WeakPolarHBondContact O-CA 3.49Å; D14-P86 VanDerWaalsContact O-CB 3.26Å; D14-P86 WeakPolarHBondContact O-CB 3.38Å; F15-P86 HydrophobicContact CD1-CG 4.2Å; F15-P86 HydrophobicContact CD2-CG 3.62Å; F15-P86 HydrophobicContact CE1-CG 4.25Å; F15-P86 HydrophobicContact CE2-CG 3.64Å; F15-P86 HydrophobicContact CG-CG 3.9Å; F15-P86 HydrophobicContact CZ-CG 3.97Å; P86-K88 PolarHBondContact O-N 2.88Å
87P88.6Confident76.9Confident63 Ų6395.5 Ų95.541%0.40955%0.545SS..PPolyproline II helixtrans-57.8136.4168.8-22.634.1000109.7D14 P85 D89D14-P87 WeakPolarHBondContact O-CD 3.38Å; P85-P87 WeakPolarHBondContact O-CD 3.47Å; P87-D89 VanDerWaalsContact C-N 3.32Å; P87-D89 PolarHBondContact O-N 3.09Å
88K81.7Confident75Confident208 Ų20899 Ų9990%0.90458%0.578SS**SBendtrans-73.187.7177.6-52178.8-173.2-177.50108P86P86-K88 PolarHBondContact O-N 2.88Å
89D68Low73.2Confident139 Ų13998.2 Ų98.274%0.74359%0.589SS**  trans31.497.6174.5-86.2-61.9000117.1P87 G91P87-D89 VanDerWaalsContact C-N 3.32Å; P87-D89 PolarHBondContact O-N 3.09Å; D89-G91 VanDerWaalsContact C-N 3.33Å; D89-G91 PolarHBondContact O-N 3.35Å
90T56.3Low71.2Confident112 Ų112101.1 Ų101.169%0.68760%0.604SS**  trans-84.789141.831.30000106.9I92T90-I92 PolarHBondContact O-N 3.07Å
91G55.7Low69.2Low54 Ų54104 Ų10456%0.55763%0.634SS**  trans-44.9134.4172.100000109.9D89 A93D89-G91 VanDerWaalsContact C-N 3.33Å; D89-G91 PolarHBondContact O-N 3.35Å; G91-A93 PolarHBondContact O-N 3.34Å; G91-A93 VanDerWaalsContact O-N 3.07Å
92I54.9Low66.9Low153 Ų153103.6 Ų103.679%0.78564%0.644SS**  trans-22.4117162.5-60.4159.2000107.6T90 R94T90-I92 PolarHBondContact O-N 3.07Å; I92-R94 PolarHBondContact O-N 2.76Å
93A51.2Low65.1Low92 Ų92102.7 Ų102.776%0.7665%0.649SS**  trans-50.994.6166.800000106.1G91 V95G91-A93 PolarHBondContact O-N 3.34Å; G91-A93 VanDerWaalsContact O-N 3.07Å; A93-V95 PolarHBondContact O-N 2.9Å
94R53.1Low63.2Low228 Ų228106 Ų10686%0.8668%0.678SS**  trans-64.3101.5169.8-72.5-175.6172.3160.1-0.9101.3I92 P96I92-R94 PolarHBondContact O-N 2.76Å; R94-P96 VanDerWaalsContact O-CD 3.28Å; R94-P96 WeakPolarHBondContact O-CD 3.45Å
95V49.9Very low61.7Low123 Ų123109.3 Ų109.375%0.74571%0.711SS**  trans-36.8117.8151.5-178.60000103.9A93 L97A93-V95 PolarHBondContact O-N 2.9Å; V95-L97 VanDerWaalsContact C-N 3.25Å; V95-L97 PolarHBondContact O-N 3.49Å
96P51.3Low60Low116 Ų116109.6 Ų109.675%0.75371%0.711SS**  trans-54.7105174-23.332.8000105.3R94 A98R94-P96 VanDerWaalsContact O-CD 3.28Å; R94-P96 WeakPolarHBondContact O-CD 3.45Å; P96-A98 PolarHBondContact O-N 2.88Å
97L52.7Low58.6Low122 Ų122110.7 Ų110.764%0.63973%0.731SS**  trans-65.6101.8172.3174.167.1000103.2V95 G99 V100V95-L97 VanDerWaalsContact C-N 3.25Å; V95-L97 PolarHBondContact O-N 3.49Å; L97-G99 VanDerWaalsContact C-N 3.33Å; L97-G99 PolarHBondContact O-N 2.87Å; L97-V100 HydrophobicContact CB-CG2 3.73Å; L97-V100 HydrophobicContact CD2-CG2 4.02Å; L97-V100 HydrophobicContact CG-CG2 4.09Å; L97-V100 VanDerWaalsContact O-CG2 3.31Å; L97-V100 WeakPolarHBondContact O-CG2 3.47Å; L97-V100 PolarHBondContact O-N 3.1Å
98A56.2Low57.2Low102 Ų102119.3 Ų119.384%0.84376%0.756SS**THydrogen-bonded Turntrans-54.1103.2171.100000106.7P96P96-A98 PolarHBondContact O-N 2.88Å
99G58.8Low56.4Low77 Ų77114 Ų11479%0.79475%0.75SS**THydrogen-bonded Turntrans131.1-7.2178.300000117.5L97 A101L97-G99 VanDerWaalsContact C-N 3.33Å; L97-G99 PolarHBondContact O-N 2.87Å; G99-A101 PolarHBondContact O-N 3.16Å
100V52.1Low56Low109 Ų109112.6 Ų112.666%0.66176%0.758SS**SBendtrans-80.4113.8170.6-111.20000110L97 G102L97-V100 HydrophobicContact CB-CG2 3.73Å; L97-V100 HydrophobicContact CD2-CG2 4.02Å; L97-V100 HydrophobicContact CG-CG2 4.09Å; L97-V100 VanDerWaalsContact O-CG2 3.31Å; L97-V100 WeakPolarHBondContact O-CG2 3.47Å; L97-V100 PolarHBondContact O-N 3.1Å; V100-G102 PolarHBondContact O-N 3.17Å
101A51.5Low55.8Low101 Ų101110.4 Ų110.484%0.83576%0.757SS**  trans-41129.6-17500000113.7G99G99-A101 PolarHBondContact O-N 3.16Å
102G49.8Very low56Low61 Ų61120 Ų12063%0.62978%0.777SS**PPolyproline II helixtrans-58.5133.8-176.700000113.8V100V100-G102 PolarHBondContact O-N 3.17Å
103G58.3Low56Low51 Ų51116 Ų11653%0.52677%0.774SS.*PPolyproline II helixtrans-73.3162.6156.200000111.1G105G103-G105 PolarHBondContact O-N 3.48Å
104P55.2Low56Low151 Ų151118.2 Ų118.298%0.98178%0.778SS**THydrogen-bonded Turntrans-58.3120.9177.8-19.331.1000110.4
105G62.1Low55.9Low80 Ų80112.9 Ų112.983%0.82577%0.772SS**THydrogen-bonded Turntrans123.510.4-179.100000116.5G103 G107G103-G105 PolarHBondContact O-N 3.48Å; G105-G107 PolarHBondContact O-N 3.34Å
106V60.1Low56.2Low110 Ų110112.4 Ų112.467%0.66778%0.781SS**  trans-72.1113.8174.2-177.80000110.5R108V106-R108 PolarHBondContact O-N 3.39Å
107G63.9Low56.5Low73 Ų73110.6 Ų110.675%0.75378%0.784SS**  trans-66110.3171.500000110.9G105 A109G105-G107 PolarHBondContact O-N 3.34Å; G107-A109 PolarHBondContact O-N 2.65Å
108R59.5Low56.3Low244 Ų244108.9 Ų108.992%0.92179%0.788SS**  trans-63.3121165.8-91.8-171.9174.6176.4-0.6108.3V106 A110V106-R108 PolarHBondContact O-N 3.39Å; R108-A110 PolarHBondContact O-N 3.34Å
109A63.2Low56Low96 Ų96110.1 Ų110.179%0.79379%0.787SS**  trans-57.9123.2163.700000108.5G107 G111G107-A109 PolarHBondContact O-N 2.65Å; A109-G111 PolarHBondContact O-N 2.74Å
110A59.5Low55.7Low110 Ų110114.7 Ų114.791%0.90979%0.79SS**  trans-71.577.2176.500000109.7R108 R112R108-A110 PolarHBondContact O-N 3.34Å; A110-R112 PolarHBondContact O-N 3.44Å
111G53.1Low55.8Low65 Ų65114.9 Ų114.967%0.6779%0.793SS**  trans-74.3103.6174.500000111.1A109A109-G111 PolarHBondContact O-N 2.74Å
112R59.1Low56Low255 Ų255119.5 Ų119.596%0.96280%0.798SS**SBendtrans14.1109.7145.5-168.9154.6176.1151.8-6.3117A110A110-R112 PolarHBondContact O-N 3.44Å
113G55Low56.1Low71 Ų71120.6 Ų120.673%0.73280%0.801SS**  trans97.478.8158.400000114.9
114V51.7Low55.9Low138 Ų138124.2 Ų124.284%0.83682%0.815SS**  trans-88.3124.8164.6-157.20000107.5A116V114-A116 PolarHBondContact O-N 2.93Å
115P50.3Low56.1Low115 Ų115122.6 Ų122.675%0.74781%0.814SS**  trans-63.6132.5175.324.4-31.2000110.2G117P115-G117 PolarHBondContact O-N 2.82Å
116A56.2Low56.2Low113 Ų113122.1 Ų122.193%0.93481%0.81SS**SBendtrans-61.8115.2173.500000109.4V114V114-A116 PolarHBondContact O-N 2.93Å
117G58.5Low56.3Low79 Ų79125.2 Ų125.281%0.81482%0.821SS**  trans162.213.1174.100000119.3P115P115-G117 PolarHBondContact O-N 2.82Å
118A48.3Very low56Low86 Ų86126.6 Ų126.671%0.71183%0.826SS**  trans-109.8133173.900000111.2M120A118-M120 PolarHBondContact O-N 3.1Å
119P50.5Low56.3Low128 Ų128117.5 Ų117.583%0.83181%0.808SS**PPolyproline II helixtrans-70.9116.3177.827.1-28.3000109.3
120M52.6Low56.2Low172 Ų172119.4 Ų119.485%0.84781%0.812SS**PPolyproline II helixtrans-75.1132.1178.4-79.6-76.2-71.200110.6A118 Q122A118-M120 PolarHBondContact O-N 3.1Å; M120-Q122 PolarHBondContact O-N 3.36Å
121P54.5Low56.1Low114 Ų114119.6 Ų119.674%0.7480%0.802SS**PPolyproline II helixtrans-63129.7166.3-16.829.9000110A123P121-A123 PolarHBondContact O-N 2.94Å
122Q54.3Low56.2Low198 Ų198128.6 Ų128.693%0.92582%0.815SS**PPolyproline II helixtrans-60.6117.8-178.4-162.8169.1-29.700110.5M120M120-Q122 PolarHBondContact O-N 3.36Å
123A51.7Low56.4Low84 Ų84120 Ų12069%0.69481%0.806SS**PPolyproline II helixtrans-71.9146.8175.100000110.9P121P121-A123 PolarHBondContact O-N 2.94Å
124P54.8Low56.7Low127 Ų127122.9 Ų122.983%0.82581%0.809SS**PPolyproline II helixtrans-58.9135.9-175.9-23.132.7000113.7G126P124-G126 PolarHBondContact O-N 2.92Å; P124-G126 VanDerWaalsContact O-N 3.1Å
125A59.7Low57.4Low116 Ų116120.2 Ų120.296%0.95981%0.81SS**THydrogen-bonded Turntrans-68.410317900000110.8
126G63.1Low58.3Low71 Ų71117.8 Ų117.873%0.73281%0.806SS**THydrogen-bonded Turntrans172.3-15.4175.300000116.4P124P124-G126 PolarHBondContact O-N 2.92Å; P124-G126 VanDerWaalsContact O-N 3.1Å
127L63.6Low58.6Low174 Ų174116.7 Ų116.791%0.91179%0.789SS**  trans-12448.1176.1-134.585.7000111.6G129L127-G129 PolarHBondContact O-N 3.1Å; L127-G129 VanDerWaalsContact O-N 3.11Å
128A57.8Low58.6Low102 Ų102116.1 Ų116.184%0.84377%0.773SS**  trans-69.2105.6169.100000108.2
129G64.2Low59.2Low53 Ų53120.5 Ų120.555%0.54678%0.778SS.*PPolyproline II helixtrans-57160168.500000111.1L127 V131L127-G129 PolarHBondContact O-N 3.1Å; L127-G129 VanDerWaalsContact O-N 3.11Å; G129-V131 PolarHBondContact O-N 2.81Å
130P62.9Low59.7Low136 Ų136122.4 Ų122.488%0.88378%0.776SS**SBendtrans-52.9131179.619.1-29.6000110.7R132P130-R132 PolarHBondContact O-N 3.41Å
131V55.8Low60.3Low115 Ų115119.3 Ų119.370%0.69777%0.767SS**PPolyproline II helixtrans-51.3125.9-175.7169.60000110.3G129 G133G129-V131 PolarHBondContact O-N 2.81Å; V131-G133 PolarHBondContact O-N 2.79Å
132R56.8Low60.6Low253 Ų253120.9 Ų120.996%0.95577%0.766SS**THydrogen-bonded Turntrans-60.8100.8170.9-178.2173.8176.1145-2108.7P130P130-R132 PolarHBondContact O-N 3.41Å
133G62.5Low61.2Low74 Ų74116 Ų11676%0.76375%0.75SS**THydrogen-bonded Turntrans137.50.5171.500000117.5V131V131-G133 PolarHBondContact O-N 2.79Å
134V61.9Low61.6Low132 Ų132118.1 Ų118.180%0.876%0.756SS**SBendtrans-117.7110176.9-169.40000110.2
135G64.8Low61.8Low82 Ų82121.3 Ų121.385%0.84576%0.76SS**SBendtrans103.312.2165.100000117.9
136G70.3Confident61.5Low64 Ų64119.5 Ų119.566%0.6675%0.753SS**PPolyproline II helixtrans-91.1142.5171.200000112.1S138G136-S138 PolarHBondContact O-N 3.34Å
137P62.3Low60.6Low90 Ų90128.5 Ų128.558%0.58477%0.765SS**PPolyproline II helixtrans-56138.2175.322.9-31.6000110.4M142P137-M142 HydrophobicContact CG-CE 4.38Å
138S57.9Low59.5Low68 Ų68123 Ų12348%0.47675%0.75SS.*PPolyproline II helixtrans-56.2147.7-174.8550000111.5G136 Q140 V141G136-S138 PolarHBondContact O-N 3.34Å; S138-Q140 PolarHBondContact O-N 3.44Å; S138-V141 PolarHBondContact O-N 3.12Å
139Q60.5Low58.7Low178 Ų178125.1 Ų125.183%0.83275%0.753SS**G310 helixtrans-56.4-19.1-178.7-69.6-160.12500113.8V141 M142 T143Q139-V141 VanDerWaalsContact C-N 3.28Å; Q139-V141 PolarHBondContact O-N 3.49Å; Q139-M142 PolarHBondContact O-N 2.91Å; Q139-T143 PolarHBondContact O-OG1 3.19Å
140Q61.5Low57.2Low167 Ų167129.6 Ų129.678%0.7877%0.769SS**G310 helixtrans-67.4-24.4174.4-69.1177.4-10.300113.5S138 T143S138-Q140 PolarHBondContact O-N 3.44Å; Q140-T143 PolarHBondContact O-OG1 3.12Å
141V64.8Low55.8Low107 Ų107127.5 Ų127.565%0.64876%0.764SS**G310 helixtrans-82.1-20178.8-175.20000111.9S138 Q139S138-V141 PolarHBondContact O-N 3.12Å; Q139-V141 VanDerWaalsContact C-N 3.28Å; Q139-V141 PolarHBondContact O-N 3.49Å
142M62.3Low54.8Low148 Ų148126.9 Ų126.973%0.72977%0.77SS**SBendtrans-97.2-1.4-177-75.7-173.617100114.6P137 Q139P137-M142 HydrophobicContact CG-CE 4.38Å; Q139-M142 PolarHBondContact O-N 2.91Å
143T66.8Low53.7Low96 Ų96119.9 Ų119.959%0.58977%0.767SS**SBendtrans-91.8119.7177.6260000112.1Q139 Q140 Q145Q139-T143 PolarHBondContact O-OG1 3.19Å; Q140-T143 PolarHBondContact O-OG1 3.12Å; T143-Q145 PolarHBondContact O-N 2.86Å
144P59.5Low52.3Low127 Ų127121.3 Ų121.383%0.82577%0.771SS**  trans-66.7118.1172.325.6-31.1000110.1G146P144-G146 PolarHBondContact O-N 3.12Å; P144-G146 VanDerWaalsContact O-N 3.14Å
145Q59.4Low50.9Low195 Ų195120.2 Ų120.291%0.91178%0.776SS**  trans-76.3100.2-177-154.5163-7.500109.5T143 R147T143-Q145 PolarHBondContact O-N 2.86Å; Q145-R147 PolarHBondContact O-N 3.32Å
146G53Low49.3Very low78 Ų78120.4 Ų120.480%0.80478%0.778SS**  trans-62.6111.9173.900000110.8P144 G148P144-G146 PolarHBondContact O-N 3.12Å; P144-G146 VanDerWaalsContact O-N 3.14Å; G146-G148 PolarHBondContact O-N 3.26Å
147R44.7Very low47.4Very low260 Ų260121.7 Ų121.798%0.98178%0.782SS**  trans-88100.2173.9-155.9177.6-171.9170.41.9108Q145Q145-R147 PolarHBondContact O-N 3.32Å
148G40.1Very low46Very low59 Ų59122.4 Ų122.461%0.60879%0.79SS**  trans-164.284.9179.900000112.7G146G146-G148 PolarHBondContact O-N 3.26Å
149T40.4Very low44.9Very low145 Ų145127.1 Ų127.189%0.8981%0.808SS**  trans53.5135145.247.10000121.6
150V33.1Very low43.4Very low147 Ų147122.9 Ų122.989%0.89180%0.803SS**  trans-68.4159.9-174.7-70.90000115.3
151A34.4Very low42Very low93 Ų93119.7 Ų119.777%0.76981%0.805SS**  trans-55.9146.8-171.500000118.6
152A34.2Very low40.5Very low101 Ų101119.1 Ų119.184%0.83581%0.812SS**  42.212512900000121.3
153A32.6Very low39Very low107 Ų107118.2 Ų118.288%0.88481%0.81SS**  trans-155.3127.313400000110.4
154A33.9Very low37.4Very low103 Ų103123.2 Ų123.285%0.85182%0.818SS**  trans-107.1127.6167.800000108.5
155A32.7Very low36.2Very low110 Ų110121.8 Ų121.891%0.90981%0.811SS**  trans169.8141.4152.600000110.2
156G30.8Very low35Very low86 Ų86120.5 Ų120.589%0.88781%0.809SS**  trans133.5128.115900000114.8
157A31.4Very low34.3Very low90 Ų90121.1 Ų121.174%0.74481%0.807SS**  trans-106.1161.9-160.600000114.9
158S32.1Very low34.6Very low106 Ų106114.5 Ų114.574%0.74180%0.798SS**  trans73149.6142.1-57.80000121.8
159I33.9Very low34.5Very low167 Ų167118.6 Ų118.686%0.85680%0.801SS**  trans75148.4167.291.8-178.6000116.3
160A30.1Very low34.4Very low89 Ų89122.3 Ų122.374%0.73680%0.798SS**  cis-173151-23.800000106.9
161A31.3Very low34.6Very low99 Ų99120.6 Ų120.682%0.81878%0.784SS**  trans70.4134.5144.200000123.8
162A34Very low34.7Very low96 Ų96123.5 Ų123.579%0.79379%0.785SS**  trans70.5107.5142.200000119.3
163D30.1Very low34.5Very low128 Ų128128.2 Ų128.268%0.68479%0.788SS**  72.8106.483.7-168.430.2000113.6
164R33.8Very low34.4Very low202 Ų202127 Ų12776%0.76277%0.773SS**  143.2125.8108.4-153.4123.9152.7179.8-5.5113.7
165S34.8Very low34.4Very low96 Ų96127.7 Ų127.767%0.67177%0.77SS**  trans82.7136139720000122
166L34.6Very low34.6Very low168 Ų168128.2 Ų128.288%0.8877%0.767SS**  trans95.5103.3154-68.4145.8000117.9
167A36.8Very low35.3Very low91 Ų91130.7 Ų130.775%0.75277%0.765SS**  trans-68.7-169.1166.800000112.4
168P51.1Low36Very low122 Ų122132.1 Ų132.179%0.79277%0.766SS**  -117.7134.4-71.132.4-18000109.6
169H38.6Very low36.6Very low144 Ų144134 Ų13467%0.66777%0.774SS**  trans-153114.4169.6-146.6153.2000110.9L171H169-L171 VanDerWaalsContact C-N 3.28Å; H169-L171 PolarHBondContact O-N 3.39Å
170W39Very low36.8Very low223 Ų223129 Ų12985%0.84576%0.764SS**  trans-72.676.5172.140.4-86.8000109.9
171L36.8Very low37.6Very low112 Ų112134 Ų13459%0.58678%0.775SS**  trans-142.4138.7167.8-79.3177.6000111.8H169H169-L171 VanDerWaalsContact C-N 3.28Å; H169-L171 PolarHBondContact O-N 3.39Å
172L36.2Very low38.6Very low153 Ų153138.3 Ų138.380%0.80178%0.78SS**  trans92.9115.4158-57.5140.7000116.7
173F29.4Very low39.7Very low201 Ų201136.5 Ų136.588%0.88277%0.771SS**  -156.2110111-104-89000106.4
174S31.8Very low40.9Very low82 Ų82136.3 Ų136.357%0.57378%0.776SS**  85.110384.4-166.30000110.5
175C32.2Very low41.8Very low117 Ų117132.5 Ų132.579%0.79178%0.778SS**  77.4104.8103.2-61.60000113.4
176S37.5Very low42.7Very low120 Ų120134.4 Ų134.484%0.83979%0.788SS**  177101.3123.958.10000110.7
177T46.6Very low43.8Very low139 Ų139130 Ų13085%0.85378%0.783SS**  trans-115.6131.2160400000108.3
178P45.1Very low44.6Very low119 Ų119134.9 Ų134.977%0.77379%0.793SS**  trans-96.7112.1162.331-22.2000110.5
179T44.7Very low44.8Very low145 Ų145140.6 Ų140.689%0.8980%0.798SS**  48.2117.7126.3-28.50000120.4
180G39.4Very low45.7Very low64 Ų64139.2 Ų139.266%0.6680%0.802SS**  trans156.8112.6144.600000116.9
181M46.9Very low46.5Very low194 Ų194134.7 Ų134.796%0.95680%0.802SS**  trans8584.5157.6-47.9-176.3103.700116.9
182M51.3Low47.1Very low189 Ų189138.7 Ų138.793%0.93182%0.819SS**  96.1101.981.2-172.9162.7154.600112
183G56.6Low47.5Very low58 Ų58134.7 Ų134.760%0.59882%0.815SS**PPolyproline II helixtrans-76168.1175.400000113.4
184P56.5Low48.5Very low123 Ų123131.2 Ų131.280%0.79981%0.813SS**PPolyproline II helixtrans-73.1149.2-173.529.9-33.3000112.2
185P51.9Low49.5Very low122 Ų122133 Ų13379%0.79282%0.822SS**PPolyproline II helixtrans-73.8142.6-173.128.3-33.4000112.7
186P53.4Low50.3Low136 Ų136136.3 Ų136.388%0.88383%0.829SS**SBendtrans-82.9125.4174.20.517.7000110.5
187G58.4Low50.7Low75 Ų75133.6 Ų133.677%0.77382%0.82SS**  trans166.32.217300000120.9
188M52.5Low50.7Low195 Ų195135.1 Ų135.196%0.96182%0.819SS**  trans-110.8104.7179.7-78.3179.5154.400112.1
189R56.3Low51.1Low241 Ų241134.3 Ų134.391%0.90981%0.814SS**PPolyproline II helixtrans-72133.6168.4-69.1169.2169.5-109.90.5109.6
190P56.7Low51.3Low115 Ų115133.8 Ų133.875%0.74781%0.813SS**PPolyproline II helixtrans-74.1149.5163.1-1026.2000110.5
191P55.8Low51.7Low129 Ų129133.4 Ų133.484%0.83881%0.809SS**PPolyproline II helixtrans-73.6132.6178.329.7-31.6000111.7
192M50.7Low52Low195 Ų195130.7 Ų130.796%0.96181%0.805SS**PPolyproline II helixtrans-71149.8154.2-81.5-157.6-87.200108.9
193G43.8Very low51.4Low69 Ų69125.3 Ų125.371%0.71180%0.799SS**  cis-171.4-143.67.300000106.3
194P50.8Low50.7Low128 Ų128134.6 Ų134.683%0.83182%0.816SS**  cis-133.3-160.5-19.842.2-23.2000111.6
195P51.7Low49.8Very low119 Ų119132.2 Ų132.277%0.77381%0.813SS**  cis-117.6169.6-44.931.5-13000113.4
196M50.4Low49.6Very low188 Ų188130.9 Ų130.993%0.92681%0.813SS**  trans-23.2137.4153.4-165.2167.6-74.500117.7
197G44.3Very low49.2Very low63 Ų63130.2 Ų130.265%0.64981%0.809SS**  trans114.198.6139.400000117.5
198M47.1Very low48.8Very low171 Ų171136.4 Ų136.484%0.84282%0.82SS**  -172.7128.1129.4-155.263.772.400110.4
199P54.9Low49Very low102 Ų102130 Ų13066%0.66280%0.804SS**  trans-74.5144164.232-30.5000108.8G201P199-G201 VanDerWaalsContact C-N 3.3Å; P199-G201 PolarHBondContact O-N 3.41Å
200P47.2Very low48.7Very low134 Ų134127 Ų12787%0.8780%0.802SS**  trans-72.995.8164.129-26.9000107.4
201G48.3Very low48.8Very low55 Ų55126.7 Ų126.757%0.56780%0.801SS**  trans-63.1162.1162.100000111.3P199 G203P199-G201 VanDerWaalsContact C-N 3.3Å; P199-G201 PolarHBondContact O-N 3.41Å; G201-G203 PolarHBondContact O-N 2.9Å
202P54.3Low48.9Very low137 Ų137125.9 Ų125.989%0.8980%0.795SS**  trans-77.297.7-160.931.5-33.6000111.8R204P202-R204 PolarHBondContact O-N 3.08Å
203G37.1Very low49.1Very low77 Ų77123 Ų12379%0.79479%0.791SS**  trans-84.598.6170.400000111.2G201G201-G203 PolarHBondContact O-N 2.9Å
204R43.3Very low49.8Very low252 Ų252123.4 Ų123.495%0.95180%0.795SS**  trans-24.6135.1156.5-71.3169153.3-153.8-4.6113.4P202P202-R204 PolarHBondContact O-N 3.08Å
205G38Very low50.1Low73 Ų73125.9 Ų125.975%0.75380%0.798SS**  trans163.371.515800000118.5
206A47Very low50.4Low95 Ų95131.1 Ų131.179%0.78580%0.802SS**  trans75.6126.8147.700000120.4
207P44.6Very low50.8Low121 Ų121127.2 Ų127.279%0.78679%0.791SS**  trans-71.4130.2164.930.1-30.9000110G209P207-G209 PolarHBondContact O-N 3.48Å
208M49.5Very low51.7Low206 Ų206129.5 Ų129.5100%1.01579%0.794SS**SBendtrans-71.485.5168.6-163.2-171.5-64.100108.2
209G57.2Low52.2Low61 Ų61126 Ų12663%0.62978%0.784SS**  trans-163.559.3-175.700000110.9P207P207-G209 PolarHBondContact O-N 3.48Å
210M50.3Low52.2Low176 Ų176127.9 Ų127.987%0.86780%0.796SS**  trans-155.1123.4164.5-135.71488100110.3
211P58.5Low52.8Low110 Ų110125.1 Ų125.171%0.71479%0.792SS**  trans-71.3153.9171.229.9-31.7000110.2
212P57.7Low53.2Low111 Ų111131.1 Ų131.172%0.72181%0.808SS**  trans-58.7135.5-179.622.2-31.6000111.1G214P212-G214 PolarHBondContact O-N 3.23Å
213P54.4Low53.5Low136 Ų136136.4 Ų136.488%0.88381%0.81SS**THydrogen-bonded Turntrans-68.5114.9176.6-12.426.8000109.4
214G58.3Low54.7Low77 Ų77135.3 Ų135.379%0.79480%0.799SS**THydrogen-bonded Turntrans150.1-10.2171.800000116.9P212P212-G214 PolarHBondContact O-N 3.23Å
215M58.3Low55.8Low180 Ų180129.2 Ų129.289%0.88779%0.792SS**  trans-125.585.4178.3-72.5-179.4166.100110.8
216R58.1Low56.9Low228 Ų228130.6 Ų130.686%0.8679%0.787SS**PPolyproline II helixtrans-69.4127.7167-162.6174.3-169.5-121.13.7107.8
217P57.9Low57.6Low107 Ų107130.5 Ų130.570%0.69578%0.779SS**PPolyproline II helixtrans-63.3138.7172.224.6-30.5000109.3
218P62.9Low58.4Low110 Ų110131.5 Ų131.571%0.71479%0.786SS**PPolyproline II helixtrans-65143.7178.326.5-32.6000110
219P59.2Low58.9Low98 Ų98125.7 Ų125.764%0.63678%0.778SS**PPolyproline II helixtrans-61147.4177.824.2-31.7000110.9G221P219-G221 PolarHBondContact O-N 3.31Å; P219-G221 VanDerWaalsContact O-N 3.16Å
220P53.8Low59.3Low141 Ų141130.2 Ų130.292%0.91679%0.785SS**THydrogen-bonded Turntrans-62.4118.8179-17.129.9000110
221G59.3Low60.2Low76 Ų76133.2 Ų133.278%0.78479%0.786SS**THydrogen-bonded Turntrans141.2-8.4171.400000117.2P219P219-G221 PolarHBondContact O-N 3.31Å; P219-G221 VanDerWaalsContact O-N 3.16Å
222M58.3Low60.8Low182 Ų182133.2 Ų133.290%0.89779%0.786SS**  trans-117.292.1177.1-73-156.3156.200112G224M222-G224 PolarHBondContact O-N 2.78Å
223R60.1Low61.5Low248 Ų248133.1 Ų133.194%0.93679%0.786SS**  trans-70.5113.9166.9-161.2175.8-171.1-149.32107.2
224G61.9Low61.9Low54 Ų54132.7 Ų132.756%0.55778%0.783SS**PPolyproline II helixtrans-56.7156.6175.700000112M222M222-G224 PolarHBondContact O-N 2.78Å
225P65.9Low62.2Low123 Ų123140.3 Ų140.380%0.79979%0.788SS**PPolyproline II helixtrans-59.5142.5-179.525-32.7000110.3
226P62.1Low62.3Low102 Ų102141.2 Ų141.266%0.66281%0.807SS**PPolyproline II helixtrans-62.3145.9178.826.4-33.1000110.2
227P61.9Low62.5Low94 Ų94136.9 Ų136.961%0.6180%0.804SS**PPolyproline II helixtrans-59.1146.8178.323.3-31.9000111.1G229P227-G229 PolarHBondContact O-N 3.36Å
228P59.9Low62.8Low142 Ų142138.5 Ų138.592%0.92281%0.81SS**THydrogen-bonded Turntrans-60.4124-178-18.430.2000110.6
229G60.9Low62.8Low83 Ų83140.1 Ų140.186%0.85682%0.815SS**THydrogen-bonded Turntrans124.2-7.517200000116.4P227P227-G229 PolarHBondContact O-N 3.36Å
230M66.5Low63Low156 Ų156142.5 Ų142.577%0.76883%0.826SS**  trans-102.897.9175.7-74.2-173.3156.500111.4
231R67.7Low63.6Low240 Ų240142.6 Ų142.691%0.90682%0.82SS**PPolyproline II helixtrans-68.5132165.8-92.8-178.8169.4-125.40.5109.4
232P71.1Confident63.8Low110 Ų110147.1 Ų147.171%0.71482%0.823SS**PPolyproline II helixtrans-68.6147.9173.627.2-31.8000110.9
233P72.3Confident64.2Low109 Ų109144.6 Ų144.671%0.70882%0.818SS**PPolyproline II helixtrans-67.3149.6175.928.2-33.9000111.2R235P233-R235 PolarHBondContact O-N 3.45Å
234P63.3Low64.5Low126 Ų126136.6 Ų136.682%0.81881%0.809SS**PPolyproline II helixtrans-63.9133.6173.226.9-31.5000109.6
235R64.8Low64.8Low238 Ų238143.5 Ų143.590%0.89883%0.829SS**PPolyproline II helixtrans-80.2142177.7-62.7178.9-171.3-118.13.1109.5P233P233-R235 PolarHBondContact O-N 3.45Å
236P60.7Low64.7Low199 Ų199145.4 Ų145.4100%1.29283%0.832SS**  trans-71.50165.931.4-33.1000112

Retrieved 236 of 236 residues in 157.4 ms (Link to these results)