A0A096NV72_PAPAN Loading...

Small nuclear ribonucleoprotein-associated protein

AlphaFold DB (P14678), UniProt , Accession A0A096NV72, Species PAPAN (Papio anubis, Olive baboon), Gene SNRPB, Length 240 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
1M44.4Very low71.8Confident233 Ų233109.5 Ų109.5100%1.14859%0.593SS**  0131.40-65.3179.6-16900108.1V3M1-V3 WeakPolarHBondContact O-CG2 3.34Å; M1-V3 PolarHBondContact O-N 3.24Å
2T49.7Very low73.6Confident109 Ų109105.3 Ų105.367%0.66957%0.567SS**  trans-73.485.9-177.643.20000110.5G4 K5T2-G4 PolarHBondContact O-N 3.16Å; T2-K5 PolarHBondContact O-N 3.33Å
3V57.7Low75.3Confident124 Ų124100.2 Ų100.275%0.75254%0.539SS*.Hα-helixtrans-55.8-21.2-170.6-176.20000114M1M1-V3 WeakPolarHBondContact O-CG2 3.34Å; M1-V3 PolarHBondContact O-N 3.24Å
4G60.8Low76.7Confident55 Ų5596.4 Ų96.457%0.56752%0.518SS*.Hα-helixtrans-84-25-178.900000116.8T2 S7T2-G4 PolarHBondContact O-N 3.16Å; G4-S7 PolarHBondContact O-OG 2.87Å
5K61.6Low78.1Confident166 Ų16695.9 Ų95.972%0.72251%0.507SS*.Hα-helixtrans-90.4-35.7-176.9-66.4-176.3-177.5-176.40112.1T2 S7T2-K5 PolarHBondContact O-N 3.33Å; K5-S7 PolarHBondContact O-N 3.35Å
6S69.4Low79.3Confident48 Ų4895.3 Ų95.334%0.33650%0.495SS..Hα-helixtrans-65.5-37.5-179-170.40000112.5K8 M9 L10S6-K8 VanDerWaalsContact C-N 3.34Å; S6-K8 PolarHBondContact O-N 3.03Å; S6-M9 PolarHBondContact O-N 3.1Å; S6-M9 VanDerWaalsContact O-N 3.14Å; S6-L10 WeakPolarHBondContact O-CG 3.08Å; S6-L10 PolarHBondContact O-N 3.17Å
7S80.4Confident80.4Confident52 Ų5289.8 Ų89.836%0.36447%0.467SS..Hα-helixtrans-60-39.5-176.659.50000113.4G4 K5 M9 L10 Q11G4-S7 PolarHBondContact O-OG 2.87Å; K5-S7 PolarHBondContact O-N 3.35Å; S7-M9 PolarHBondContact O-N 3.2Å; S7-L10 PolarHBondContact O-N 3.34Å; S7-Q11 WeakPolarHBondContact O-CG 3.48Å; S7-Q11 PolarHBondContact O-N 3.43Å
8K88.4Confident81.3Confident146 Ų14689.1 Ų89.164%0.63546%0.457SS*.Hα-helixtrans-63.6-41.1177.4-67.5-172179.4-174.90111.8S6 H12S6-K8 VanDerWaalsContact C-N 3.34Å; S6-K8 PolarHBondContact O-N 3.03Å; K8-H12 PolarHBondContact O-CE1 2.96Å; K8-H12 PolarHBondContact O-ND1 3.02Å
9M91.3Very high82.2Confident35 Ų3584.4 Ų84.417%0.17243%0.433CS..Hα-helixtrans-71.6-38.2179.7-69.7-54.7-59.100112S6 S7 Q11 H12 F31 F34 M38 M80S6-M9 PolarHBondContact O-N 3.1Å; S6-M9 VanDerWaalsContact O-N 3.14Å; S7-M9 PolarHBondContact O-N 3.2Å; M9-Q11 PolarHBondContact O-N 3.08Å; M9-H12 PolarHBondContact O-N 3.04Å; M9-F31 HydrophobicContact CE-CE1 3.73Å; M9-F31 HydrophobicContact CE-CE2 4.5Å; M9-F31 HydrophobicContact CE-CZ 3.52Å; M9-F34 HydrophobicContact CB-CD1 4.06Å; M9-F34 HydrophobicContact CB-CD2 4.15Å; M9-F34 HydrophobicContact CB-CE1 3.77Å; M9-F34 HydrophobicContact CB-CE2 3.86Å; M9-F34 HydrophobicContact CB-CG 4.25Å; M9-F34 HydrophobicContact CB-CZ 3.67Å; M9-F34 HydrophobicContact CG-CD2 4.43Å; M9-F34 HydrophobicContact CG-CE2 4.36Å; M9-M38 HydrophobicContact CE-CE 3.74Å; M9-M38 HydrophobicContact SD-CE 3.94Å; M9-M80 HydrophobicContact CE-CE 4.07Å; M9-M80 HydrophobicContact CE-SD 3.87Å
10L92.4Very high82.9Confident102 Ų10283.1 Ų83.153%0.53443%0.426SS..Hα-helixtrans-58.6-32.9177-73.1168000112.8S6 S7 H12 I13 F34S6-L10 WeakPolarHBondContact O-CG 3.08Å; S6-L10 PolarHBondContact O-N 3.17Å; S7-L10 PolarHBondContact O-N 3.34Å; L10-H12 PolarHBondContact O-N 3.39Å; L10-I13 HydrophobicContact CD2-CG1 4.5Å; L10-I13 WeakPolarHBondContact O-CB 3.42Å; L10-I13 WeakPolarHBondContact O-CG1 3.46Å; L10-I13 PolarHBondContact O-N 2.94Å; L10-F34 HydrophobicContact CD2-CE1 3.93Å; L10-F34 HydrophobicContact CD2-CZ 4.35Å; L10-F34 HydrophobicContact CG-CE1 4.13Å; L10-F34 HydrophobicContact CG-CZ 4.21Å
11Q93.1Very high83.6Confident135 Ų13579.9 Ų79.963%0.63141%0.41SS*.THydrogen-bonded Turntrans-65.1-20.5177.3-70168.43.400114S7 M9S7-Q11 WeakPolarHBondContact O-CG 3.48Å; S7-Q11 PolarHBondContact O-N 3.43Å; M9-Q11 PolarHBondContact O-N 3.08Å
12H94.3Very high86.1Confident59 Ų5975.1 Ų75.127%0.27339%0.385SS..THydrogen-bonded Turntrans-98.8-4.4-177.3-62.277.8000112.3K8 M9 L10 Y15 M17 F31 V82K8-H12 PolarHBondContact O-CE1 2.96Å; K8-H12 PolarHBondContact O-ND1 3.02Å; M9-H12 PolarHBondContact O-N 3.04Å; L10-H12 PolarHBondContact O-N 3.39Å; H12-Y15 WeakPolarHBondContact O-CB 3.49Å; H12-Y15 PolarHBondContact O-N 3.21Å; H12-Y15 VanDerWaalsContact O-N 3.13Å; H12-M17 HydrophobicContact CB-CE 4.35Å; H12-M17 HydrophobicContact CB-SD 4.08Å; H12-F31 HydrophobicContact CB-CD1 4.1Å; H12-F31 HydrophobicContact CB-CE1 4.23Å; H12-F31 WeakPolarHBondContact O-CD1 3.31Å; H12-V82 VanDerWaalsContact CD2-CG2 3.48Å; H12-V82 WeakPolarHBondContact CD2-CG2 3.48Å
13I95.1Very high88.2Confident39 Ų3974.4 Ų74.420%0.238%0.377CS..THydrogen-bonded Turntrans-58.7140.6177.1-64.1-70.9000109.6L10 Y15 F31 F34L10-I13 HydrophobicContact CD2-CG1 4.5Å; L10-I13 WeakPolarHBondContact O-CB 3.42Å; L10-I13 WeakPolarHBondContact O-CG1 3.46Å; L10-I13 PolarHBondContact O-N 2.94Å; I13-Y15 WeakPolarHBondContact O-CD2 3.49Å; I13-Y15 PolarHBondContact O-N 3.11Å; I13-Y15 VanDerWaalsContact O-N 3.15Å; I13-F31 HydrophobicContact CD1-CD1 4.04Å; I13-F31 HydrophobicContact CD1-CE1 3.65Å; I13-F31 HydrophobicContact CD1-CZ 3.95Å; I13-F31 HydrophobicContact CG1-CE1 4.32Å; I13-F34 HydrophobicContact CD1-CD1 4.1Å; I13-F34 HydrophobicContact CD1-CE1 4.44Å
14D95.5Very high89.8Confident47 Ų4770.4 Ų70.425%0.25136%0.36SS..THydrogen-bonded Turntrans67.8-7.9-173.8-58.9-52.5000116.1T30 F31 K32 P86 P87 T90D14-T30 WeakPolarHBondContact O-CG2 3.47Å; D14-F31 WeakPolarHBondContact CA-O 3.43Å; D14-F31 PolarHBondContact N-O 3.03Å; D14-K32 WeakPolarHBondContact OD1-CD 3.35Å; D14-K32 IonicContact OD1-NZ 3.22Å; D14-K32 PolarHBondContact OD1-NZ 2.75Å; D14-P86 HydrophobicContact CB-CB 4.02Å; D14-P86 HydrophobicContact CB-CG 4.34Å; D14-P86 WeakPolarHBondContact O-CA 3.46Å; D14-P86 WeakPolarHBondContact O-CB 3.37Å; D14-P87 WeakPolarHBondContact O-CD 3.41Å; D14-T90 HydrophobicContact CB-CG2 3.71Å; D14-T90 VanDerWaalsContact OD1-CG2 3.32Å; D14-T90 WeakPolarHBondContact OD1-CG2 3.25Å
15Y97.1Very high91.5Very high89 Ų8971.1 Ų71.135%0.34935%0.346SS..SBendtrans-70.2154.1172-76.6-108.7000111.3H12 I13 M17 F31 V82 P86H12-Y15 WeakPolarHBondContact O-CB 3.49Å; H12-Y15 PolarHBondContact O-N 3.21Å; H12-Y15 VanDerWaalsContact O-N 3.13Å; I13-Y15 WeakPolarHBondContact O-CD2 3.49Å; I13-Y15 PolarHBondContact O-N 3.11Å; I13-Y15 VanDerWaalsContact O-N 3.15Å; Y15-M17 PolarHBondContact O-N 3.44Å; Y15-F31 PolarHBondContact O-N 2.9Å; Y15-V82 HydrophobicContact CD1-CG1 3.71Å; Y15-V82 HydrophobicContact CE1-CG1 4.42Å; Y15-P86 HydrophobicContact CD1-CG 4.33Å; Y15-P86 HydrophobicContact CD2-CG 3.64Å; Y15-P86 HydrophobicContact CE1-CG 4.4Å; Y15-P86 HydrophobicContact CE2-CG 3.69Å; Y15-P86 HydrophobicContact CG-CG 3.98Å
16R97.1Very high93.2Very high85 Ų8563.8 Ų63.832%0.32132%0.315SS..EExtended strand (participates in β ladder)trans-78.6114.7167.8-162.4161.9-178.8-140.111.3108.3I28 E83 G84R16-I28 HydrophobicContact CG-CG2 4.02Å; R16-E83 WeakPolarHBondContact CD-OE2 3.41Å; R16-E83 VanDerWaalsContact CG-OE2 3.26Å; R16-E83 WeakPolarHBondContact CG-OE2 3.37Å; R16-E83 IonicContact CZ-OE2 3.83Å; R16-E83 IonicContact NE-OE2 2.63Å; R16-E83 IonicContact NH1-OE1 3.19Å; R16-E83 IonicContact NH1-OE2 3.04Å; R16-E83 PolarHBondContact NH1-OE2 2.63Å; R16-E83 WeakPolarHBondContact O-CA 3.38Å; R16-E83 WeakPolarHBondContact O-CB 3.19Å; R16-E83 PolarHBondContact O-N 3.1Å; R16-G84 PolarHBondContact N-O 3.35Å; R16-G84 PolarHBondContact O-N 2.88Å; R16-G84 VanDerWaalsContact O-N 3.13Å
17M97.7Very high94.5Very high3 Ų362.3 Ų62.32%0.01530%0.302CS..EExtended strand (participates in β ladder)trans-109.4138.6-172.9-65.7-58.8-65.900110.4H12 Y15 I28 G29 F31 M80 T81 V82H12-M17 HydrophobicContact CB-CE 4.35Å; H12-M17 HydrophobicContact CB-SD 4.08Å; Y15-M17 PolarHBondContact O-N 3.44Å; M17-I28 WeakPolarHBondContact O-CA 2.99Å; M17-G29 PolarHBondContact N-O 3.16Å; M17-G29 PolarHBondContact O-N 3.28Å; M17-G29 VanDerWaalsContact O-N 3.1Å; M17-F31 HydrophobicContact CB-CB 4.04Å; M17-F31 HydrophobicContact CG-CB 3.38Å; M17-F31 HydrophobicContact CG-CD1 4.17Å; M17-F31 HydrophobicContact CG-CG 4.05Å; M17-M80 HydrophobicContact CB-CE 4.3Å; M17-M80 HydrophobicContact CE-CB 3.86Å; M17-M80 HydrophobicContact CE-CE 3.95Å; M17-M80 HydrophobicContact CG-CE 4.26Å; M17-T81 WeakPolarHBondContact CA-O 3.2Å; M17-T81 WeakPolarHBondContact CE-O 3.45Å; M17-V82 HydrophobicContact CE-CG2 4.37Å; M17-V82 HydrophobicContact SD-CB 4.42Å; M17-V82 HydrophobicContact SD-CG2 3.88Å
18R97.8Very high95.4Very high77 Ų7760.1 Ų60.129%0.29129%0.286SS..EExtended strand (participates in β ladder)trans-95.6117.7166.2177.5-174.8-64.5-94.5-3.2108.7I26 F27 I28 M80 T81 E83R18-I26 HydrophobicContact CG-CG2 3.49Å; R18-I26 VanDerWaalsContact CG-CG2 3.49Å; R18-F27 CarbonylContact C-O 3.53Å; R18-F27 WeakPolarHBondContact CA-O 3.21Å; R18-I28 HydrophobicContact CB-CG1 4.33Å; R18-I28 HydrophobicContact CG-CG1 4.29Å; R18-M80 CarbonylContact O-C 3.56Å; R18-M80 VanDerWaalsContact O-CA 3.28Å; R18-M80 WeakPolarHBondContact O-CA 3.14Å; R18-T81 PolarHBondContact N-O 3.44Å; R18-T81 PolarHBondContact O-N 2.82Å; R18-E83 HydrophobicContact CB-CB 4.32Å
19C97.5Very high95.8Very high0 Ų053.2 Ų53.20%026%0.256CS..EExtended strand (participates in β ladder)trans-110.1125.7179-59.50000109.4I26 F27 L72 L77 S79C19-I26 CarbonylContact O-C 3.48Å; C19-I26 WeakPolarHBondContact O-CA 3.44Å; C19-F27 HydrophobicContact CB-CB 4.25Å; C19-F27 PolarHBondContact N-O 3.13Å; C19-F27 PolarHBondContact O-N 3.28Å; C19-L72 HydrophobicContact CB-CD2 4.32Å; C19-L77 HydrophobicContact CB-CD1 3.8Å; C19-S79 WeakPolarHBondContact CA-O 3.41Å
20I97.5Very high96.1Very high58 Ų5852 Ų5230%0.29725%0.251SS..EExtended strand (participates in β ladder)trans-99.9127.4176.5-56.2-178.5000108.5V78 S79I20-V78 WeakPolarHBondContact O-CB 3.39Å; I20-V78 PolarHBondContact O-N 3.19Å; I20-S79 PolarHBondContact N-O 3.15Å
21L97Very high96.3Very high16 Ų1647.1 Ų47.18%0.08423%0.225CC..EExtended strand (participates in β ladder)trans-93.4160.9178.6-84.863000111.6D23 G24 R25 F27 L72 N76L21-D23 PolarHBondContact O-N 3.26Å; L21-G24 PolarHBondContact O-N 2.99Å; L21-R25 HydrophobicContact CB-CB 4.33Å; L21-R25 HydrophobicContact CD2-CB 4.46Å; L21-R25 PolarHBondContact N-O 3.42Å; L21-F27 HydrophobicContact CD1-CB 4.45Å; L21-F27 HydrophobicContact CD1-CD1 4.04Å; L21-F27 HydrophobicContact CD1-CG 4.16Å; L21-F27 HydrophobicContact CD2-CD1 4.31Å; L21-F27 HydrophobicContact CD2-CE1 3.95Å; L21-F27 HydrophobicContact CD2-CZ 4.17Å; L21-L72 HydrophobicContact CD1-CD1 4.04Å; L21-L72 HydrophobicContact CD1-CD2 3.85Å; L21-L72 HydrophobicContact CD2-CD1 3.91Å; L21-L72 HydrophobicContact CG-CD1 4.09Å; L21-N76 CarbonylContact C-O 3.46Å; L21-N76 WeakPolarHBondContact CA-O 3.35Å
22Q96.5Very high96.5Very high133 Ų13343.9 Ų43.962%0.62121%0.209SC*.THydrogen-bonded Turntrans-58-32178.9-74.5-176-13.900113.7G24 E75 N76 V78Q22-G24 PolarHBondContact O-N 3.16Å; Q22-E75 VanDerWaalsContact CD-O 3.29Å; Q22-E75 PolarHBondContact NE2-O 3.37Å; Q22-N76 PolarHBondContact N-O 3.12Å; Q22-V78 HydrophobicContact CB-CG2 4.28Å; Q22-V78 HydrophobicContact CG-CG2 3.73Å
23D93.5Very high96.5Very high94 Ų9443.1 Ų43.150%0.50321%0.213SC..THydrogen-bonded Turntrans-86.28.1178.872.5-13.5000113.6L21 R25L21-D23 PolarHBondContact O-N 3.26Å; D23-R25 WeakPolarHBondContact OD1-CB 3.16Å; D23-R25 WeakPolarHBondContact OD1-CD 3.26Å; D23-R25 VanDerWaalsContact OD1-CG 3.26Å; D23-R25 WeakPolarHBondContact OD1-CG 3.12Å; D23-R25 PolarHBondContact OD1-N 2.7Å; D23-R25 IonicContact OD1-NE 3.77Å; D23-R25 VanDerWaalsContact OD2-CD 3.3Å; D23-R25 WeakPolarHBondContact OD2-CD 3.43Å; D23-R25 IonicContact OD2-CZ 3.62Å; D23-R25 IonicContact OD2-NE 2.76Å; D23-R25 PolarHBondContact OD2-NE 2.83Å; D23-R25 IonicContact OD2-NH2 3.51Å; D23-R25 PolarHBondContact OD2-NH2 3.31Å
24G92.6Very high96.6Very high39 Ų3944 Ų4440%0.40222%0.215SC..SBendtrans84.33.6176.500000114.9L21 Q22L21-G24 PolarHBondContact O-N 2.99Å; Q22-G24 PolarHBondContact O-N 3.16Å
25R95.3Very high96.5Very high70 Ų7045.1 Ų45.126%0.26422%0.221SC..  trans-70.4153.4170.4-63.3171.5-165.4-166.935.5110.9L21 D23 F27 E47 R49L21-R25 HydrophobicContact CB-CB 4.33Å; L21-R25 HydrophobicContact CD2-CB 4.46Å; L21-R25 PolarHBondContact N-O 3.42Å; D23-R25 WeakPolarHBondContact OD1-CB 3.16Å; D23-R25 WeakPolarHBondContact OD1-CD 3.26Å; D23-R25 VanDerWaalsContact OD1-CG 3.26Å; D23-R25 WeakPolarHBondContact OD1-CG 3.12Å; D23-R25 PolarHBondContact OD1-N 2.7Å; D23-R25 IonicContact OD1-NE 3.77Å; D23-R25 VanDerWaalsContact OD2-CD 3.3Å; D23-R25 WeakPolarHBondContact OD2-CD 3.43Å; D23-R25 IonicContact OD2-CZ 3.62Å; D23-R25 IonicContact OD2-NE 2.76Å; D23-R25 PolarHBondContact OD2-NE 2.83Å; D23-R25 IonicContact OD2-NH2 3.51Å; D23-R25 PolarHBondContact OD2-NH2 3.31Å; R25-F27 HydrophobicContact CB-CD1 4.39Å; R25-F27 HydrophobicContact CB-CE1 4.15Å; R25-E47 WeakPolarHBondContact CD-OE1 3.39Å; R25-E47 IonicContact CZ-OE1 3.68Å; R25-E47 IonicContact NE-OE1 2.83Å; R25-E47 IonicContact NH1-OE1 2.66Å; R25-E47 PolarHBondContact NH1-OE1 2.82Å; R25-E47 IonicContact NH1-OE2 2.98Å; R25-R49 HydrophobicContact CG-CG 4.28Å; R25-R49 VanDerWaalsContact NE-NH2 3.16Å; R25-R49 VanDerWaalsContact NH2-NH2 3.15Å
26I97.3Very high96.3Very high13 Ų1349.2 Ų49.27%0.06724%0.241CC..EExtended strand (participates in β ladder)trans-122.6122.5177.2-55.7174.6000108.4R18 C19 I28 E47 F48R18-I26 HydrophobicContact CG-CG2 3.49Å; R18-I26 VanDerWaalsContact CG-CG2 3.49Å; C19-I26 CarbonylContact O-C 3.48Å; C19-I26 WeakPolarHBondContact O-CA 3.44Å; I26-I28 HydrophobicContact CG2-CG1 4.1Å; I26-E47 CarbonylContact O-C 3.56Å; I26-E47 WeakPolarHBondContact O-CA 3.32Å; I26-F48 HydrophobicContact CB-CB 4.21Å; I26-F48 PolarHBondContact N-O 3.46Å; I26-F48 PolarHBondContact O-N 3.08Å
27F98.1Very high96.2Very high17 Ų1750.5 Ų50.58%0.07525%0.25CS..EExtended strand (participates in β ladder)trans-104.1130.1176-79.835000107.8R18 C19 L21 R25 L42 D46 E47 L67 V70R18-F27 CarbonylContact C-O 3.53Å; R18-F27 WeakPolarHBondContact CA-O 3.21Å; C19-F27 HydrophobicContact CB-CB 4.25Å; C19-F27 PolarHBondContact N-O 3.13Å; C19-F27 PolarHBondContact O-N 3.28Å; L21-F27 HydrophobicContact CD1-CB 4.45Å; L21-F27 HydrophobicContact CD1-CD1 4.04Å; L21-F27 HydrophobicContact CD1-CG 4.16Å; L21-F27 HydrophobicContact CD2-CD1 4.31Å; L21-F27 HydrophobicContact CD2-CE1 3.95Å; L21-F27 HydrophobicContact CD2-CZ 4.17Å; R25-F27 HydrophobicContact CB-CD1 4.39Å; R25-F27 HydrophobicContact CB-CE1 4.15Å; F27-L42 HydrophobicContact CB-CD1 4.1Å; F27-D46 CarbonylContact C-O 3.54Å; F27-D46 WeakPolarHBondContact CA-O 3.48Å; F27-E47 HydrophobicContact CD1-CB 4.12Å; F27-E47 HydrophobicContact CD1-CG 4.11Å; F27-E47 HydrophobicContact CE1-CB 3.84Å; F27-E47 HydrophobicContact CE1-CG 3.61Å; F27-E47 HydrophobicContact CZ-CB 4.38Å; F27-E47 HydrophobicContact CZ-CG 4.4Å; F27-L67 HydrophobicContact CD2-CD1 4.05Å; F27-L67 HydrophobicContact CE1-CD1 4.41Å; F27-L67 HydrophobicContact CE2-CD1 3.49Å; F27-L67 VanDerWaalsContact CE2-CD1 3.49Å; F27-L67 HydrophobicContact CZ-CD1 3.69Å; F27-V70 HydrophobicContact CD2-CG1 4.16Å; F27-V70 HydrophobicContact CE2-CG1 3.95Å
28I97.8Very high96Very high6 Ų653.4 Ų53.43%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-122.7117.4176.1-55.6-177.8000108.1R16 M17 R18 I26 C45 D46 F48 E83R16-I28 HydrophobicContact CG-CG2 4.02Å; M17-I28 WeakPolarHBondContact O-CA 2.99Å; R18-I28 HydrophobicContact CB-CG1 4.33Å; R18-I28 HydrophobicContact CG-CG1 4.29Å; I26-I28 HydrophobicContact CG2-CG1 4.1Å; I28-C45 CarbonylContact O-C 3.56Å; I28-C45 VanDerWaalsContact O-CA 3.31Å; I28-C45 WeakPolarHBondContact O-CA 3.13Å; I28-D46 PolarHBondContact N-O 3.22Å; I28-D46 PolarHBondContact O-N 3.23Å; I28-F48 HydrophobicContact CB-CE2 4.14Å; I28-F48 HydrophobicContact CD1-CD2 3.9Å; I28-F48 HydrophobicContact CD1-CE2 3.6Å; I28-F48 HydrophobicContact CD1-CZ 4.31Å; I28-F48 HydrophobicContact CG1-CD2 4.04Å; I28-F48 HydrophobicContact CG1-CE2 3.92Å; I28-E83 HydrophobicContact CD1-CG 4.49Å; I28-E83 HydrophobicContact CG2-CB 4.34Å; I28-E83 HydrophobicContact CG2-CG 4.05Å
29G97.6Very high96Very high0 Ų051.7 Ų51.70%026%0.261CS..EExtended strand (participates in β ladder)trans-161.2171-178.800000112.4M17 F31 C43M17-G29 PolarHBondContact N-O 3.16Å; M17-G29 PolarHBondContact O-N 3.28Å; M17-G29 VanDerWaalsContact O-N 3.1Å; G29-F31 PolarHBondContact O-N 2.94Å; G29-C43 WeakPolarHBondContact CA-O 3.14Å
30T97.3Very high96Very high9 Ų951.7 Ų51.76%0.05526%0.261CS..EExtended strand (participates in β ladder)trans-77.5117.1177.5-53.90000109.4D14 K32 L42 C43 P87D14-T30 WeakPolarHBondContact O-CG2 3.47Å; T30-K32 HydrophobicContact CG2-CD 4.21Å; T30-K32 PolarHBondContact O-N 2.85Å; T30-L42 CarbonylContact O-C 3.57Å; T30-L42 WeakPolarHBondContact O-CA 3.33Å; T30-C43 PolarHBondContact N-O 2.86Å; T30-C43 PolarHBondContact O-N 2.77Å; T30-P87 HydrophobicContact CG2-CG 4.36Å
31F97.2Very high96Very high0 Ų051.3 Ų51.30%026%0.259CS..EExtended strand (participates in β ladder)trans-79.7111.4-175.7174.1-130.2000111.4M9 H12 I13 D14 Y15 M17 G29 A33 F34 L40 L42 M80M9-F31 HydrophobicContact CE-CE1 3.73Å; M9-F31 HydrophobicContact CE-CE2 4.5Å; M9-F31 HydrophobicContact CE-CZ 3.52Å; H12-F31 HydrophobicContact CB-CD1 4.1Å; H12-F31 HydrophobicContact CB-CE1 4.23Å; H12-F31 WeakPolarHBondContact O-CD1 3.31Å; I13-F31 HydrophobicContact CD1-CD1 4.04Å; I13-F31 HydrophobicContact CD1-CE1 3.65Å; I13-F31 HydrophobicContact CD1-CZ 3.95Å; I13-F31 HydrophobicContact CG1-CE1 4.32Å; D14-F31 WeakPolarHBondContact CA-O 3.43Å; D14-F31 PolarHBondContact N-O 3.03Å; Y15-F31 PolarHBondContact O-N 2.9Å; M17-F31 HydrophobicContact CB-CB 4.04Å; M17-F31 HydrophobicContact CG-CB 3.38Å; M17-F31 HydrophobicContact CG-CD1 4.17Å; M17-F31 HydrophobicContact CG-CG 4.05Å; G29-F31 PolarHBondContact O-N 2.94Å; F31-A33 WeakPolarHBondContact CE2-O 3.48Å; F31-F34 HydrophobicContact CE2-CB 3.94Å; F31-F34 HydrophobicContact CZ-CB 3.71Å; F31-F34 AromaticContact CZ-CD1 3.88Å; F31-F34 HydrophobicContact CZ-CD1 3.88Å; F31-F34 HydrophobicContact CZ-CG 4.12Å; F31-L40 HydrophobicContact CD2-CB 4.41Å; F31-L40 HydrophobicContact CE2-CB 4.23Å; F31-L40 HydrophobicContact CE2-CD2 3.7Å; F31-L40 HydrophobicContact CE2-CG 4.42Å; F31-L40 HydrophobicContact CZ-CD2 4.31Å; F31-L42 HydrophobicContact CB-CD2 4.16Å; F31-L42 HydrophobicContact CD2-CD2 4.39Å; F31-M80 HydrophobicContact CD1-CE 4.34Å; F31-M80 HydrophobicContact CD2-CE 4.19Å; F31-M80 HydrophobicContact CE1-CE 4.41Å; F31-M80 HydrophobicContact CE2-CE 4.24Å; F31-M80 HydrophobicContact CG-CE 4.24Å; F31-M80 HydrophobicContact CZ-CE 4.35Å
32K95.8Very high96Very high68 Ų6850.5 Ų50.530%0.29626%0.255SS..EExtended strand (participates in β ladder)trans-103.6-33.9-172.3-72.6-53.2-148.6179.10114.7D14 T30 I41 C43D14-K32 WeakPolarHBondContact OD1-CD 3.35Å; D14-K32 IonicContact OD1-NZ 3.22Å; D14-K32 PolarHBondContact OD1-NZ 2.75Å; T30-K32 HydrophobicContact CG2-CD 4.21Å; T30-K32 PolarHBondContact O-N 2.85Å; K32-I41 HydrophobicContact CB-CB 4.38Å; K32-I41 HydrophobicContact CB-CG2 4.17Å; K32-I41 PolarHBondContact N-O 2.82Å; K32-C43 HydrophobicContact CG-CB 4.27Å; K32-C43 VanDerWaalsContact CG-SG 3.52Å
33A95.9Very high96Very high42 Ų4245.7 Ų45.735%0.34724%0.236SC..EExtended strand (participates in β ladder)trans-155.9154.6-176.500000111.4F31 L40 I41F31-A33 WeakPolarHBondContact CE2-O 3.48Å; A33-L40 WeakPolarHBondContact O-CA 3.46Å; A33-I41 HydrophobicContact CB-CB 4.08Å; A33-I41 HydrophobicContact CB-CG1 3.88Å; A33-I41 PolarHBondContact O-N 2.93Å
34F95.8Very high96.1Very high58 Ų5846.1 Ų46.125%0.25424%0.238SC..EExtended strand (participates in β ladder)trans-136.4161.817067.9-73.3000111.9M9 L10 I13 F31 N39 L40M9-F34 HydrophobicContact CB-CD1 4.06Å; M9-F34 HydrophobicContact CB-CD2 4.15Å; M9-F34 HydrophobicContact CB-CE1 3.77Å; M9-F34 HydrophobicContact CB-CE2 3.86Å; M9-F34 HydrophobicContact CB-CG 4.25Å; M9-F34 HydrophobicContact CB-CZ 3.67Å; M9-F34 HydrophobicContact CG-CD2 4.43Å; M9-F34 HydrophobicContact CG-CE2 4.36Å; L10-F34 HydrophobicContact CD2-CE1 3.93Å; L10-F34 HydrophobicContact CD2-CZ 4.35Å; L10-F34 HydrophobicContact CG-CE1 4.13Å; L10-F34 HydrophobicContact CG-CZ 4.21Å; I13-F34 HydrophobicContact CD1-CD1 4.1Å; I13-F34 HydrophobicContact CD1-CE1 4.44Å; F31-F34 HydrophobicContact CE2-CB 3.94Å; F31-F34 HydrophobicContact CZ-CB 3.71Å; F31-F34 AromaticContact CZ-CD1 3.88Å; F31-F34 HydrophobicContact CZ-CD1 3.88Å; F31-F34 HydrophobicContact CZ-CG 4.12Å; F34-N39 VanDerWaalsContact CA-O 3.25Å; F34-N39 WeakPolarHBondContact CA-O 3.47Å; F34-L40 HydrophobicContact CB-CD2 4.15Å
35D94Very high96.3Very high70 Ų7044.2 Ų44.237%0.37422%0.219SC..  trans-119.6171.4174-177.226.5000111.3H37 M38 N39D35-H37 PolarHBondContact O-N 3.42Å; D35-H37 VanDerWaalsContact O-N 3.09Å; D35-H37 IonicContact OD2-CD2 3.67Å; D35-M38 PolarHBondContact O-N 3.37Å; D35-N39 HydrophobicContact CB-CB 4.17Å; D35-N39 PolarHBondContact N-O 2.95Å; D35-N39 VanDerWaalsContact N-O 3.13Å
36K93.3Very high96.4Very high176 Ų17641.5 Ų41.577%0.76521%0.209SC*.THydrogen-bonded Turntrans-53.2-26.9173.876.2-173.1-174.9-173.80113.5
37H94.2Very high96.4Very high111 Ų11141.4 Ų41.451%0.51421%0.209SC..THydrogen-bonded Turntrans-91.24.6178.5-65.5-63.7000114D35 N39 G74D35-H37 PolarHBondContact O-N 3.42Å; D35-H37 VanDerWaalsContact O-N 3.09Å; D35-H37 IonicContact OD2-CD2 3.67Å; H37-N39 PolarHBondContact O-N 2.82Å; H37-G74 WeakPolarHBondContact O-CA 3.28Å
38M94.6Very high96.4Very high64 Ų6442.5 Ų42.532%0.31521%0.214SC..  trans61.826.2-170.1-59.8-65.3-64.100113.5M9 D35 L40 G74 L77 M80M9-M38 HydrophobicContact CE-CE 3.74Å; M9-M38 HydrophobicContact SD-CE 3.94Å; D35-M38 PolarHBondContact O-N 3.37Å; M38-L40 HydrophobicContact CE-CD2 4.34Å; M38-L40 WeakPolarHBondContact O-CD2 3.47Å; M38-L40 WeakPolarHBondContact O-CG 3.31Å; M38-L40 PolarHBondContact O-N 2.92Å; M38-G74 VanDerWaalsContact C-CA 3.46Å; M38-G74 WeakPolarHBondContact O-CA 3.47Å; M38-L77 HydrophobicContact CB-CD2 4.27Å; M38-L77 HydrophobicContact CE-CD2 4.06Å; M38-M80 HydrophobicContact CE-SD 4.12Å
39N96.5Very high96.2Very high41 Ų4145.8 Ų45.822%0.21923%0.226CC..  trans-65.8127.8163.4-59.8-36.4000107.9F34 D35 H37 L72 R73 G74F34-N39 VanDerWaalsContact CA-O 3.25Å; F34-N39 WeakPolarHBondContact CA-O 3.47Å; D35-N39 HydrophobicContact CB-CB 4.17Å; D35-N39 PolarHBondContact N-O 2.95Å; D35-N39 VanDerWaalsContact N-O 3.13Å; H37-N39 PolarHBondContact O-N 2.82Å; N39-L72 CarbonylContact C-O 3.57Å; N39-L72 WeakPolarHBondContact CA-O 3.47Å; N39-R73 WeakPolarHBondContact OD1-CA 3.49Å; N39-G74 PolarHBondContact OD1-N 3.13Å
40L97.2Very high95.5Very high0 Ų051 Ų510%025%0.248CC..EExtended strand (participates in β ladder)trans-114143.7-174.3-46.3-178.7000110.7F31 A33 F34 M38 L71 L72 L77 M80F31-L40 HydrophobicContact CD2-CB 4.41Å; F31-L40 HydrophobicContact CE2-CB 4.23Å; F31-L40 HydrophobicContact CE2-CD2 3.7Å; F31-L40 HydrophobicContact CE2-CG 4.42Å; F31-L40 HydrophobicContact CZ-CD2 4.31Å; A33-L40 WeakPolarHBondContact O-CA 3.46Å; F34-L40 HydrophobicContact CB-CD2 4.15Å; M38-L40 HydrophobicContact CE-CD2 4.34Å; M38-L40 WeakPolarHBondContact O-CD2 3.47Å; M38-L40 WeakPolarHBondContact O-CG 3.31Å; M38-L40 PolarHBondContact O-N 2.92Å; L40-L71 CarbonylContact O-C 3.55Å; L40-L71 WeakPolarHBondContact O-CA 3.33Å; L40-L72 HydrophobicContact CB-CB 4.34Å; L40-L72 HydrophobicContact CD1-CD2 4.21Å; L40-L72 PolarHBondContact N-O 2.89Å; L40-L72 PolarHBondContact O-N 3.1Å; L40-L77 HydrophobicContact CD1-CD1 4.04Å; L40-L77 HydrophobicContact CD1-CD2 3.82Å; L40-L77 HydrophobicContact CD2-CD2 4.41Å; L40-L77 HydrophobicContact CG-CD2 4.26Å; L40-M80 HydrophobicContact CD1-CE 3.6Å; L40-M80 HydrophobicContact CD1-CG 4.27Å; L40-M80 HydrophobicContact CD1-SD 3.47Å; L40-M80 WeakPolarHBondContact CD1-SD 3.4Å; L40-M80 HydrophobicContact CD2-CE 4.32Å; L40-M80 HydrophobicContact CD2-SD 4.01Å; L40-M80 HydrophobicContact CG-SD 4.4Å
41I97.7Very high94.9Very high50 Ų5054 Ų5426%0.25626%0.263SS..EExtended strand (participates in β ladder)trans-102.7120.6165.1-55-58.9000108.6K32 A33 L69 V70 L71K32-I41 HydrophobicContact CB-CB 4.38Å; K32-I41 HydrophobicContact CB-CG2 4.17Å; K32-I41 PolarHBondContact N-O 2.82Å; A33-I41 HydrophobicContact CB-CB 4.08Å; A33-I41 HydrophobicContact CB-CG1 3.88Å; A33-I41 PolarHBondContact O-N 2.93Å; I41-L69 HydrophobicContact CG2-CD1 3.93Å; I41-V70 WeakPolarHBondContact CA-O 3.41Å; I41-L71 HydrophobicContact CD1-CB 3.82Å; I41-L71 HydrophobicContact CD1-CD1 3.79Å; I41-L71 HydrophobicContact CD1-CG 3.67Å
42L97.7Very high94Very high0 Ų063 Ų630%030%0.302CS..EExtended strand (participates in β ladder)trans-116.2120.9176.3-60.1177000109.6F27 T30 F31 C45 V70F27-L42 HydrophobicContact CB-CD1 4.1Å; T30-L42 CarbonylContact O-C 3.57Å; T30-L42 WeakPolarHBondContact O-CA 3.33Å; F31-L42 HydrophobicContact CB-CD2 4.16Å; F31-L42 HydrophobicContact CD2-CD2 4.39Å; L42-C45 HydrophobicContact CB-CB 4.05Å; L42-V70 HydrophobicContact CB-CB 4.43Å; L42-V70 PolarHBondContact N-O 2.97Å; L42-V70 PolarHBondContact O-N 2.91Å
43C96.4Very high93.1Very high31 Ų3162.1 Ų62.121%0.20930%0.303CS..EExtended strand (participates in β ladder)trans-91.6151.3170.6-68.70000111.1G29 T30 K32 C45G29-C43 WeakPolarHBondContact CA-O 3.14Å; T30-C43 PolarHBondContact N-O 2.86Å; T30-C43 PolarHBondContact O-N 2.77Å; K32-C43 HydrophobicContact CG-CB 4.27Å; K32-C43 VanDerWaalsContact CG-SG 3.52Å; C43-C45 PolarHBondContact O-N 2.88Å
44D95.9Very high92.4Very high103 Ų10370 Ų7055%0.55133%0.33SS*.EExtended strand (participates in β ladder)trans48.843.8179.6-57.2-33.9000112.5G68D44-G68 PolarHBondContact N-O 2.87Å
45C97.4Very high91.6Very high0 Ų072.3 Ų72.30%035%0.345CS..EExtended strand (participates in β ladder)trans-79.6134.3-172.6-168.40000111.8I28 L42 C43 L67 G68 V70I28-C45 CarbonylContact O-C 3.56Å; I28-C45 VanDerWaalsContact O-CA 3.31Å; I28-C45 WeakPolarHBondContact O-CA 3.13Å; L42-C45 HydrophobicContact CB-CB 4.05Å; C43-C45 PolarHBondContact O-N 2.88Å; C45-L67 HydrophobicContact CB-CB 4.47Å; C45-L67 WeakPolarHBondContact O-CA 3.33Å; C45-L67 WeakPolarHBondContact O-CB 3.17Å; C45-L67 PolarHBondContact O-N 2.75Å; C45-G68 VanDerWaalsContact CB-O 3.31Å; C45-G68 WeakPolarHBondContact CB-O 3.48Å; C45-G68 PolarHBondContact N-O 3.15Å; C45-G68 PolarHBondContact O-N 3.38Å; C45-G68 VanDerWaalsContact O-N 3.1Å; C45-V70 HydrophobicContact CB-CB 4.21Å; C45-V70 HydrophobicContact CB-CG2 3.71Å
46D97.6Very high90.7Very high13 Ų1375 Ų757%0.0737%0.369CS..EExtended strand (participates in β ladder)trans-111.2137.9169.5-71.3-40.7000109.8F27 I28 F48 K64 R65F27-D46 CarbonylContact C-O 3.54Å; F27-D46 WeakPolarHBondContact CA-O 3.48Å; I28-D46 PolarHBondContact N-O 3.22Å; I28-D46 PolarHBondContact O-N 3.23Å; D46-F48 HydrophobicContact CB-CD2 4.41Å; D46-F48 HydrophobicContact CB-CE2 3.67Å; D46-F48 HydrophobicContact CB-CZ 4.26Å; D46-K64 WeakPolarHBondContact OD1-CE 3.47Å; D46-K64 IonicContact OD1-NZ 2.75Å; D46-K64 WeakPolarHBondContact OD2-CE 3.34Å; D46-K64 IonicContact OD2-NZ 2.85Å; D46-K64 PolarHBondContact OD2-NZ 2.86Å; D46-R65 CarbonylContact C-O 3.58Å; D46-R65 WeakPolarHBondContact CA-O 3.48Å
47E97.3Very high89.9Confident11 Ų1176.4 Ų76.45%0.05138%0.375CS..EExtended strand (participates in β ladder)trans-97.6132.4169.2172-179.5172.400110R25 I26 F27 R49 K64 R65 L67R25-E47 WeakPolarHBondContact CD-OE1 3.39Å; R25-E47 IonicContact CZ-OE1 3.68Å; R25-E47 IonicContact NE-OE1 2.83Å; R25-E47 IonicContact NH1-OE1 2.66Å; R25-E47 PolarHBondContact NH1-OE1 2.82Å; R25-E47 IonicContact NH1-OE2 2.98Å; I26-E47 CarbonylContact O-C 3.56Å; I26-E47 WeakPolarHBondContact O-CA 3.32Å; F27-E47 HydrophobicContact CD1-CB 4.12Å; F27-E47 HydrophobicContact CD1-CG 4.11Å; F27-E47 HydrophobicContact CE1-CB 3.84Å; F27-E47 HydrophobicContact CE1-CG 3.61Å; F27-E47 HydrophobicContact CZ-CB 4.38Å; F27-E47 HydrophobicContact CZ-CG 4.4Å; E47-R49 HydrophobicContact CG-CG 3.96Å; E47-R49 WeakPolarHBondContact OE1-CD 3.44Å; E47-R49 WeakPolarHBondContact OE1-CG 3.32Å; E47-R49 IonicContact OE1-CZ 2.87Å; E47-R49 IonicContact OE1-NE 2.96Å; E47-R49 PolarHBondContact OE1-NE 3.2Å; E47-K64 CarbonylContact O-C 3.56Å; E47-K64 WeakPolarHBondContact O-CA 3.26Å; E47-R65 HydrophobicContact CB-CB 4.35Å; E47-R65 PolarHBondContact N-O 3.25Å; E47-R65 PolarHBondContact O-N 2.78Å; E47-L67 HydrophobicContact CB-CD1 3.9Å; E47-L67 HydrophobicContact CB-CG 4.17Å
48F96.2Very high88.7Confident40 Ų4077.3 Ų77.318%0.17538%0.38CS..EExtended strand (participates in β ladder)trans-116.4127.7172.4-63.3-98.8000109.4I26 I28 D46 E63 K64I26-F48 HydrophobicContact CB-CB 4.21Å; I26-F48 PolarHBondContact N-O 3.46Å; I26-F48 PolarHBondContact O-N 3.08Å; I28-F48 HydrophobicContact CB-CE2 4.14Å; I28-F48 HydrophobicContact CD1-CD2 3.9Å; I28-F48 HydrophobicContact CD1-CE2 3.6Å; I28-F48 HydrophobicContact CD1-CZ 4.31Å; I28-F48 HydrophobicContact CG1-CD2 4.04Å; I28-F48 HydrophobicContact CG1-CE2 3.92Å; D46-F48 HydrophobicContact CB-CD2 4.41Å; D46-F48 HydrophobicContact CB-CE2 3.67Å; D46-F48 HydrophobicContact CB-CZ 4.26Å; F48-E63 WeakPolarHBondContact CA-O 3.39Å; F48-K64 HydrophobicContact CD1-CB 4.38Å; F48-K64 HydrophobicContact CE1-CB 4.16Å; F48-K64 HydrophobicContact CE1-CD 4.24Å; F48-K64 HydrophobicContact CE1-CG 4.07Å; F48-K64 HydrophobicContact CZ-CD 4.2Å; F48-K64 HydrophobicContact CZ-CG 4.19Å
49R93.6Very high87.6Confident75 Ų7578.4 Ų78.428%0.28340%0.399SS..EExtended strand (participates in β ladder)trans-118.2125.5177-49.4-177.698.6-1681.3108.9R25 E47 I51 E62 E63R25-R49 HydrophobicContact CG-CG 4.28Å; R25-R49 VanDerWaalsContact NE-NH2 3.16Å; R25-R49 VanDerWaalsContact NH2-NH2 3.15Å; E47-R49 HydrophobicContact CG-CG 3.96Å; E47-R49 WeakPolarHBondContact OE1-CD 3.44Å; E47-R49 WeakPolarHBondContact OE1-CG 3.32Å; E47-R49 IonicContact OE1-CZ 2.87Å; E47-R49 IonicContact OE1-NE 2.96Å; E47-R49 PolarHBondContact OE1-NE 3.2Å; R49-I51 PolarHBondContact O-N 3.22Å; R49-E62 WeakPolarHBondContact O-CA 3.3Å; R49-E63 PolarHBondContact N-O 2.81Å; R49-E63 PolarHBondContact O-N 2.8Å
50K84.7Confident86.4Confident108 Ų10882 Ų8247%0.4742%0.415SS..EExtended strand (participates in β ladder)trans-75.7115.2173.2-73.7171.4164.8-105.20109.3E60 E62K50-E60 WeakPolarHBondContact CD-OE1 3.49Å; K50-E60 WeakPolarHBondContact CG-OE1 3.45Å; K50-E60 IonicContact NZ-OE1 2.77Å; K50-E60 PolarHBondContact NZ-OE1 2.76Å; K50-E60 IonicContact NZ-OE2 3.74Å; K50-E62 HydrophobicContact CG-CG 4.5Å
51I84.1Confident85.5Confident73 Ų7391 Ų9137%0.37445%0.449SS..EExtended strand (participates in β ladder)trans-92.5113.9173.8-59.7179.5000107.7R49 R61 E63R49-I51 PolarHBondContact O-N 3.22Å; I51-R61 WeakPolarHBondContact CB-O 3.48Å; I51-R61 PolarHBondContact N-O 3.22Å; I51-E63 HydrophobicContact CD1-CB 3.84Å; I51-E63 HydrophobicContact CG1-CB 4.34Å
52K77.9Confident84.8Confident189 Ų18993 Ų9382%0.82246%0.457SS*.  trans-62.4123.3170.8-69.2-176.3-179.71790108.6K54K52-K54 PolarHBondContact O-N 3.1Å
53P78.1Confident84.5Confident49 Ų4996 Ų9632%0.31847%0.471SS..  trans-65.3134.8179.328-34.2000109.2N55 Q58P53-N55 WeakPolarHBondContact CB-O 3.21Å; P53-N55 PolarHBondContact O-N 3.18Å; P53-Q58 HydrophobicContact CB-CB 3.87Å; P53-Q58 WeakPolarHBondContact CB-O 3.34Å; P53-Q58 WeakPolarHBondContact CG-O 3.37Å
54K79.5Confident84.4Confident208 Ų208100.2 Ų100.290%0.90449%0.486SS*.SBendtrans-66.3-26.1175.4-70.4-175.4178.5-178.80112.1K52K52-K54 PolarHBondContact O-N 3.1Å
55N80.6Confident84.4Confident107 Ų107100.2 Ų100.257%0.57248%0.478SS*.SBendtrans-118.3132.2175.9-888.1000110.3P53 K57 Q58P53-N55 WeakPolarHBondContact CB-O 3.21Å; P53-N55 PolarHBondContact O-N 3.18Å; N55-K57 PolarHBondContact O-N 2.77Å; N55-Q58 PolarHBondContact O-N 2.91Å
56S73.4Confident84.4Confident127 Ų127105.6 Ų105.689%0.88851%0.511SS*.THydrogen-bonded Turntrans-59-9.7178.849.10000115.6
57K76.8Confident84.4Confident204 Ų204108.4 Ų108.489%0.88753%0.525SS*.THydrogen-bonded Turntrans-91.9-9.5175.6-67.2-173.8178.2-178.80114.2N55N55-K57 PolarHBondContact O-N 2.77Å
58Q70.5Confident84.3Confident130 Ų130108.9 Ų108.961%0.60753%0.533SS*.SBendtrans-91.6132.8177-71.7-175.410.100110P53 N55P53-Q58 HydrophobicContact CB-CB 3.87Å; P53-Q58 WeakPolarHBondContact CB-O 3.34Å; P53-Q58 WeakPolarHBondContact CG-O 3.37Å; N55-Q58 PolarHBondContact O-N 2.91Å
59A71Confident84.4Confident88 Ų88113.3 Ų113.373%0.72756%0.558SS**PPolyproline II helixtrans-58148.7173.800000110.7R61A59-R61 PolarHBondContact O-N 3.2Å; A59-R61 VanDerWaalsContact O-N 3.16Å
60E71.5Confident84.5Confident117 Ų117110.7 Ų110.755%0.54755%0.55SS.*PPolyproline II helixtrans-56.1120.5173.2-169.1177.7178.500108.6K50K50-E60 WeakPolarHBondContact CD-OE1 3.49Å; K50-E60 WeakPolarHBondContact CG-OE1 3.45Å; K50-E60 IonicContact NZ-OE1 2.77Å; K50-E60 PolarHBondContact NZ-OE1 2.76Å; K50-E60 IonicContact NZ-OE2 3.74Å
61R77.5Confident85.2Confident188 Ų188111.4 Ų111.471%0.70956%0.559SS**EExtended strand (participates in β ladder)trans-102.8127.6179.5-172.1175.8-179.2179.30.6108.9I51 A59I51-R61 WeakPolarHBondContact CB-O 3.48Å; I51-R61 PolarHBondContact N-O 3.22Å; A59-R61 PolarHBondContact O-N 3.2Å; A59-R61 VanDerWaalsContact O-N 3.16Å
62E83.2Confident85.8Confident92 Ų92108.5 Ų108.543%0.4354%0.544SS..EExtended strand (participates in β ladder)trans-94.1127.3169-63.1-171163.400109.2R49 K50R49-E62 WeakPolarHBondContact O-CA 3.3Å; K50-E62 HydrophobicContact CG-CG 4.5Å
63E90.6Very high86.7Confident64 Ų64106.3 Ų106.330%0.29953%0.53SS..EExtended strand (participates in β ladder)trans-92.2122.4170.9-174.3-172.616300108.8F48 R49 I51 R65F48-E63 WeakPolarHBondContact CA-O 3.39Å; R49-E63 PolarHBondContact N-O 2.81Å; R49-E63 PolarHBondContact O-N 2.8Å; I51-E63 HydrophobicContact CD1-CB 3.84Å; I51-E63 HydrophobicContact CG1-CB 4.34Å; E63-R65 IonicContact OE1-CZ 2.82Å; E63-R65 VanDerWaalsContact OE1-CZ 3.23Å; E63-R65 IonicContact OE1-NE 3.6Å; E63-R65 PolarHBondContact OE1-NE 2.85Å; E63-R65 IonicContact OE1-NH2 3.69Å; E63-R65 PolarHBondContact OE1-NH2 2.93Å; E63-R65 IonicContact OE2-NH2 3.23Å
64K94.5Very high87.6Confident118 Ų118104.5 Ų104.551%0.51352%0.521SS..EExtended strand (participates in β ladder)trans-96.4132.5176-178.3-178.2179173.40110.4D46 E47 F48D46-K64 WeakPolarHBondContact OD1-CE 3.47Å; D46-K64 IonicContact OD1-NZ 2.75Å; D46-K64 WeakPolarHBondContact OD2-CE 3.34Å; D46-K64 IonicContact OD2-NZ 2.85Å; D46-K64 PolarHBondContact OD2-NZ 2.86Å; E47-K64 CarbonylContact O-C 3.56Å; E47-K64 WeakPolarHBondContact O-CA 3.26Å; F48-K64 HydrophobicContact CD1-CB 4.38Å; F48-K64 HydrophobicContact CE1-CB 4.16Å; F48-K64 HydrophobicContact CE1-CD 4.24Å; F48-K64 HydrophobicContact CE1-CG 4.07Å; F48-K64 HydrophobicContact CZ-CD 4.2Å; F48-K64 HydrophobicContact CZ-CG 4.19Å
65R96.4Very high88.4Confident103 Ų10399.6 Ų99.639%0.38950%0.501SS..EExtended strand (participates in β ladder)trans-128131.6170.5-63.9-179.4-178.3-171.4-2.9110D46 E47 E63D46-R65 CarbonylContact C-O 3.58Å; D46-R65 WeakPolarHBondContact CA-O 3.48Å; E47-R65 HydrophobicContact CB-CB 4.35Å; E47-R65 PolarHBondContact N-O 3.25Å; E47-R65 PolarHBondContact O-N 2.78Å; E63-R65 IonicContact OE1-CZ 2.82Å; E63-R65 VanDerWaalsContact OE1-CZ 3.23Å; E63-R65 IonicContact OE1-NE 3.6Å; E63-R65 PolarHBondContact OE1-NE 2.85Å; E63-R65 IonicContact OE1-NH2 3.69Å; E63-R65 PolarHBondContact OE1-NH2 2.93Å; E63-R65 IonicContact OE2-NH2 3.23Å
66V97.3Very high89.2Confident114 Ų11497.3 Ų97.369%0.69149%0.489SS*.EExtended strand (participates in β ladder)trans-84.7127.3177.1-177.20000108.7
67L97Very high90.3Very high72 Ų7292.5 Ų92.538%0.37745%0.453SS..EExtended strand (participates in β ladder)trans-108-42.9179.3-57.6-178.9000112.2F27 C45 E47 V70F27-L67 HydrophobicContact CD2-CD1 4.05Å; F27-L67 HydrophobicContact CE1-CD1 4.41Å; F27-L67 HydrophobicContact CE2-CD1 3.49Å; F27-L67 VanDerWaalsContact CE2-CD1 3.49Å; F27-L67 HydrophobicContact CZ-CD1 3.69Å; C45-L67 HydrophobicContact CB-CB 4.47Å; C45-L67 WeakPolarHBondContact O-CA 3.33Å; C45-L67 WeakPolarHBondContact O-CB 3.17Å; C45-L67 PolarHBondContact O-N 2.75Å; E47-L67 HydrophobicContact CB-CD1 3.9Å; E47-L67 HydrophobicContact CB-CG 4.17Å; L67-V70 HydrophobicContact CB-CG2 3.57Å; L67-V70 HydrophobicContact CD1-CG2 3.78Å; L67-V70 HydrophobicContact CG-CG2 4.35Å
68G96.5Very high91.3Very high21 Ų2187.2 Ų87.222%0.21644%0.437CS..EExtended strand (participates in β ladder)trans90.4-121.5-174.400000112.3D44 C45D44-G68 PolarHBondContact N-O 2.87Å; C45-G68 VanDerWaalsContact CB-O 3.31Å; C45-G68 WeakPolarHBondContact CB-O 3.48Å; C45-G68 PolarHBondContact N-O 3.15Å; C45-G68 PolarHBondContact O-N 3.38Å; C45-G68 VanDerWaalsContact O-N 3.1Å
69L97Very high92.5Very high132 Ų13283.3 Ų83.369%0.69142%0.424SS*.EExtended strand (participates in β ladder)trans-84.1124.6177.7-179.665.4000110.7I41I41-L69 HydrophobicContact CG2-CD1 3.93Å
70V97.7Very high93.7Very high21 Ų2181 Ų8113%0.12740%0.399CS..EExtended strand (participates in β ladder)trans-129.5130.7-175.9176.50000110.8F27 I41 L42 C45 L67F27-V70 HydrophobicContact CD2-CG1 4.16Å; F27-V70 HydrophobicContact CE2-CG1 3.95Å; I41-V70 WeakPolarHBondContact CA-O 3.41Å; L42-V70 HydrophobicContact CB-CB 4.43Å; L42-V70 PolarHBondContact N-O 2.97Å; L42-V70 PolarHBondContact O-N 2.91Å; C45-V70 HydrophobicContact CB-CB 4.21Å; C45-V70 HydrophobicContact CB-CG2 3.71Å; L67-V70 HydrophobicContact CB-CG2 3.57Å; L67-V70 HydrophobicContact CD1-CG2 3.78Å; L67-V70 HydrophobicContact CG-CG2 4.35Å
71L97.5Very high94.9Very high122 Ų12278.9 Ų78.964%0.63939%0.394SS*.EExtended strand (participates in β ladder)trans-97.7108.5160.3-173.2159.4000108.3L40 I41L40-L71 CarbonylContact O-C 3.55Å; L40-L71 WeakPolarHBondContact O-CA 3.33Å; I41-L71 HydrophobicContact CD1-CB 3.82Å; I41-L71 HydrophobicContact CD1-CD1 3.79Å; I41-L71 HydrophobicContact CD1-CG 3.67Å
72L97.4Very high95.8Very high12 Ų1273.2 Ų73.26%0.06338%0.38CS..EExtended strand (participates in β ladder)trans-91.7127.9176.6-179.764.8000109.7C19 L21 N39 L40 L77C19-L72 HydrophobicContact CB-CD2 4.32Å; L21-L72 HydrophobicContact CD1-CD1 4.04Å; L21-L72 HydrophobicContact CD1-CD2 3.85Å; L21-L72 HydrophobicContact CD2-CD1 3.91Å; L21-L72 HydrophobicContact CG-CD1 4.09Å; N39-L72 CarbonylContact C-O 3.57Å; N39-L72 WeakPolarHBondContact CA-O 3.47Å; L40-L72 HydrophobicContact CB-CB 4.34Å; L40-L72 HydrophobicContact CD1-CD2 4.21Å; L40-L72 PolarHBondContact N-O 2.89Å; L40-L72 PolarHBondContact O-N 3.1Å; L72-L77 HydrophobicContact CD2-CD1 3.89Å
73R96.8Very high96.5Very high144 Ų14472.5 Ų72.554%0.54338%0.377SS..  trans-77129174.9-170.3166.2168.2145.7-11.7110.8N39 E75 N76N39-R73 WeakPolarHBondContact OD1-CA 3.49Å; R73-E75 WeakPolarHBondContact CD-OE1 3.38Å; R73-E75 HydrophobicContact CG-CG 3.94Å; R73-E75 IonicContact CZ-OE1 3.57Å; R73-E75 IonicContact CZ-OE2 3.88Å; R73-E75 VanDerWaalsContact CZ-OE2 3.32Å; R73-E75 IonicContact NE-OE1 3.04Å; R73-E75 PolarHBondContact NE-OE1 3.04Å; R73-E75 IonicContact NE-OE2 3.86Å; R73-E75 PolarHBondContact NE-OE2 3.01Å; R73-E75 IonicContact NH2-OE1 3.61Å; R73-E75 IonicContact NH2-OE2 3.32Å; R73-E75 PolarHBondContact NH2-OE2 3.13Å; R73-E75 PolarHBondContact O-N 2.91Å; R73-N76 PolarHBondContact O-N 3.04Å; R73-N76 VanDerWaalsContact O-N 3.13Å
74G96.6Very high96.7Very high11 Ų1170 Ų7011%0.11337%0.369CS..G310 helixtrans-66.2-20.5-171.200000115.4H37 M38 N39 N76 L77H37-G74 WeakPolarHBondContact O-CA 3.28Å; M38-G74 VanDerWaalsContact C-CA 3.46Å; M38-G74 WeakPolarHBondContact O-CA 3.47Å; N39-G74 PolarHBondContact OD1-N 3.13Å; G74-N76 PolarHBondContact O-N 2.79Å; G74-L77 WeakPolarHBondContact O-CB 3.47Å; G74-L77 PolarHBondContact O-N 3.44Å; G74-L77 VanDerWaalsContact O-N 3.16Å
75E97.1Very high96.8Very high105 Ų10569.3 Ų69.349%0.49138%0.376SS..G310 helixtrans-62.2-28.4174.277.7-163.817100112.8Q22 R73Q22-E75 VanDerWaalsContact CD-O 3.29Å; Q22-E75 PolarHBondContact NE2-O 3.37Å; R73-E75 WeakPolarHBondContact CD-OE1 3.38Å; R73-E75 HydrophobicContact CG-CG 3.94Å; R73-E75 IonicContact CZ-OE1 3.57Å; R73-E75 IonicContact CZ-OE2 3.88Å; R73-E75 VanDerWaalsContact CZ-OE2 3.32Å; R73-E75 IonicContact NE-OE1 3.04Å; R73-E75 PolarHBondContact NE-OE1 3.04Å; R73-E75 IonicContact NE-OE2 3.86Å; R73-E75 PolarHBondContact NE-OE2 3.01Å; R73-E75 IonicContact NH2-OE1 3.61Å; R73-E75 IonicContact NH2-OE2 3.32Å; R73-E75 PolarHBondContact NH2-OE2 3.13Å; R73-E75 PolarHBondContact O-N 2.91Å
76N97Very high96.7Very high59 Ų5966.6 Ų66.632%0.31637%0.372SS..G310 helixtrans-89.8-7-179.7-61.9-60.1000112.5L21 Q22 R73 G74L21-N76 CarbonylContact C-O 3.46Å; L21-N76 WeakPolarHBondContact CA-O 3.35Å; Q22-N76 PolarHBondContact N-O 3.12Å; R73-N76 PolarHBondContact O-N 3.04Å; R73-N76 VanDerWaalsContact O-N 3.13Å; G74-N76 PolarHBondContact O-N 2.79Å
77L97.1Very high96.3Very high26 Ų2663.7 Ų63.714%0.13636%0.355CS..EExtended strand (participates in β ladder)trans-85.3128-176.1-176.472.6000110.6C19 M38 L40 L72 G74 M80C19-L77 HydrophobicContact CB-CD1 3.8Å; M38-L77 HydrophobicContact CB-CD2 4.27Å; M38-L77 HydrophobicContact CE-CD2 4.06Å; L40-L77 HydrophobicContact CD1-CD1 4.04Å; L40-L77 HydrophobicContact CD1-CD2 3.82Å; L40-L77 HydrophobicContact CD2-CD2 4.41Å; L40-L77 HydrophobicContact CG-CD2 4.26Å; L72-L77 HydrophobicContact CD2-CD1 3.89Å; G74-L77 WeakPolarHBondContact O-CB 3.47Å; G74-L77 PolarHBondContact O-N 3.44Å; G74-L77 VanDerWaalsContact O-N 3.16Å; L77-M80 HydrophobicContact CD1-CG 3.87Å; L77-M80 HydrophobicContact CD2-CG 3.94Å; L77-M80 HydrophobicContact CD2-SD 3.79Å; L77-M80 HydrophobicContact CG-CG 4.32Å
78V96.8Very high95.7Very high92 Ų9270 Ų7056%0.55838%0.379SS*.EExtended strand (participates in β ladder)trans-98.8-51.5176.3177.90000110.8I20 Q22I20-V78 WeakPolarHBondContact O-CB 3.39Å; I20-V78 PolarHBondContact O-N 3.19Å; Q22-V78 HydrophobicContact CB-CG2 4.28Å; Q22-V78 HydrophobicContact CG-CG2 3.73Å
79S95.5Very high94.5Very high48 Ų4874 Ų7434%0.33640%0.396SS..EExtended strand (participates in β ladder)trans-154.1161.3-178.665.40000112.2C19 I20C19-S79 WeakPolarHBondContact CA-O 3.41Å; I20-S79 PolarHBondContact N-O 3.15Å
80M95.9Very high92.8Very high40 Ų4070.8 Ų70.820%0.19738%0.382CS..EExtended strand (participates in β ladder)trans-132.6138.5176.2-62.3175.566.600109.9M9 M17 R18 F31 M38 L40 L77M9-M80 HydrophobicContact CE-CE 4.07Å; M9-M80 HydrophobicContact CE-SD 3.87Å; M17-M80 HydrophobicContact CB-CE 4.3Å; M17-M80 HydrophobicContact CE-CB 3.86Å; M17-M80 HydrophobicContact CE-CE 3.95Å; M17-M80 HydrophobicContact CG-CE 4.26Å; R18-M80 CarbonylContact O-C 3.56Å; R18-M80 VanDerWaalsContact O-CA 3.28Å; R18-M80 WeakPolarHBondContact O-CA 3.14Å; F31-M80 HydrophobicContact CD1-CE 4.34Å; F31-M80 HydrophobicContact CD2-CE 4.19Å; F31-M80 HydrophobicContact CE1-CE 4.41Å; F31-M80 HydrophobicContact CE2-CE 4.24Å; F31-M80 HydrophobicContact CG-CE 4.24Å; F31-M80 HydrophobicContact CZ-CE 4.35Å; M38-M80 HydrophobicContact CE-SD 4.12Å; L40-M80 HydrophobicContact CD1-CE 3.6Å; L40-M80 HydrophobicContact CD1-CG 4.27Å; L40-M80 HydrophobicContact CD1-SD 3.47Å; L40-M80 WeakPolarHBondContact CD1-SD 3.4Å; L40-M80 HydrophobicContact CD2-CE 4.32Å; L40-M80 HydrophobicContact CD2-SD 4.01Å; L40-M80 HydrophobicContact CG-SD 4.4Å; L77-M80 HydrophobicContact CD1-CG 3.87Å; L77-M80 HydrophobicContact CD2-CG 3.94Å; L77-M80 HydrophobicContact CD2-SD 3.79Å; L77-M80 HydrophobicContact CG-CG 4.32Å
81T97Very high90.9Very high72 Ų7273.1 Ų73.144%0.44241%0.411SS..EExtended strand (participates in β ladder)trans-135.8152.6172.761.20000111M17 R18 E83M17-T81 WeakPolarHBondContact CA-O 3.2Å; M17-T81 WeakPolarHBondContact CE-O 3.45Å; R18-T81 PolarHBondContact N-O 3.44Å; R18-T81 PolarHBondContact O-N 2.82Å; T81-E83 PolarHBondContact O-N 2.75Å
82V97.3Very high88.7Confident70 Ų7074.4 Ų74.442%0.42442%0.417SS..EExtended strand (participates in β ladder)trans-71.7125.2174.1179.80000108.9H12 Y15 M17H12-V82 VanDerWaalsContact CD2-CG2 3.48Å; H12-V82 WeakPolarHBondContact CD2-CG2 3.48Å; Y15-V82 HydrophobicContact CD1-CG1 3.71Å; Y15-V82 HydrophobicContact CE1-CG1 4.42Å; M17-V82 HydrophobicContact CE-CG2 4.37Å; M17-V82 HydrophobicContact SD-CB 4.42Å; M17-V82 HydrophobicContact SD-CG2 3.88Å
83E96.6Very high86.8Confident77 Ų7777.8 Ų77.836%0.3645%0.446SS..EExtended strand (participates in β ladder)trans-98.9-38.8174.2-172.6-87.1171.500111.6R16 R18 I28 T81R16-E83 WeakPolarHBondContact CD-OE2 3.41Å; R16-E83 VanDerWaalsContact CG-OE2 3.26Å; R16-E83 WeakPolarHBondContact CG-OE2 3.37Å; R16-E83 IonicContact CZ-OE2 3.83Å; R16-E83 IonicContact NE-OE2 2.63Å; R16-E83 IonicContact NH1-OE1 3.19Å; R16-E83 IonicContact NH1-OE2 3.04Å; R16-E83 PolarHBondContact NH1-OE2 2.63Å; R16-E83 WeakPolarHBondContact O-CA 3.38Å; R16-E83 WeakPolarHBondContact O-CB 3.19Å; R16-E83 PolarHBondContact O-N 3.1Å; R18-E83 HydrophobicContact CB-CB 4.32Å; I28-E83 HydrophobicContact CD1-CG 4.49Å; I28-E83 HydrophobicContact CG2-CB 4.34Å; I28-E83 HydrophobicContact CG2-CG 4.05Å; T81-E83 PolarHBondContact O-N 2.75Å
84G96.3Very high84.9Confident12 Ų1279.7 Ų79.712%0.12445%0.453CS..EExtended strand (participates in β ladder)trans-158.6163.2-17600000113.4R16R16-G84 PolarHBondContact N-O 3.35Å; R16-G84 PolarHBondContact O-N 2.88Å; R16-G84 VanDerWaalsContact O-N 3.13Å
85P96.1Very high83Confident103 Ų10384.7 Ų84.767%0.66948%0.481SS*.PPolyproline II helixtrans-67164.117931.1-36.3000111.5
86P94.3Very high80.9Confident46 Ų4685.1 Ų85.130%0.29949%0.493SS..PPolyproline II helixtrans-57.3132.9174.2-26.135.5000112.8D14 Y15 K88D14-P86 HydrophobicContact CB-CB 4.02Å; D14-P86 HydrophobicContact CB-CG 4.34Å; D14-P86 WeakPolarHBondContact O-CA 3.46Å; D14-P86 WeakPolarHBondContact O-CB 3.37Å; Y15-P86 HydrophobicContact CD1-CG 4.33Å; Y15-P86 HydrophobicContact CD2-CG 3.64Å; Y15-P86 HydrophobicContact CE1-CG 4.4Å; Y15-P86 HydrophobicContact CE2-CG 3.69Å; Y15-P86 HydrophobicContact CG-CG 3.98Å; P86-K88 PolarHBondContact O-N 2.82Å
87P89.8Confident78.8Confident52 Ų5288.5 Ų88.534%0.33851%0.51SS..PPolyproline II helixtrans-58.4137.6169.4-2232.9000110.2D14 T30 D89 T90D14-P87 WeakPolarHBondContact O-CD 3.41Å; T30-P87 HydrophobicContact CG2-CG 4.36Å; P87-D89 PolarHBondContact O-N 3.34Å; P87-D89 VanDerWaalsContact O-N 3.1Å; P87-T90 PolarHBondContact O-OG1 2.91Å
88K83.7Confident76.5Confident204 Ų20492.2 Ų92.289%0.88755%0.545SS*.SBendtrans-62.5-18.5-178.4-60.6179.2-179.1178.70113.2P86 T90P86-K88 PolarHBondContact O-N 2.82Å; K88-T90 PolarHBondContact O-N 3.01Å
89D71.7Confident74.5Confident106 Ų10690.3 Ų90.357%0.56754%0.544SS*.  trans-88.436.8-175.9-53.3-23.6000112.8P87 G91 R94P87-D89 PolarHBondContact O-N 3.34Å; P87-D89 VanDerWaalsContact O-N 3.1Å; D89-G91 PolarHBondContact O-N 2.88Å; D89-R94 IonicContact OD2-NH2 3.53Å; D89-R94 PolarHBondContact OD2-NH2 3.42Å
90T61Low72.8Confident64 Ų6491.7 Ų91.739%0.39356%0.559SS.*THydrogen-bonded Turntrans-70.74.6-165.3-18.80000115D14 P87 K88D14-T90 HydrophobicContact CB-CG2 3.71Å; D14-T90 VanDerWaalsContact OD1-CG2 3.32Å; D14-T90 WeakPolarHBondContact OD1-CG2 3.25Å; P87-T90 PolarHBondContact O-OG1 2.91Å; K88-T90 PolarHBondContact O-N 3.01Å
91G57.5Low71Confident71 Ų7193.9 Ų93.973%0.73258%0.583SS**THydrogen-bonded Turntrans-120.8-1.6-162.100000118.7D89D89-G91 PolarHBondContact O-N 2.88Å
92I51.6Low68.7Low149 Ų14993.8 Ų93.876%0.76460%0.596SS**  trans-142.7115.3-177.1-22.8174.7000110.4R94I92-R94 PolarHBondContact O-N 2.87Å
93A56.7Low66.8Low82 Ų8292.3 Ų92.368%0.67860%0.595SS**  trans-51.9111.7167.800000108.3V95A93-V95 PolarHBondContact O-N 2.98Å
94R58.1Low65.4Low185 Ų18595.6 Ų95.670%0.69862%0.623SS**  trans-69.419.6175.7-65.6-174.2-177.2159.5-1.5113D89 I92 P96D89-R94 IonicContact OD2-NH2 3.53Å; D89-R94 PolarHBondContact OD2-NH2 3.42Å; I92-R94 PolarHBondContact O-N 2.87Å; R94-P96 WeakPolarHBondContact O-CD 3.05Å
95V56Low63.9Low115 Ų11598.9 Ų98.970%0.69766%0.656SS**SBendtrans-71.1112.5161.2-174.80000104.2A93 L97A93-V95 PolarHBondContact O-N 2.98Å; V95-L97 VanDerWaalsContact C-N 3.32Å; V95-L97 PolarHBondContact O-N 2.81Å
96P52.7Low62.1Low115 Ų11599.3 Ų99.375%0.74765%0.652SS**  trans-58.7109.9164.5-8.925.4000104.1R94 A98R94-P96 WeakPolarHBondContact O-CD 3.05Å; P96-A98 VanDerWaalsContact C-N 3.29Å; P96-A98 PolarHBondContact O-N 2.66Å
97L52.7Low60.6Low129 Ų129100.5 Ų100.568%0.67567%0.672SS**  trans-57.1109.3161.8-179.172.2000103.7V95 G99 A100V95-L97 VanDerWaalsContact C-N 3.32Å; V95-L97 PolarHBondContact O-N 2.81Å; L97-G99 VanDerWaalsContact C-N 3.34Å; L97-G99 PolarHBondContact O-N 3.28Å; L97-A100 HydrophobicContact CB-CB 3.83Å; L97-A100 HydrophobicContact CD2-CB 4.15Å; L97-A100 HydrophobicContact CG-CB 4.4Å; L97-A100 PolarHBondContact O-N 2.73Å
98A48.9Very low59.2Low105 Ų105109.7 Ų109.787%0.86870%0.7SS**THydrogen-bonded Turntrans-55.1105.817200000106.2P96P96-A98 VanDerWaalsContact C-N 3.29Å; P96-A98 PolarHBondContact O-N 2.66Å
99G56.1Low58.2Low52 Ų52104.5 Ų104.554%0.53670%0.695SS.*THydrogen-bonded Turntrans114.7-6.8-173.200000117.6L97L97-G99 VanDerWaalsContact C-N 3.34Å; L97-G99 PolarHBondContact O-N 3.28Å
100A59.6Low57.5Low77 Ų77104.3 Ų104.364%0.63671%0.709SS**THydrogen-bonded Turntrans-80.3-27.8175.900000113.8L97L97-A100 HydrophobicContact CB-CB 3.83Å; L97-A100 HydrophobicContact CD2-CB 4.15Å; L97-A100 HydrophobicContact CG-CB 4.4Å; L97-A100 PolarHBondContact O-N 2.73Å
101A56.7Low57.1Low86 Ų86104.7 Ų104.771%0.71173%0.725SS**SBendtrans-87.9117.316300000107G103A101-G103 PolarHBondContact O-N 3.29Å
102G49.4Very low56.8Low70 Ų70113.4 Ų113.472%0.72274%0.736SS**  trans-59.178.8175.300000111.9
103G58.2Low56.5Low38 Ų38109.5 Ų109.539%0.39273%0.733SS.*  trans-81.3145.5171.300000109.9A101 G105A101-G103 PolarHBondContact O-N 3.29Å; G103-G105 PolarHBondContact O-N 2.89Å; G103-G105 VanDerWaalsContact O-N 3.13Å
104P66.4Low56.4Low147 Ų147113 Ų11396%0.95574%0.738SS**THydrogen-bonded Turntrans-51.7120.7168.5-23.233000110
105G63.9Low56.1Low80 Ų80109.5 Ų109.583%0.82574%0.74SS**THydrogen-bonded Turntrans128.43.2-178.500000116.8G103 G107G103-G105 PolarHBondContact O-N 2.89Å; G103-G105 VanDerWaalsContact O-N 3.13Å; G105-G107 PolarHBondContact O-N 2.92Å
106I59.5Low55.9Low113 Ų113109.3 Ų109.358%0.57975%0.75SS**  trans-68.5114.4174.8-62.1169.7000110.1R108I106-R108 PolarHBondContact O-N 2.89Å
107G62.4Low56Low70 Ų70107.3 Ų107.372%0.72275%0.75SS**PPolyproline II helixtrans-65.5116.2171.200000110.9G105 A109G105-G107 PolarHBondContact O-N 2.92Å; G107-A109 PolarHBondContact O-N 2.84Å
108R60.2Low56.1Low245 Ų245106.6 Ų106.693%0.92575%0.751SS**PPolyproline II helixtrans-65.3120.3165.9-115.5-178.4-162.6135.13.2107.8I106 A110I106-R108 PolarHBondContact O-N 2.89Å; R108-A110 PolarHBondContact O-N 2.88Å
109A63.7Low56.6Low95 Ų95107.5 Ų107.579%0.78575%0.748SS**PPolyproline II helixtrans-56.6126.1164.100000108.3G107 G111G107-A109 PolarHBondContact O-N 2.84Å; A109-G111 VanDerWaalsContact C-N 3.26Å; A109-G111 PolarHBondContact O-N 2.94Å
110A56.3Low56.7Low102 Ų102113 Ų11384%0.84376%0.762SS**  trans-66.589173.900000108.6R108 R112R108-A110 PolarHBondContact O-N 2.88Å; A110-R112 PolarHBondContact O-N 3.24Å; A110-R112 VanDerWaalsContact O-N 3.08Å
111G51.5Low57Low72 Ų72114.8 Ų114.874%0.74277%0.767SS**  trans-62.2107.1173.100000109.4A109 G113A109-G111 VanDerWaalsContact C-N 3.26Å; A109-G111 PolarHBondContact O-N 2.94Å; G111-G113 PolarHBondContact O-N 2.83Å
112R51.3Low57Low254 Ų254120.2 Ų120.296%0.95878%0.778SS**  trans-63.1111.5172.2-160.6165.2-178159.5-2.4108.4A110A110-R112 PolarHBondContact O-N 3.24Å; A110-R112 VanDerWaalsContact O-N 3.08Å
113G46.2Very low57.5Low67 Ų67121 Ų12169%0.69178%0.778SS**  trans88.282.4157.100000116.8G111G111-G113 PolarHBondContact O-N 2.83Å
114I53.9Low57.5Low156 Ų156125.2 Ų125.280%0.880%0.798SS**  trans-124.6123.1140.5-58.4-175.4000106.5A116I114-A116 PolarHBondContact O-N 3.4Å
115P51.5Low57.3Low112 Ų112123.7 Ų123.773%0.72780%0.797SS**  trans-64.2121.6174.525.7-30.9000109.4G117P115-G117 PolarHBondContact O-N 2.84Å
116A53Low57.2Low110 Ų110122.7 Ų122.791%0.90979%0.787SS**THydrogen-bonded Turntrans-62.7113.7164.300000107.9I114I114-A116 PolarHBondContact O-N 3.4Å
117G55.1Low57.2Low73 Ų73125.7 Ų125.775%0.75380%0.803SS**THydrogen-bonded Turntrans164.3-10.7176.100000117.6P115P115-G117 PolarHBondContact O-N 2.84Å
118V54.3Low56.9Low115 Ų115126.9 Ų126.970%0.69781%0.807SS**  trans-90.7120.9177.5-77.20000111.5M120V118-M120 PolarHBondContact O-N 3.2Å; V118-M120 VanDerWaalsContact O-N 3.15Å
119P59.4Low56.9Low123 Ų123117.9 Ų117.980%0.79979%0.79SS**  trans-69.9110.4173.827.2-28.9000108.6
120M58.4Low57Low168 Ų168119.9 Ų119.983%0.82880%0.795SS**PPolyproline II helixtrans-77.9134.8171.5-79.3-89.5-77.600109.3V118 Q122V118-M120 PolarHBondContact O-N 3.2Å; V118-M120 VanDerWaalsContact O-N 3.15Å; M120-Q122 PolarHBondContact O-N 3.37Å
121P66.3Low57Low115 Ų115120.3 Ų120.375%0.74779%0.787SS**PPolyproline II helixtrans-59.6132.6175.2-18.329.9000110.7A123P121-A123 PolarHBondContact O-N 2.75Å; P121-A123 VanDerWaalsContact O-N 3.16Å
122Q56.4Low57.3Low200 Ų200128.9 Ų128.994%0.93580%0.797SS**PPolyproline II helixtrans-55.4117170.8-97171.1-56.500110M120M120-Q122 PolarHBondContact O-N 3.37Å
123A59.9Low57.9Low87 Ų87120.5 Ų120.572%0.71979%0.789SS**PPolyproline II helixtrans-70.6148.8162.500000109.6P121 A125P121-A123 PolarHBondContact O-N 2.75Å; P121-A123 VanDerWaalsContact O-N 3.16Å; A123-A125 PolarHBondContact O-N 3.24Å
124P58.8Low58.7Low126 Ų126123.2 Ų123.282%0.81879%0.792SS**PPolyproline II helixtrans-59.9134.5-173.1-18.930000112.3G126P124-G126 PolarHBondContact O-N 3.05Å
125A61Low59.1Low114 Ų114119.6 Ų119.694%0.94279%0.793SS**SBendtrans-65.290.4170.700000109.9A123A123-A125 PolarHBondContact O-N 3.24Å
126G61.6Low60.1Low59 Ų59117.2 Ų117.261%0.60879%0.789SS**  trans-147.4-9.2-177.500000116.7P124P124-G126 PolarHBondContact O-N 3.05Å
127L61Low60.8Low176 Ų176116.1 Ų116.192%0.92177%0.773SS**  trans-118.633.6174.8-84.689.4000112.1G129L127-G129 PolarHBondContact O-N 3.25Å
128A55.6Low61.3Low96 Ų96115.9 Ų115.979%0.79376%0.759SS**  trans-55.9127.1167.500000108.8
129G59.7Low62Low55 Ų55117.7 Ų117.757%0.56776%0.76SS**  trans-64.1-165.3-165.900000116.3L127 V131L127-G129 PolarHBondContact O-N 3.25Å; G129-V131 PolarHBondContact O-N 3.34Å; G129-V131 VanDerWaalsContact O-N 3.11Å
130P66.8Low62.5Low138 Ų138119.8 Ų119.890%0.89676%0.759SS**SBendtrans-51.3123.6178-20.530000109.7R132P130-R132 PolarHBondContact O-N 3.44Å
131V55.1Low63.3Low111 Ų111116.8 Ų116.867%0.67375%0.75SS**  trans-56.9110.8-176.4-179.50000108.8G129 G133 V134G129-V131 PolarHBondContact O-N 3.34Å; G129-V131 VanDerWaalsContact O-N 3.11Å; V131-G133 PolarHBondContact O-N 3.02Å; V131-V134 HydrophobicContact CB-CG2 4.34Å; V131-V134 HydrophobicContact CG1-CG2 3.8Å
132R58Low63.7Low252 Ų252117 Ų11795%0.95174%0.743SS**THydrogen-bonded Turntrans-67.2103.7171.6-172.5165.4-177134.1-2.1107.5P130P130-R132 PolarHBondContact O-N 3.44Å
133G63.1Low64.6Low77 Ų77111.7 Ų111.779%0.79472%0.724SS**THydrogen-bonded Turntrans135.4-4.7173.700000116.6V131V131-G133 PolarHBondContact O-N 3.02Å
134V63.7Low65.2Low124 Ų124113.5 Ų113.575%0.75273%0.728SS**SBendtrans-108.4112.1178.7-173.90000109.9V131V131-V134 HydrophobicContact CB-CG2 4.34Å; V131-V134 HydrophobicContact CG1-CG2 3.8Å
135G63.6Low65.4Low80 Ų80116.5 Ų116.583%0.82573%0.732SS**SBendtrans97.45.5161.800000118.4
136G71Confident65.1Low62 Ų62115.1 Ų115.164%0.63973%0.728SS**PPolyproline II helixtrans-82.9142.9175.100000112.9
137P68Low64.4Low88 Ų88124 Ų12457%0.57174%0.743SS**PPolyproline II helixtrans-57.3143.5175.620.7-28.1000111.1M142P137-M142 HydrophobicContact CG-CE 4.33Å; P137-M142 WeakPolarHBondContact O-CE 3.09Å
138S65Low63.7Low67 Ų67118.7 Ų118.747%0.46973%0.73SS.*PPolyproline II helixtrans-61.7147.6-177.148.30000111.7Q140 V141S138-Q140 PolarHBondContact O-N 3.37Å; S138-V141 WeakPolarHBondContact O-CB 3.43Å; S138-V141 PolarHBondContact O-N 3.19Å
139Q68.8Low63.1Low154 Ų154120.8 Ų120.872%0.7273%0.734SS**G310 helixtrans-50.2-31.6178.9-80.6-93.111.200113.1V141 M142Q139-V141 VanDerWaalsContact C-N 3.26Å; Q139-V141 PolarHBondContact O-N 3.16Å; Q139-M142 PolarHBondContact O-N 3.13Å; Q139-M142 VanDerWaalsContact O-N 3.1Å
140Q70.5Confident62.3Low167 Ų167125.4 Ų125.478%0.7875%0.75SS**G310 helixtrans-67.6-23.3178.1-70.1165.5-9.400113.5S138 T143S138-Q140 PolarHBondContact O-N 3.37Å; Q140-T143 PolarHBondContact O-OG1 3.28Å
141V75.8Confident61Low105 Ų105123.5 Ų123.564%0.63675%0.747SS**G310 helixtrans-83.3-17.8174.5-178.20000111.4S138 Q139S138-V141 WeakPolarHBondContact O-CB 3.43Å; S138-V141 PolarHBondContact O-N 3.19Å; Q139-V141 VanDerWaalsContact C-N 3.26Å; Q139-V141 PolarHBondContact O-N 3.16Å
142M74.5Confident60.2Low120 Ų120123 Ų12359%0.59175%0.754SS**SBendtrans-90.8-5.9179.6-69.9-172-122.400114.3P137 Q139 P144P137-M142 HydrophobicContact CG-CE 4.33Å; P137-M142 WeakPolarHBondContact O-CE 3.09Å; Q139-M142 PolarHBondContact O-N 3.13Å; Q139-M142 VanDerWaalsContact O-N 3.1Å; M142-P144 WeakPolarHBondContact O-CD 3.4Å
143T74.8Confident59.3Low88 Ų88115.8 Ų115.854%0.5475%0.749SS.*SBendtrans-93113.5179.2480000111.5Q140 Q145Q140-T143 PolarHBondContact O-OG1 3.28Å; T143-Q145 PolarHBondContact O-N 2.93Å; T143-Q145 VanDerWaalsContact O-N 3.16Å
144P72Confident58.2Low125 Ų125116.7 Ų116.781%0.81275%0.748SS**  trans-67.2113.3172.526-31.2000109.9M142 G146M142-P144 WeakPolarHBondContact O-CD 3.4Å; P144-G146 PolarHBondContact O-N 2.88Å
145Q63Low57.1Low189 Ų189115.7 Ų115.788%0.88375%0.753SS**  trans-72.9112.2169.4-79.4-178.7-19.800109.4T143 R147T143-Q145 PolarHBondContact O-N 2.93Å; T143-Q145 VanDerWaalsContact O-N 3.16Å; Q145-R147 PolarHBondContact O-N 3.13Å
146G55.5Low56Low84 Ų84116.5 Ų116.587%0.86675%0.752SS**  trans-70.3108.1171.500000110.8P144P144-G146 PolarHBondContact O-N 2.88Å
147R47.8Very low54.8Low247 Ų247117.8 Ų117.893%0.93276%0.757SS**  trans-112.3123.6165.6-122.3176.1179.8167.2-0.7108Q145Q145-R147 PolarHBondContact O-N 3.13Å
148G46Very low53.5Low63 Ų63120.3 Ų120.365%0.64977%0.77SS**  trans-75.3177.4-16600000116.3
149T42.1Very low52.5Low141 Ų141121.2 Ų121.287%0.86578%0.782SS**  trans65.993.315568.20000117.4
150V43.6Very low51.3Low151 Ų151119.7 Ų119.792%0.91579%0.788SS**  -148.9127.5129-82.30000108.8
151A39.1Very low50.1Low99 Ų99120.1 Ų120.182%0.81879%0.794SS**  trans-77.2162.2176.700000111.8
152A37.8Very low48.7Very low100 Ų100120 Ų12083%0.82680%0.804SS**  trans79.2100.9160.300000118.7
153A40.5Very low47.3Very low101 Ų101117.8 Ų117.884%0.83581%0.812SS**  174.6127.1117.900000111.9
154A39.9Very low46.2Very low95 Ų95118.4 Ų118.479%0.78583%0.826SS**  trans35.8108.9151.900000119.1
155A39.5Very low45Very low103 Ų103118.4 Ų118.485%0.85183%0.826SS**  54.49660.400000115.3
156A41.4Very low44.5Very low97 Ų97116.4 Ų116.480%0.80283%0.827SS**  trans169.1100.2137.600000108.4
157A44.5Very low44.1Very low90 Ų90120.4 Ų120.474%0.74482%0.823SS**  91.6115.184.600000112.3
158T41Very low44.3Very low140 Ų140118.8 Ų118.886%0.85982%0.819SS**  161.6109.8106.9-59.90000108.8
159A45.6Very low44.7Very low86 Ų86120.7 Ų120.771%0.71182%0.819SS**  trans-131.7142.216500000109.4
160S43.7Very low45Very low122 Ų122120.2 Ų120.285%0.85382%0.819SS**  trans71.5110.215131.10000119.5
161I45.3Very low45.4Very low177 Ų177116.8 Ų116.891%0.90881%0.814SS**  trans-89.4125162.9-65.4166000108
162A46.2Very low45.7Very low102 Ų102124.3 Ų124.384%0.84382%0.822SS**  trans179.6128.7145.800000110.5
163G43.5Very low46Very low73 Ų73123.1 Ų123.175%0.75382%0.819SS**  trans140.594.5156.900000117.3
164A52.8Low47.1Very low102 Ų102121.7 Ų121.784%0.84381%0.814SS**  trans60.7137.5141.200000122.2
165P46Very low48.3Very low125 Ų125123.1 Ų123.181%0.81282%0.815SS**  trans-97.7147.4178.237.6-30.3000112.9
166T53.7Low49.7Very low146 Ų146123.9 Ų123.990%0.89681%0.812SS**  trans-145141159.4-61.80000109.6
167Q47.1Very low50.9Low169 Ų169124.7 Ų124.779%0.7981%0.809SS**  trans-77.3171.4-165.2-70.1163.5-69.200115.7
168Y50.3Low51.9Low213 Ų213126.5 Ų126.584%0.83581%0.813SS**  trans107.5145.1160.8-79.2-90.6000116.8
169P54.9Low52.5Low102 Ų102129.2 Ų129.266%0.66282%0.818SS**  -130-176.8-57.139.7-21.9000110.7G171P169-G171 PolarHBondContact O-N 2.83Å
170P49.8Very low52.9Low131 Ų131128 Ų12885%0.85181%0.814SS**  trans-85.7118.2-154.132.8-30.7000114.1
171G50.1Low53Low80 Ų80134.3 Ų134.383%0.82582%0.819SS**  trans-92.7104.3172.800000112.6P169 G173P169-G171 PolarHBondContact O-N 2.83Å; G171-G173 PolarHBondContact O-N 2.87Å
172R46.7Very low53.1Low257 Ų257129.3 Ų129.397%0.9781%0.811SS**  trans-29.2113.8160.7-166.7-177.7-157.7174.24.2114.1
173G44.4Very low53.7Low75 Ų75128.7 Ų128.777%0.77381%0.806SS**  trans-151.3108.5169.200000110.3G171G171-G173 PolarHBondContact O-N 2.87Å
174G62.1Low54.7Low71 Ų71130.6 Ų130.673%0.73281%0.805SS**PPolyproline II helixtrans-71.2172.2-174.600000114.7
175P66.7Low55.1Low124 Ų124131.2 Ų131.281%0.80580%0.801SS**PPolyproline II helixtrans-71.9150.2-171.929.8-33.9000112.3
176P67.1Low55.6Low120 Ų120131.9 Ų131.978%0.77981%0.805SS**PPolyproline II helixtrans-67.4143.5177.728.6-33.4000110.9
177P67.9Low55.8Low114 Ų114128.5 Ų128.574%0.7480%0.8SS**PPolyproline II helixtrans-68.7154.1176.328.5-32.5000111.3M179P177-M179 PolarHBondContact O-N 2.96Å
178P64.7Low56.3Low127 Ų127129.5 Ų129.583%0.82581%0.807SS**PPolyproline II helixtrans-67.5119.7-177.828-32.2000109.7G180P178-G180 PolarHBondContact O-N 3.49Å
179M53.6Low56.6Low197 Ų197128.4 Ų128.497%0.9781%0.811SS**  trans-64.6110177.4-154.2164.4-167.600108.9P177P177-M179 PolarHBondContact O-N 2.96Å
180G53.7Low57Low61 Ų61126 Ų12663%0.62981%0.806SS**  trans-60.5131.7177.100000111.4P178 G182P178-G180 PolarHBondContact O-N 3.49Å; G180-G182 PolarHBondContact O-N 3.14Å
181R47.3Very low57.9Low254 Ų254125.4 Ų125.496%0.95880%0.802SS**  trans8.581.5143.2-151.6172.6-168.2168.41.7113.9A183R181-A183 PolarHBondContact O-N 3.31Å
182G46.5Very low58.6Low72 Ų72126 Ų12674%0.74279%0.791SS**PPolyproline II helixtrans-62.4122.717200000110.4G180G180-G182 PolarHBondContact O-N 3.14Å
183A58.8Low59.6Low90 Ų90120.6 Ų120.674%0.74479%0.789SS**PPolyproline II helixtrans-57.4145.7168.400000110.6R181R181-A183 PolarHBondContact O-N 3.31Å
184P65.1Low60.5Low113 Ų113120.6 Ų120.673%0.73479%0.789SS**PPolyproline II helixtrans-67.2147174.829-32.3000110.1
185P61Low60.5Low115 Ų115125.2 Ų125.275%0.74779%0.794SS**PPolyproline II helixtrans-60139.5-178.823.8-32.6000111.3G187P185-G187 PolarHBondContact O-N 3.5Å
186P56.9Low60.3Low138 Ų138130.8 Ų130.890%0.89680%0.799SS**THydrogen-bonded Turntrans-62.4115.8172.1-16.729.4000109.3
187G57.3Low60.1Low76 Ų76130.5 Ų130.578%0.78480%0.796SS**THydrogen-bonded Turntrans158.1-6.9175.200000118.4P185P185-G187 PolarHBondContact O-N 3.5Å
188M57Low60Low190 Ų190131.2 Ų131.294%0.93680%0.801SS**  trans-10894.6172.3-84.2-174.9161.700110.8G190M188-G190 PolarHBondContact O-N 2.92Å
189M56.9Low59.7Low189 Ų189134 Ų13493%0.93181%0.806SS**  trans-46.9105.9166.3-168.5104.1156.600109.4
190G63Low60.2Low53 Ų53127.2 Ų127.255%0.54679%0.786SS.*PPolyproline II helixtrans-62.914616800000109.7M188M188-G190 PolarHBondContact O-N 2.92Å
191P68.8Low61Low118 Ų118130.2 Ų130.277%0.76679%0.794SS**PPolyproline II helixtrans-61.7138.8179.625.9-32.5000109.9
192P65Low61.5Low93 Ų93124.1 Ų124.160%0.60479%0.788SS**PPolyproline II helixtrans-59141.8-176.320.6-31000111.6G194P192-G194 PolarHBondContact O-N 3.09Å; P192-G194 VanDerWaalsContact O-N 3.08Å
193P67.1Low61.8Low142 Ų142130 Ų13092%0.92280%0.798SS**THydrogen-bonded Turntrans-57.3113.9176.2-22.132.5000110.5
194G63.6Low61.3Low75 Ų75128.6 Ų128.677%0.77379%0.792SS**THydrogen-bonded Turntrans149-15.1176.600000116.6P192P192-G194 PolarHBondContact O-N 3.09Å; P192-G194 VanDerWaalsContact O-N 3.08Å
195M62.7Low60.9Low169 Ų169131.1 Ų131.183%0.83380%0.798SS**  trans-96.998.6177.6-80.2-179165.300111.6P197M195-P197 WeakPolarHBondContact O-CD 3.34Å
196R61.7Low60.4Low241 Ų241130.9 Ų130.991%0.90980%0.796SS**PPolyproline II helixtrans-67.1124.5168.8-67.4174.1103.6-154.67.1109
197P63.6Low60.2Low113 Ų113130.7 Ų130.773%0.73480%0.795SS**PPolyproline II helixtrans-63146.4169-16.829.5000110.3M195 M199M195-P197 WeakPolarHBondContact O-CD 3.34Å; P197-M199 PolarHBondContact O-N 3.24Å
198P66.2Low59.8Low129 Ų129130.1 Ų130.184%0.83879%0.789SS**PPolyproline II helixtrans-61.5127.4176.925.8-31.7000109.9G200P198-G200 PolarHBondContact O-N 3.31Å; P198-G200 VanDerWaalsContact O-N 3.12Å
199M58.7Low59.2Low187 Ų187132.9 Ų132.992%0.92179%0.789SS**  trans-49.7109.1178.1-16781.4172.200110.6P197P197-M199 PolarHBondContact O-N 3.24Å
200G64.5Low58.4Low54 Ų54127.3 Ų127.356%0.55778%0.78SS**PPolyproline II helixtrans-69.3144.416600000110P198P198-G200 PolarHBondContact O-N 3.31Å; P198-G200 VanDerWaalsContact O-N 3.12Å
201P68.9Low57.9Low124 Ų124131.4 Ų131.481%0.80580%0.795SS**PPolyproline II helixtrans-65.9151.2-177.526.9-31.9000111.4
202P58.9Low57Low126 Ų126131.6 Ų131.682%0.81880%0.796SS**PPolyproline II helixtrans-73.1147-163.228.8-33.6000113
203M52.3Low56.2Low195 Ų195136.4 Ų136.496%0.96181%0.812SS**  trans-42.2132.6163.7-142.474.9-134.200111.8
204G49.3Very low55.6Low60 Ų60133.1 Ų133.162%0.61980%0.804SS**  trans161.5122.8156.500000116.4
205I55.5Low55.4Low166 Ų166138.5 Ų138.585%0.85181%0.812SS**  trans110.4118.3145.5-55.2162.1000114.6
206P51.1Low55.4Low111 Ų111134.3 Ų134.372%0.72180%0.797SS**  trans-85.2142-176.635.3-32000110.6G208P206-G208 PolarHBondContact O-N 2.98Å
207P53.2Low55.5Low134 Ų134127.4 Ų127.487%0.8778%0.784SS**  trans-92.888.6167.920.5-5.3000109.1
208G47.6Very low55.2Low63 Ų63128.9 Ų128.965%0.64979%0.793SS**  trans-66.2141.3147.800000109.4P206P206-G208 PolarHBondContact O-N 2.98Å
209R44.7Very low55.1Low248 Ų248126.7 Ų126.794%0.93679%0.794SS**SBendtrans6991.7145.8-153.3172.6-168.3159.11.6116.8
210G39.6Very low55.3Low72 Ų72125 Ų12574%0.74279%0.785SS**  trans73.110213100000116.8
211T53.7Low55.4Low140 Ų140134 Ų13486%0.85980%0.802SS**  trans-138.8139.4150.237.80000110.5
212P48.8Very low55.1Low122 Ų122133 Ų13379%0.79280%0.796SS**  trans-79.6136.7-173.932.8-32.7000111.1
213M48.6Very low55.4Low193 Ų193132 Ų13295%0.95179%0.79SS**SBendtrans4.4121.8143.6-153.1153.5-80.600116.6
214G55.1Low56.1Low73 Ų73127.4 Ų127.475%0.75377%0.774SS**  trans138.215.3144.100000121.1
215M58.8Low56.7Low188 Ų188131.4 Ų131.493%0.92679%0.79SS**PPolyproline II helixtrans-103.1116.5177.2-157.1148.4138.200112.2
216P63.5Low57Low81 Ų81127.2 Ų127.253%0.52679%0.787SS.*PPolyproline II helixtrans-72.5152.4176.929.2-32.4000111.5
217P62.4Low57.4Low97 Ų97129.8 Ų129.863%0.6379%0.792SS**PPolyproline II helixtrans-61.2151-175.47.8-12.4000113.7G219P217-G219 PolarHBondContact O-N 2.93Å
218P58.4Low57.6Low144 Ų144135.3 Ų135.394%0.93580%0.795SS**THydrogen-bonded Turntrans-58.1120.2-179.8-20.331.4000111.2
219G63.4Low58.3Low82 Ų82134.8 Ų134.885%0.84579%0.79SS**THydrogen-bonded Turntrans130.5-15.3-179.900000114.6P217P217-G219 PolarHBondContact O-N 2.93Å
220M63.9Low59.5Low151 Ų151128.7 Ų128.774%0.74478%0.782SS**  trans-104.6107.7171.6-76.4-170.3164.500110.6
221R65.4Low60.7Low243 Ų243129.5 Ų129.592%0.91777%0.774SS**PPolyproline II helixtrans-65.5126.8173.7-143.2175.3177.5-140.20108.3
222P63Low61.2Low104 Ų104127 Ų12768%0.67576%0.76SS**PPolyproline II helixtrans-62.9142.7177.423.4-30.5000110.1
223P66.2Low61.9Low105 Ų105127.9 Ų127.968%0.68277%0.766SS**PPolyproline II helixtrans-62.3147176.725.8-32.7000110.4
224P65.8Low62.6Low98 Ų98122.6 Ų122.664%0.63676%0.761SS**PPolyproline II helixtrans-56.2140.1179.6-22.232.1000111.8G226P224-G226 PolarHBondContact O-N 2.97Å; P224-G226 VanDerWaalsContact O-N 3.1Å
225P61.9Low63.2Low145 Ų145125.8 Ų125.894%0.94276%0.758SS**THydrogen-bonded Turntrans-57.6117.1174.2-20.831.7000110
226G61.4Low63.5Low77 Ų77127.9 Ų127.979%0.79476%0.756SS**THydrogen-bonded Turntrans127.9-12.4175.800000116.1P224P224-G226 PolarHBondContact O-N 2.97Å; P224-G226 VanDerWaalsContact O-N 3.1Å
227M59.9Low63.8Low166 Ų166129 Ų12982%0.81876%0.763SS**  trans-102.584.9172.8-71.8-153.3170.900111.1G229M227-G229 PolarHBondContact O-N 3.1Å
228R57.1Low64.3Low250 Ų250130.6 Ų130.694%0.94377%0.773SS**  trans-63.899.1166.8-168.3174.7-170.3176.32.4107.3
229G63.9Low64.9Low52 Ų52134.7 Ų134.754%0.53677%0.77SS.*PPolyproline II helixtrans-53.3152.4174.700000111.1M227M227-G229 PolarHBondContact O-N 3.1Å
230P68.7Low65.2Low120 Ų120140.3 Ų140.378%0.77979%0.792SS**PPolyproline II helixtrans-56.4143.4-179.424.5-32.9000110
231P64.5Low65.3Low88 Ų88139.8 Ų139.857%0.57179%0.794SS**PPolyproline II helixtrans-57.5144.5178.724.5-33000110
232P65.2Low65.2Low88 Ų88134.4 Ų134.457%0.57179%0.788SS**PPolyproline II helixtrans-55.3144.417621-30.4000110.5G234 M235P232-G234 PolarHBondContact O-N 3.33Å; P232-M235 PolarHBondContact O-N 3.04Å
233P62.2Low65.4Low140 Ų140136.1 Ų136.191%0.90979%0.794SS**THydrogen-bonded Turntrans-52.8116.8-179.6-2432.3000110.6
234G64.7Low65.3Low82 Ų82137.9 Ų137.985%0.84580%0.8SS**THydrogen-bonded Turntrans121.8-8.7178.200000116P232P232-G234 PolarHBondContact O-N 3.33Å
235M67.6Low65.3Low140 Ų140140.4 Ų140.469%0.6981%0.811SS**  trans-101.2100173-74.5-170.3161.300111.2P232P232-M235 PolarHBondContact O-N 3.04Å
236R65.5Low65.5Low233 Ų233140.1 Ų140.188%0.87980%0.802SS**PPolyproline II helixtrans-73.4131.2166.2-77.9-176.7173.1-136.7-1.7109.2
237P69Low65.8Low105 Ų105144.6 Ų144.668%0.68280%0.803SS**PPolyproline II helixtrans-66.7148.1171.527.1-31.8000110.6
238P73.1Confident66.3Low130 Ų130142.9 Ų142.984%0.84480%0.801SS**PPolyproline II helixtrans-64.3138.7173.527.9-32000109.7
239R70.3Confident67Low230 Ų230134 Ų13487%0.86879%0.79SS**PPolyproline II helixtrans-73.5151.5173.8-83-174.3179.8-145.8-1110.3
240P69.7Low67.3Low200 Ų200141.5 Ų141.5100%1.29981%0.813SS**  trans-590-17825-34.1000113.2

Retrieved 240 of 240 residues in 256.6 ms (Link to these results)

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