A0A077ZIU2_TRITR Loading...

Major sperm protein

AlphaFold DB , UniProt , Accession A0A077ZIU2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 166 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
1M62.4Low85.7Confident186 Ų18672.5 Ų72.592%0.91637%0.374SS*.  0131.20-164.4176.2-95.200106.8I6M1-I6 HydrophobicContact CB-CD1 4.31Å; M1-I6 HydrophobicContact CB-CG1 4.48Å; M1-I6 HydrophobicContact CG-CD1 4.4Å; M1-I6 HydrophobicContact CG-CG1 4.03Å; M1-I6 HydrophobicContact SD-CD1 4.49Å; M1-I6 HydrophobicContact SD-CG1 3.85Å
2C79Confident86.6Confident85 Ų8566.8 Ų66.857%0.57435%0.345SS*.  trans-73.8133.6-177.9-62.90000110H4 V5 I6C2-H4 PolarHBondContact O-N 3.23Å; C2-V5 HydrophobicContact CB-CG2 4.45Å; C2-V5 WeakPolarHBondContact O-CB 3.38Å; C2-V5 PolarHBondContact O-N 3.34Å; C2-I6 PolarHBondContact O-N 3.15Å
3D80.6Confident87.3Confident43 Ų4367.5 Ų67.523%0.2335%0.35CS..Hα-helixtrans-52.9-29.9-179-50.7-13.5000113.5V5 I6 L7 V93 R117D3-V5 VanDerWaalsContact C-N 3.27Å; D3-V5 PolarHBondContact O-N 3.42Å; D3-I6 PolarHBondContact O-N 2.84Å; D3-L7 WeakPolarHBondContact O-CB 3.2Å; D3-L7 VanDerWaalsContact O-CG 3.32Å; D3-L7 WeakPolarHBondContact O-CG 3.32Å; D3-L7 PolarHBondContact O-N 3.07Å; D3-V93 HydrophobicContact CB-CB 4.41Å; D3-V93 HydrophobicContact CB-CG2 3.71Å; D3-R117 VanDerWaalsContact CG-NH2 3.33Å; D3-R117 IonicContact OD2-CZ 3.59Å; D3-R117 IonicContact OD2-NE 3.81Å; D3-R117 PolarHBondContact OD2-NE 3.1Å; D3-R117 VanDerWaalsContact OD2-NE 3.15Å; D3-R117 IonicContact OD2-NH2 2.7Å; D3-R117 PolarHBondContact OD2-NH2 2.97Å
4H78.9Confident88Confident112 Ų11266.3 Ų66.352%0.51935%0.348SS..Hα-helixtrans-58.1-38.9175-71.2-63.8000112.9C2 Q8 R117C2-H4 PolarHBondContact O-N 3.23Å; H4-Q8 WeakPolarHBondContact O-CG 3.29Å; H4-R117 PolarHBondContact CD2-NH1 2.81Å; H4-R117 VanDerWaalsContact CE1-CD 3.43Å; H4-R117 WeakPolarHBondContact CE1-CD 3.34Å; H4-R117 PolarHBondContact NE2-NH1 3.22Å
5V86.6Confident88.5Confident74 Ų7466.9 Ų66.945%0.44835%0.352SS..Hα-helixtrans-71.3-45.2178.8-1800000109.5C2 D3 L7 Q8C2-V5 HydrophobicContact CB-CG2 4.45Å; C2-V5 WeakPolarHBondContact O-CB 3.38Å; C2-V5 PolarHBondContact O-N 3.34Å; D3-V5 VanDerWaalsContact C-N 3.27Å; D3-V5 PolarHBondContact O-N 3.42Å; V5-L7 VanDerWaalsContact C-N 3.3Å; V5-L7 PolarHBondContact O-N 2.75Å; V5-Q8 WeakPolarHBondContact O-CB 3.19Å; V5-Q8 PolarHBondContact O-N 3.26Å; V5-Q8 VanDerWaalsContact O-N 3.15Å
6I88.5Confident88.9Confident10 Ų1067.1 Ų67.15%0.05136%0.356CS..Hα-helixtrans-57.4-45.1178.4-61.9168.1000110.6M1 C2 D3 Q8 D9 A37 E39 I41 V93M1-I6 HydrophobicContact CB-CD1 4.31Å; M1-I6 HydrophobicContact CB-CG1 4.48Å; M1-I6 HydrophobicContact CG-CD1 4.4Å; M1-I6 HydrophobicContact CG-CG1 4.03Å; M1-I6 HydrophobicContact SD-CD1 4.49Å; M1-I6 HydrophobicContact SD-CG1 3.85Å; C2-I6 PolarHBondContact O-N 3.15Å; D3-I6 PolarHBondContact O-N 2.84Å; I6-Q8 PolarHBondContact O-N 3.17Å; I6-D9 PolarHBondContact O-N 3.09Å; I6-A37 HydrophobicContact CG2-CB 3.71Å; I6-E39 HydrophobicContact CD1-CG 3.99Å; I6-E39 HydrophobicContact CG1-CG 4.5Å; I6-E39 HydrophobicContact CG2-CB 3.95Å; I6-E39 HydrophobicContact CG2-CG 4.25Å; I6-I41 HydrophobicContact CG2-CD1 3.95Å; I6-V93 HydrophobicContact CB-CG2 4.11Å; I6-V93 HydrophobicContact CD1-CG1 4.42Å; I6-V93 HydrophobicContact CD1-CG2 4.27Å; I6-V93 HydrophobicContact CG2-CG2 3.86Å
7L90.1Very high89.1Confident4 Ų466.8 Ų66.82%0.02135%0.349CS..G310 helixtrans-73.7-9.4-176-70.1166.9000113.5D3 V5 D9 V10 I41 F91 V93 R117 K118D3-L7 WeakPolarHBondContact O-CB 3.2Å; D3-L7 VanDerWaalsContact O-CG 3.32Å; D3-L7 WeakPolarHBondContact O-CG 3.32Å; D3-L7 PolarHBondContact O-N 3.07Å; V5-L7 VanDerWaalsContact C-N 3.3Å; V5-L7 PolarHBondContact O-N 2.75Å; L7-D9 PolarHBondContact O-N 3.39Å; L7-V10 HydrophobicContact CD2-CG2 4.14Å; L7-V10 PolarHBondContact O-N 3.25Å; L7-I41 HydrophobicContact CD2-CD1 3.89Å; L7-I41 HydrophobicContact CD2-CG2 4.22Å; L7-F91 HydrophobicContact CD2-CB 3.89Å; L7-V93 HydrophobicContact CD1-CG2 4.32Å; L7-V93 HydrophobicContact CD2-CG2 4.33Å; L7-V93 HydrophobicContact CG-CG2 4.04Å; L7-R117 HydrophobicContact CD1-CB 3.59Å; L7-R117 HydrophobicContact CD1-CG 4.06Å; L7-K118 HydrophobicContact CB-CB 4.19Å; L7-K118 HydrophobicContact CB-CD 4.32Å; L7-K118 WeakPolarHBondContact O-CD 3.09Å; L7-K118 WeakPolarHBondContact O-CE 3.19Å; L7-K118 PolarHBondContact O-NZ 3.47Å
8Q91.9Very high89.2Confident125 Ų12572.2 Ų72.258%0.58436%0.364SS*.G310 helixtrans-60.8-32.9171.4-72-179.6-7.600111.3H4 V5 I6 V10 F11 K118H4-Q8 WeakPolarHBondContact O-CG 3.29Å; V5-Q8 WeakPolarHBondContact O-CB 3.19Å; V5-Q8 PolarHBondContact O-N 3.26Å; V5-Q8 VanDerWaalsContact O-N 3.15Å; I6-Q8 PolarHBondContact O-N 3.17Å; Q8-V10 PolarHBondContact O-N 3.43Å; Q8-F11 WeakPolarHBondContact O-CZ 3.41Å; Q8-K118 PolarHBondContact O-NZ 3.41Å; Q8-K118 VanDerWaalsContact O-NZ 3.1Å
9D94.3Very high89.2Confident75 Ų7568.5 Ų68.540%0.40135%0.345SS..G310 helixtrans-86.416.7-177-62.8-35.2000113.9I6 L7 K36 A37I6-D9 PolarHBondContact O-N 3.09Å; L7-D9 PolarHBondContact O-N 3.39Å; D9-K36 HydrophobicContact CB-CB 4.09Å; D9-K36 WeakPolarHBondContact O-CA 3.17Å; D9-K36 WeakPolarHBondContact O-CB 3.36Å; D9-K36 PolarHBondContact O-N 2.7Å; D9-A37 HydrophobicContact CB-CB 4.1Å
10V94.8Very high89Confident0 Ų074.2 Ų74.20%036%0.362CS..EExtended strand (participates in β ladder)trans-117133.8178.6-174.80000111L7 Q8 D34 I41 F91 K118 F120L7-V10 HydrophobicContact CD2-CG2 4.14Å; L7-V10 PolarHBondContact O-N 3.25Å; Q8-V10 PolarHBondContact O-N 3.43Å; V10-D34 CarbonylContact C-O 3.5Å; V10-D34 VanDerWaalsContact CA-O 3.26Å; V10-D34 WeakPolarHBondContact CA-O 3.32Å; V10-D34 WeakPolarHBondContact CG1-O 3.5Å; V10-I41 HydrophobicContact CG1-CG2 4.35Å; V10-I41 HydrophobicContact CG2-CD1 4.28Å; V10-I41 HydrophobicContact CG2-CG1 3.81Å; V10-I41 HydrophobicContact CG2-CG2 4.29Å; V10-F91 HydrophobicContact CG1-CB 4.41Å; V10-F91 HydrophobicContact CG1-CD1 3.58Å; V10-F91 HydrophobicContact CG1-CD2 3.76Å; V10-F91 HydrophobicContact CG1-CE1 3.52Å; V10-F91 HydrophobicContact CG1-CE2 3.71Å; V10-F91 HydrophobicContact CG1-CG 3.67Å; V10-F91 HydrophobicContact CG1-CZ 3.57Å; V10-K118 WeakPolarHBondContact O-CE 3.09Å; V10-K118 PolarHBondContact O-NZ 3Å; V10-F120 WeakPolarHBondContact O-CZ 3.47Å
11F95.7Very high88.6Confident83 Ų8371.3 Ų71.336%0.36435%0.35SS..EExtended strand (participates in β ladder)trans-136.2157-175.5-53.6-86.7000112.3Q8 L33 D34 K36 F120Q8-F11 WeakPolarHBondContact O-CZ 3.41Å; F11-L33 WeakPolarHBondContact O-CA 3.48Å; F11-D34 PolarHBondContact N-O 2.99Å; F11-D34 PolarHBondContact O-N 2.93Å; F11-K36 HydrophobicContact CE2-CD 4.48Å; F11-F120 HydrophobicContact CD1-CZ 4.32Å
12A96.6Very high89.3Confident4 Ų463.6 Ų63.63%0.03331%0.313CS..EExtended strand (participates in β ladder)trans-136.4132.6169.600000110L15 I31 H32 L33 V89 F91 F120A12-L15 WeakPolarHBondContact O-CD2 3.41Å; A12-I31 HydrophobicContact CB-CG2 4.11Å; A12-H32 VanDerWaalsContact CA-O 3.23Å; A12-H32 WeakPolarHBondContact CA-O 3.34Å; A12-L33 HydrophobicContact CB-CD2 3.76Å; A12-V89 HydrophobicContact CB-CB 4.48Å; A12-V89 HydrophobicContact CB-CG1 4.49Å; A12-V89 HydrophobicContact CB-CG2 4.42Å; A12-F91 HydrophobicContact CB-CE2 4.2Å; A12-F91 HydrophobicContact CB-CZ 4.37Å; A12-F120 HydrophobicContact CB-CB 3.97Å; A12-F120 HydrophobicContact CB-CD2 3.99Å; A12-F120 HydrophobicContact CB-CG 3.96Å
13D96.2Very high89.3Confident77 Ų7766.5 Ų66.541%0.41232%0.323SS..EExtended strand (participates in β ladder)trans-152.3158-177.468.1-45.7000112.1I31 H32D13-I31 CarbonylContact O-C 3.58Å; D13-I31 WeakPolarHBondContact O-CA 3.39Å; D13-H32 PolarHBondContact N-O 2.94Å; D13-H32 PolarHBondContact O-N 3.46Å; D13-H32 VanDerWaalsContact OD1-CB 3.29Å; D13-H32 WeakPolarHBondContact OD1-CB 3.31Å; D13-H32 IonicContact OD1-CG 3.15Å; D13-H32 IonicContact OD1-ND1 3.19Å; D13-H32 PolarHBondContact OD1-ND1 3.22Å; D13-H32 VanDerWaalsContact OD1-ND1 3.12Å
14P96.2Very high89.3Confident50 Ų5066.6 Ų66.633%0.32534%0.335SS..  cis-70.9152.5-11.832.8-35.4000111.3V16 W17 V122P14-V16 VanDerWaalsContact C-N 3.31Å; P14-W17 HydrophobicContact CG-CD2 4.15Å; P14-W17 HydrophobicContact CG-CH2 4.07Å; P14-W17 HydrophobicContact CG-CZ2 3.34Å; P14-V122 WeakPolarHBondContact O-CG1 3.41Å
15L95.3Very high89.6Confident76 Ų7668.1 Ų68.140%0.39834%0.342SS..SBendtrans-82-10.5177.8-61.7-178.3000113.5A12 F120 V122 Q123A12-L15 WeakPolarHBondContact O-CD2 3.41Å; L15-F120 HydrophobicContact CD1-CD1 4.43Å; L15-F120 HydrophobicContact CD2-CB 3.93Å; L15-F120 HydrophobicContact CD2-CD1 3.87Å; L15-F120 HydrophobicContact CD2-CG 4.32Å; L15-V122 HydrophobicContact CD2-CG2 4.31Å; L15-V122 CarbonylContact O-C 3.54Å; L15-V122 WeakPolarHBondContact O-CA 3.36Å; L15-Q123 PolarHBondContact O-N 3.07Å
16V94.9Very high89.8Confident69 Ų6970.8 Ų70.842%0.41835%0.345SS..EExtended strand (participates in β ladder)trans-139.1129.3-178.7-177.10000110P14 Q123 L125P14-V16 VanDerWaalsContact C-N 3.31Å; V16-Q123 CarbonylContact C-O 3.48Å; V16-Q123 WeakPolarHBondContact CA-O 2.87Å; V16-L125 HydrophobicContact CG1-CD1 3.67Å; V16-L125 HydrophobicContact CG1-CG 4.1Å
17W93.4Very high89.9Confident62 Ų6272.4 Ų72.424%0.23535%0.351CS..EExtended strand (participates in β ladder)trans-116.3125.5168.7-75.5103.3000109.4P14 L19 K29 R30 Q123 F124 L125P14-W17 HydrophobicContact CG-CD2 4.15Å; P14-W17 HydrophobicContact CG-CH2 4.07Å; P14-W17 HydrophobicContact CG-CZ2 3.34Å; W17-L19 HydrophobicContact CB-CD2 4.41Å; W17-K29 HydrophobicContact CD2-CB 4.04Å; W17-K29 HydrophobicContact CD2-CD 3.76Å; W17-K29 HydrophobicContact CD2-CG 3.82Å; W17-K29 HydrophobicContact CE3-CD 3.55Å; W17-K29 HydrophobicContact CE3-CG 4.14Å; W17-K29 HydrophobicContact CG-CB 4.27Å; W17-K29 HydrophobicContact CG-CD 4.41Å; W17-K29 HydrophobicContact CG-CG 4Å; W17-K29 HydrophobicContact CH2-CD 4.23Å; W17-K29 HydrophobicContact CZ2-CB 4.26Å; W17-K29 HydrophobicContact CZ2-CD 4.4Å; W17-K29 HydrophobicContact CZ3-CD 3.81Å; W17-R30 WeakPolarHBondContact CZ2-O 3.43Å; W17-Q123 PolarHBondContact N-O 2.61Å; W17-F124 HydrophobicContact CB-CD1 3.64Å; W17-F124 HydrophobicContact CB-CE1 3.93Å; W17-F124 AromaticContact CD1-CE1 3.48Å; W17-F124 VanDerWaalsContact CD1-CE1 3.48Å; W17-F124 HydrophobicContact CG-CD1 4.09Å; W17-F124 AromaticContact CG-CE1 3.85Å; W17-F124 HydrophobicContact CG-CE1 3.85Å; W17-F124 WeakPolarHBondContact O-CA 3.4Å; W17-L125 PolarHBondContact O-N 3.23Å
18R90Very high90.1Very high165 Ų16576.8 Ų76.862%0.62338%0.377SS*.EExtended strand (participates in β ladder)trans-94.8127.2169.4-70.8165177.2-102.86.3109L125 E127R18-L125 CarbonylContact C-O 3.57Å; R18-L125 WeakPolarHBondContact CA-O 3.42Å; R18-E127 HydrophobicContact CB-CG 4.37Å; R18-E127 VanDerWaalsContact CD-OE1 3.23Å; R18-E127 WeakPolarHBondContact CD-OE1 3.49Å; R18-E127 WeakPolarHBondContact CG-OE1 3.47Å; R18-E127 IonicContact CZ-OE1 3.72Å; R18-E127 IonicContact NE-OE1 3.87Å; R18-E127 IonicContact NH1-OE1 2.77Å; R18-E127 PolarHBondContact NH1-OE1 2.81Å
19L88.8Confident90.3Very high1 Ų173 Ų731%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-122132.2-174-57.1-176.4000109.2W17 Y27 K29 V74 F77 F124 L125 Y126 E127W17-L19 HydrophobicContact CB-CD2 4.41Å; L19-Y27 HydrophobicContact CB-CD2 4.12Å; L19-Y27 HydrophobicContact CB-CE2 3.72Å; L19-Y27 HydrophobicContact CD1-CD2 3.83Å; L19-Y27 HydrophobicContact CD1-CE2 4.29Å; L19-Y27 HydrophobicContact CD1-CG 4.3Å; L19-Y27 HydrophobicContact CD2-CD1 4.01Å; L19-Y27 HydrophobicContact CD2-CD2 3.99Å; L19-Y27 HydrophobicContact CD2-CE1 4.27Å; L19-Y27 HydrophobicContact CD2-CE2 4.22Å; L19-Y27 HydrophobicContact CD2-CG 3.84Å; L19-Y27 HydrophobicContact CG-CD2 4.21Å; L19-Y27 HydrophobicContact CG-CE2 4.29Å; L19-K29 HydrophobicContact CD2-CD 4.37Å; L19-K29 HydrophobicContact CD2-CG 4.29Å; L19-V74 HydrophobicContact CD1-CB 4.25Å; L19-V74 HydrophobicContact CD1-CG1 3.78Å; L19-F77 HydrophobicContact CB-CE1 4.37Å; L19-F124 HydrophobicContact CD1-CB 4.04Å; L19-F124 HydrophobicContact CD1-CD1 4.06Å; L19-F124 HydrophobicContact CD1-CG 4.5Å; L19-L125 PolarHBondContact N-O 3.35Å; L19-Y126 HydrophobicContact CB-CD1 4.04Å; L19-Y126 HydrophobicContact CD1-CD1 4.1Å; L19-Y126 HydrophobicContact CD1-CE1 3.82Å; L19-Y126 CarbonylContact O-C 3.56Å; L19-Y126 WeakPolarHBondContact O-CA 3.41Å; L19-E127 PolarHBondContact O-N 3.31Å
20R85.2Confident90.4Very high182 Ų18276.5 Ų76.569%0.68737%0.366SS*.  trans-92.2165.6176.1-65.9-175.8179177.50.1110.4Y27 F77R20-Y27 VanDerWaalsContact C-OH 3.32Å; R20-Y27 PolarHBondContact N-OH 3.39Å; R20-Y27 WeakPolarHBondContact O-CE2 3.38Å; R20-Y27 PolarHBondContact O-OH 3.22Å; R20-F77 WeakPolarHBondContact O-CE1 3.24Å; R20-F77 WeakPolarHBondContact O-CZ 3.41Å
21S80.6Confident90.5Very high15 Ų1576.5 Ų76.511%0.10537%0.366CS..  trans-58144.1174.3-179.40000110.7F77 E129S21-F77 VanDerWaalsContact N-CZ 3.27Å; S21-F77 PolarHBondContact OG-O 3.25Å; S21-E129 WeakPolarHBondContact CB-OE1 2.75Å
22T78.4Confident90.6Very high24 Ų2473.7 Ų73.715%0.14735%0.354CS..  trans-131.513.5-177.352.60000113.9G24 Q25 Y27 G76 F77T22-G24 PolarHBondContact O-N 3.45Å; T22-Q25 WeakPolarHBondContact CB-O 3.42Å; T22-Q25 PolarHBondContact O-N 3.49Å; T22-Q25 PolarHBondContact OG1-O 3.08Å; T22-Y27 HydrophobicContact CG2-CD2 4.18Å; T22-Y27 HydrophobicContact CG2-CE1 3.88Å; T22-Y27 HydrophobicContact CG2-CE2 3.3Å; T22-Y27 WeakPolarHBondContact CG2-OH 3.47Å; T22-G76 WeakPolarHBondContact OG1-CA 3.44Å; T22-F77 PolarHBondContact N-O 3.01Å
23N78.6Confident90.7Very high145 Ų14573.5 Ų73.578%0.77535%0.353SS*.THydrogen-bonded Turntrans48.238.7-175.6-64.2-19.4000112.2
24G80Confident90.7Very high46 Ų4671.2 Ų71.247%0.47434%0.34SS..THydrogen-bonded Turntrans91.5-7179.300000116.3T22T22-G24 PolarHBondContact O-N 3.45Å
25Q86.3Confident90.8Very high144 Ų14468.8 Ų68.867%0.67333%0.325SS*.PPolyproline II helixtrans-70142.6176.7-59.3-176.8-16.900112.1T22 G76T22-Q25 WeakPolarHBondContact CB-O 3.42Å; T22-Q25 PolarHBondContact O-N 3.49Å; T22-Q25 PolarHBondContact OG1-O 3.08Å; Q25-G76 WeakPolarHBondContact O-CA 3.48Å; Q25-G76 PolarHBondContact O-N 3.43Å
26Y89.2Confident90.9Very high130 Ų13071 Ų7151%0.5133%0.331SS..PPolyproline II helixtrans-71.7146.6178.4-66.9-87000112.3F54 K73 V74Y26-F54 HydrophobicContact CE1-CE2 4.37Å; Y26-K73 HydrophobicContact CD1-CD 4.1Å; Y26-K73 HydrophobicContact CD1-CG 3.81Å; Y26-K73 HydrophobicContact CG-CD 4.3Å; Y26-K73 HydrophobicContact CG-CG 4.15Å; Y26-V74 CarbonylContact C-O 3.54Å; Y26-V74 WeakPolarHBondContact CA-O 3.38Å
27Y91.5Very high90.9Very high44 Ų4467.8 Ų67.817%0.17331%0.312CS..EExtended strand (participates in β ladder)trans-90.9145.3161.2-74.9-72.7000110.9L19 R20 T22 K73 V74 F77L19-Y27 HydrophobicContact CB-CD2 4.12Å; L19-Y27 HydrophobicContact CB-CE2 3.72Å; L19-Y27 HydrophobicContact CD1-CD2 3.83Å; L19-Y27 HydrophobicContact CD1-CE2 4.29Å; L19-Y27 HydrophobicContact CD1-CG 4.3Å; L19-Y27 HydrophobicContact CD2-CD1 4.01Å; L19-Y27 HydrophobicContact CD2-CD2 3.99Å; L19-Y27 HydrophobicContact CD2-CE1 4.27Å; L19-Y27 HydrophobicContact CD2-CE2 4.22Å; L19-Y27 HydrophobicContact CD2-CG 3.84Å; L19-Y27 HydrophobicContact CG-CD2 4.21Å; L19-Y27 HydrophobicContact CG-CE2 4.29Å; R20-Y27 VanDerWaalsContact C-OH 3.32Å; R20-Y27 PolarHBondContact N-OH 3.39Å; R20-Y27 WeakPolarHBondContact O-CE2 3.38Å; R20-Y27 PolarHBondContact O-OH 3.22Å; T22-Y27 HydrophobicContact CG2-CD2 4.18Å; T22-Y27 HydrophobicContact CG2-CE1 3.88Å; T22-Y27 HydrophobicContact CG2-CE2 3.3Å; T22-Y27 WeakPolarHBondContact CG2-OH 3.47Å; Y27-K73 CarbonylContact O-C 3.46Å; Y27-K73 VanDerWaalsContact O-CA 3.26Å; Y27-K73 WeakPolarHBondContact O-CA 3.44Å; Y27-V74 PolarHBondContact N-O 3.31Å; Y27-V74 PolarHBondContact O-N 3.29Å; Y27-F77 HydrophobicContact CE2-CE1 4.43Å
28V94.1Very high90.9Very high95 Ų9573 Ų7358%0.57634%0.336SS*.EExtended strand (participates in β ladder)trans-118.7112.6163.7-177.80000107.7R71V28-R71 HydrophobicContact CG1-CB 4.48Å
29K95.6Very high91.1Very high45 Ų4567.3 Ų67.320%0.19632%0.317CS..EExtended strand (participates in β ladder)trans-109.5160.6175.3-62.1-53.4-170.7176.50110.2W17 L19 R71 V72 F124W17-K29 HydrophobicContact CD2-CB 4.04Å; W17-K29 HydrophobicContact CD2-CD 3.76Å; W17-K29 HydrophobicContact CD2-CG 3.82Å; W17-K29 HydrophobicContact CE3-CD 3.55Å; W17-K29 HydrophobicContact CE3-CG 4.14Å; W17-K29 HydrophobicContact CG-CB 4.27Å; W17-K29 HydrophobicContact CG-CD 4.41Å; W17-K29 HydrophobicContact CG-CG 4Å; W17-K29 HydrophobicContact CH2-CD 4.23Å; W17-K29 HydrophobicContact CZ2-CB 4.26Å; W17-K29 HydrophobicContact CZ2-CD 4.4Å; W17-K29 HydrophobicContact CZ3-CD 3.81Å; L19-K29 HydrophobicContact CD2-CD 4.37Å; L19-K29 HydrophobicContact CD2-CG 4.29Å; K29-R71 CarbonylContact O-C 3.58Å; K29-R71 WeakPolarHBondContact O-CA 3.41Å; K29-V72 PolarHBondContact N-O 3.26Å; K29-V72 PolarHBondContact O-N 2.91Å; K29-F124 HydrophobicContact CB-CE1 3.99Å; K29-F124 HydrophobicContact CG-CE1 4.01Å
30R96.9Very high91.4Very high150 Ų15069.1 Ų69.157%0.56633%0.329SS*.EExtended strand (participates in β ladder)trans-119.2139.6176.4-63.7-176.9179.7-174-0.7108.8W17 Y69 V70 R71W17-R30 WeakPolarHBondContact CZ2-O 3.43Å; R30-Y69 HydrophobicContact CB-CD1 3.9Å; R30-V70 CarbonylContact C-O 3.54Å; R30-V70 VanDerWaalsContact CA-O 3.29Å; R30-V70 WeakPolarHBondContact CA-O 3.1Å; R30-R71 HydrophobicContact CG-CG 4.48Å
31I97.4Very high91.8Very high0 Ų060.4 Ų60.40%030%0.297CS..EExtended strand (participates in β ladder)trans-111.5123.2167.5-54.9164.5000105A12 D13 L33 Y69 V70 V72 V87 V89 V122A12-I31 HydrophobicContact CB-CG2 4.11Å; D13-I31 CarbonylContact O-C 3.58Å; D13-I31 WeakPolarHBondContact O-CA 3.39Å; I31-L33 HydrophobicContact CG2-CD2 3.82Å; I31-Y69 WeakPolarHBondContact O-CA 3.26Å; I31-V70 HydrophobicContact CB-CG2 3.72Å; I31-V70 HydrophobicContact CD1-CG2 4.41Å; I31-V70 HydrophobicContact CG1-CG2 4.48Å; I31-V70 PolarHBondContact N-O 2.95Å; I31-V70 PolarHBondContact O-N 2.84Å; I31-V72 HydrophobicContact CD1-CG2 3.51Å; I31-V72 HydrophobicContact CG1-CG2 4.08Å; I31-V87 HydrophobicContact CD1-CG1 4.39Å; I31-V89 HydrophobicContact CD1-CG2 4.41Å; I31-V122 HydrophobicContact CD1-CB 3.96Å; I31-V122 HydrophobicContact CD1-CG1 4.01Å; I31-V122 HydrophobicContact CD1-CG2 3.73Å; I31-V122 HydrophobicContact CG1-CB 4.49Å; I31-V122 HydrophobicContact CG1-CG1 4.12Å; I31-V122 HydrophobicContact CG1-CG2 4.1Å; I31-V122 HydrophobicContact CG2-CG2 4.05Å
32H97.9Very high92.5Very high23 Ų2359.7 Ų59.711%0.10629%0.292CS..EExtended strand (participates in β ladder)trans-78131.1169.3178.2-119.4000108.2A12 D13 Q67 Y69A12-H32 VanDerWaalsContact CA-O 3.23Å; A12-H32 WeakPolarHBondContact CA-O 3.34Å; D13-H32 PolarHBondContact N-O 2.94Å; D13-H32 PolarHBondContact O-N 3.46Å; D13-H32 VanDerWaalsContact OD1-CB 3.29Å; D13-H32 WeakPolarHBondContact OD1-CB 3.31Å; D13-H32 IonicContact OD1-CG 3.15Å; D13-H32 IonicContact OD1-ND1 3.19Å; D13-H32 PolarHBondContact OD1-ND1 3.22Å; D13-H32 VanDerWaalsContact OD1-ND1 3.12Å; H32-Q67 PolarHBondContact NE2-OE1 2.98Å; H32-Y69 HydrophobicContact CB-CD1 3.92Å; H32-Y69 HydrophobicContact CB-CE1 3.55Å; H32-Y69 AromaticContact CD2-CZ 3.78Å
33L98.1Very high93.3Very high0 Ų058.6 Ų58.60%029%0.285CS..EExtended strand (participates in β ladder)trans-116.2125.9174-50.1-175.9000106.6F11 A12 I31 F43 L62 Q67 R68 V70 V89 F91F11-L33 WeakPolarHBondContact O-CA 3.48Å; A12-L33 HydrophobicContact CB-CD2 3.76Å; I31-L33 HydrophobicContact CG2-CD2 3.82Å; L33-F43 HydrophobicContact CD1-CB 4.35Å; L33-F43 HydrophobicContact CD1-CD1 3.84Å; L33-F43 HydrophobicContact CD1-CD2 3.97Å; L33-F43 HydrophobicContact CD1-CE1 4.02Å; L33-F43 HydrophobicContact CD1-CE2 4.14Å; L33-F43 HydrophobicContact CD1-CG 3.79Å; L33-F43 HydrophobicContact CD1-CZ 4.15Å; L33-L62 HydrophobicContact CB-CD1 3.86Å; L33-Q67 CarbonylContact O-C 3.54Å; L33-Q67 VanDerWaalsContact O-CA 3.26Å; L33-Q67 WeakPolarHBondContact O-CA 2.87Å; L33-R68 PolarHBondContact N-O 3.07Å; L33-R68 PolarHBondContact O-N 2.84Å; L33-V70 HydrophobicContact CD1-CG1 3.58Å; L33-V70 HydrophobicContact CD1-CG2 4.14Å; L33-V70 HydrophobicContact CD2-CG2 4.31Å; L33-V70 HydrophobicContact CG-CG1 4.22Å; L33-V70 HydrophobicContact CG-CG2 4.16Å; L33-V89 HydrophobicContact CD2-CG1 3.84Å; L33-V89 HydrophobicContact CD2-CG2 4.42Å; L33-F91 HydrophobicContact CB-CZ 4.36Å; L33-F91 HydrophobicContact CD2-CZ 4.01Å
34D97.5Very high94Very high29 Ų2954.6 Ų54.616%0.15526%0.259CS..EExtended strand (participates in β ladder)trans-123.2124.8-176.8-168.4-1.2000109.5V10 F11 K36V10-D34 CarbonylContact C-O 3.5Å; V10-D34 VanDerWaalsContact CA-O 3.26Å; V10-D34 WeakPolarHBondContact CA-O 3.32Å; V10-D34 WeakPolarHBondContact CG1-O 3.5Å; F11-D34 PolarHBondContact N-O 2.99Å; F11-D34 PolarHBondContact O-N 2.93Å; D34-K36 WeakPolarHBondContact OD2-CE 3.48Å; D34-K36 IonicContact OD2-NZ 3.65Å
35N97.5Very high94.8Very high0 Ų052.4 Ų52.40%024%0.237CC..EExtended strand (participates in β ladder)trans-11296.3172.7178.225.2000109.2A37 E39 I41 L62 P63 E65 S66N35-A37 VanDerWaalsContact C-N 3.29Å; N35-A37 VanDerWaalsContact OD1-CB 3.23Å; N35-A37 WeakPolarHBondContact OD1-CB 3.24Å; N35-A37 PolarHBondContact OD1-N 3.15Å; N35-A37 VanDerWaalsContact OD1-N 3.07Å; N35-E39 PolarHBondContact ND2-O 3.47Å; N35-I41 HydrophobicContact CB-CG1 4.47Å; N35-I41 WeakPolarHBondContact ND2-CG1 3.42Å; N35-I41 WeakPolarHBondContact OD1-CG1 3.46Å; N35-L62 HydrophobicContact CB-CB 3.81Å; N35-L62 HydrophobicContact CB-CD1 4.11Å; N35-L62 PolarHBondContact ND2-O 2.96Å; N35-P63 PolarHBondContact ND2-O 3.44Å; N35-E65 CarbonylContact O-C 3.53Å; N35-E65 WeakPolarHBondContact O-CA 3.26Å; N35-E65 PolarHBondContact O-N 3.24Å; N35-E65 VanDerWaalsContact O-N 3.1Å; N35-S66 WeakPolarHBondContact CA-O 3.29Å; N35-S66 WeakPolarHBondContact CB-O 3.23Å; N35-S66 PolarHBondContact N-O 2.78Å; N35-S66 PolarHBondContact O-N 3.01Å
36K96.6Very high95.1Very high121 Ų12149.8 Ų49.853%0.52622%0.224SC..  trans-87.50.2173.2-56.7-175-177-178.50112.8D9 F11 D34D9-K36 HydrophobicContact CB-CB 4.09Å; D9-K36 WeakPolarHBondContact O-CA 3.17Å; D9-K36 WeakPolarHBondContact O-CB 3.36Å; D9-K36 PolarHBondContact O-N 2.7Å; F11-K36 HydrophobicContact CE2-CD 4.48Å; D34-K36 WeakPolarHBondContact OD2-CE 3.48Å; D34-K36 IonicContact OD2-NZ 3.65Å
37A94.9Very high95.4Very high2 Ų244 Ų442%0.01720%0.202CC..SBendtrans-76156.717800000111.2I6 D9 N35 E39 P64 E65I6-A37 HydrophobicContact CG2-CB 3.71Å; D9-A37 HydrophobicContact CB-CB 4.1Å; N35-A37 VanDerWaalsContact C-N 3.29Å; N35-A37 VanDerWaalsContact OD1-CB 3.23Å; N35-A37 WeakPolarHBondContact OD1-CB 3.24Å; N35-A37 PolarHBondContact OD1-N 3.15Å; N35-A37 VanDerWaalsContact OD1-N 3.07Å; A37-E39 PolarHBondContact O-N 2.63Å; A37-P64 WeakPolarHBondContact O-CA 3.5Å; A37-E65 PolarHBondContact O-N 3.09Å; A37-E65 VanDerWaalsContact O-N 3.15Å
38K94.7Very high95.4Very high171 Ų17143.8 Ų43.874%0.74321%0.207SC*.SBendtrans-809.7174.9-62.8-174176.9-175.50114
39E93.4Very high95.2Very high47 Ų4741.4 Ų41.422%0.2219%0.191CC..SBendtrans-125.4154-176.1-64.2-74.8174.600109.2I6 N35 A37 V93 K96I6-E39 HydrophobicContact CD1-CG 3.99Å; I6-E39 HydrophobicContact CG1-CG 4.5Å; I6-E39 HydrophobicContact CG2-CB 3.95Å; I6-E39 HydrophobicContact CG2-CG 4.25Å; N35-E39 PolarHBondContact ND2-O 3.47Å; A37-E39 PolarHBondContact O-N 2.63Å; E39-V93 HydrophobicContact CB-CG1 4.44Å; E39-K96 WeakPolarHBondContact OE1-CE 3.42Å; E39-K96 IonicContact OE1-NZ 2.75Å; E39-K96 PolarHBondContact OE1-NZ 2.91Å; E39-K96 WeakPolarHBondContact OE2-CE 3.39Å; E39-K96 IonicContact OE2-NZ 3.55Å
40S94.3Very high94.9Very high38 Ų3844.5 Ų44.527%0.26621%0.214SC..  trans-73.3135175.1-67.40000110.3L62 V94S40-L62 WeakPolarHBondContact CA-O 3.41Å; S40-V94 WeakPolarHBondContact O-CB 3.18Å; S40-V94 WeakPolarHBondContact O-CG2 3.31Å; S40-V94 PolarHBondContact O-N 3.2Å
41I94.8Very high94.5Very high0 Ų041.3 Ų41.30%022%0.215CC..EExtended strand (participates in β ladder)trans-118.1131.4-178.2-58.2-59.3000109.2I6 L7 V10 N35 I61 L62 F91 A92 V93I6-I41 HydrophobicContact CG2-CD1 3.95Å; L7-I41 HydrophobicContact CD2-CD1 3.89Å; L7-I41 HydrophobicContact CD2-CG2 4.22Å; V10-I41 HydrophobicContact CG1-CG2 4.35Å; V10-I41 HydrophobicContact CG2-CD1 4.28Å; V10-I41 HydrophobicContact CG2-CG1 3.81Å; V10-I41 HydrophobicContact CG2-CG2 4.29Å; N35-I41 HydrophobicContact CB-CG1 4.47Å; N35-I41 WeakPolarHBondContact ND2-CG1 3.42Å; N35-I41 WeakPolarHBondContact OD1-CG1 3.46Å; I41-I61 CarbonylContact O-C 3.51Å; I41-I61 WeakPolarHBondContact O-CA 3.43Å; I41-L62 PolarHBondContact N-O 3.28Å; I41-L62 PolarHBondContact O-N 3Å; I41-F91 HydrophobicContact CG2-CB 4.04Å; I41-F91 HydrophobicContact CG2-CD1 3.64Å; I41-F91 HydrophobicContact CG2-CG 4.26Å; I41-A92 WeakPolarHBondContact CA-O 3.32Å; I41-A92 WeakPolarHBondContact CG2-O 3.17Å; I41-V93 HydrophobicContact CD1-CB 4.38Å; I41-V93 HydrophobicContact CD1-CG2 3.89Å
42T94.8Very high94.2Very high0 Ų043.6 Ų43.60%022%0.224CC..EExtended strand (participates in β ladder)trans-95.8145.4170.2-173.30000110.1G60 F91 A92 V94 L106 W107 L114T42-G60 CarbonylContact C-O 3.56Å; T42-G60 WeakPolarHBondContact CA-O 3.19Å; T42-G60 PolarHBondContact OG1-O 3.43Å; T42-F91 WeakPolarHBondContact O-CA 2.99Å; T42-A92 HydrophobicContact CG2-CB 3.94Å; T42-A92 PolarHBondContact N-O 3.35Å; T42-A92 PolarHBondContact O-N 3.03Å; T42-V94 HydrophobicContact CG2-CG2 4.37Å; T42-L106 HydrophobicContact CG2-CD1 4.43Å; T42-W107 HydrophobicContact CG2-CZ2 3.93Å; T42-W107 PolarHBondContact OG1-NE1 2.93Å; T42-L114 HydrophobicContact CG2-CD1 3.63Å; T42-L114 HydrophobicContact CG2-CD2 4.16Å
43F95.3Very high93.9Very high0 Ų042.6 Ų42.60%022%0.219CC..EExtended strand (participates in β ladder)trans-122.8152.7176.667.7-99000112L33 L45 P57 Y59 G60 L62 V70 A90 F91 W107L33-F43 HydrophobicContact CD1-CB 4.35Å; L33-F43 HydrophobicContact CD1-CD1 3.84Å; L33-F43 HydrophobicContact CD1-CD2 3.97Å; L33-F43 HydrophobicContact CD1-CE1 4.02Å; L33-F43 HydrophobicContact CD1-CE2 4.14Å; L33-F43 HydrophobicContact CD1-CG 3.79Å; L33-F43 HydrophobicContact CD1-CZ 4.15Å; F43-L45 HydrophobicContact CD2-CD1 3.31Å; F43-L45 HydrophobicContact CE2-CD1 3.66Å; F43-L45 HydrophobicContact CG-CD1 4.42Å; F43-P57 HydrophobicContact CE2-CG 4.23Å; F43-P57 HydrophobicContact CZ-CG 4Å; F43-Y59 VanDerWaalsContact CE2-C 3.45Å; F43-Y59 WeakPolarHBondContact O-CA 3.31Å; F43-Y59 WeakPolarHBondContact O-CB 3.36Å; F43-G60 VanDerWaalsContact CD1-O 3.31Å; F43-G60 WeakPolarHBondContact CD1-O 2.99Å; F43-G60 VanDerWaalsContact CE1-C 3.45Å; F43-G60 VanDerWaalsContact CE1-CA 3.45Å; F43-G60 VanDerWaalsContact CZ-CA 3.46Å; F43-G60 PolarHBondContact N-O 2.88Å; F43-G60 PolarHBondContact O-N 3.3Å; F43-L62 HydrophobicContact CD1-CD1 4.3Å; F43-L62 HydrophobicContact CD1-CD2 4.45Å; F43-L62 HydrophobicContact CD1-CG 3.97Å; F43-L62 HydrophobicContact CE1-CD2 4.24Å; F43-L62 HydrophobicContact CE1-CG 4.22Å; F43-V70 HydrophobicContact CE2-CG1 3.87Å; F43-V70 HydrophobicContact CZ-CG1 3.88Å; F43-A90 CarbonylContact C-O 3.58Å; F43-A90 WeakPolarHBondContact CA-O 3.48Å; F43-F91 HydrophobicContact CB-CD1 3.79Å; F43-F91 HydrophobicContact CB-CE1 3.79Å; F43-W107 PolarHBondContact O-NE1 2.86Å
44Y94.3Very high93.8Very high62 Ų6246.6 Ų46.624%0.24324%0.237CC..EExtended strand (participates in β ladder)trans-139.2134.1171.3174.6-102.8000110.9H46 K58 A90 W107Y44-H46 HydrophobicContact CD1-CB 4.43Å; Y44-H46 HydrophobicContact CE1-CB 3.88Å; Y44-K58 CarbonylContact C-O 3.43Å; Y44-K58 WeakPolarHBondContact CA-O 3.01Å; Y44-K58 HydrophobicContact CD2-CG 4.33Å; Y44-K58 HydrophobicContact CE2-CD 3.94Å; Y44-K58 HydrophobicContact CE2-CG 4Å; Y44-K58 VanDerWaalsContact CZ-CE 3.48Å; Y44-K58 WeakPolarHBondContact OH-CE 3.39Å; Y44-K58 PolarHBondContact OH-NZ 3.37Å; Y44-A90 PolarHBondContact N-O 2.83Å; Y44-A90 PolarHBondContact O-N 3.15Å; Y44-W107 VanDerWaalsContact CB-CZ2 3.5Å; Y44-W107 HydrophobicContact CG-CD2 4.3Å; Y44-W107 HydrophobicContact CG-CE3 4.41Å
45L95.5Very high93.7Very high0 Ų046.1 Ų46.10%024%0.236CC..EExtended strand (participates in β ladder)trans-106.7123.2179.9-76.575.1000109.7F43 P55 K58 V70 V87 V88 V89F43-L45 HydrophobicContact CD2-CD1 3.31Å; F43-L45 HydrophobicContact CE2-CD1 3.66Å; F43-L45 HydrophobicContact CG-CD1 4.42Å; L45-P55 HydrophobicContact CB-CB 3.64Å; L45-P55 HydrophobicContact CB-CG 3.85Å; L45-P55 HydrophobicContact CD2-CB 3.44Å; L45-P55 VanDerWaalsContact CD2-CB 3.44Å; L45-P55 HydrophobicContact CG-CB 4.16Å; L45-K58 PolarHBondContact N-O 2.93Å; L45-K58 WeakPolarHBondContact O-CE 2.99Å; L45-K58 VanDerWaalsContact O-CG 3.24Å; L45-K58 WeakPolarHBondContact O-CG 3.45Å; L45-V70 HydrophobicContact CD2-CB 4.18Å; L45-V70 HydrophobicContact CD2-CG2 3.65Å; L45-V87 HydrophobicContact CB-CG1 3.96Å; L45-V87 HydrophobicContact CD2-CG1 3.92Å; L45-V87 HydrophobicContact CG-CG1 3.96Å; L45-V88 WeakPolarHBondContact CA-O 3.38Å; L45-V89 HydrophobicContact CG-CG2 4.34Å
46H93.3Very high93.7Very high89 Ų8953.4 Ų53.441%0.41226%0.264SS..EExtended strand (participates in β ladder)trans-117.6131.9174.1177.173.4000110.2Y44 V87 V88Y44-H46 HydrophobicContact CD1-CB 4.43Å; Y44-H46 HydrophobicContact CE1-CB 3.88Å; H46-V87 CarbonylContact O-C 3.54Å; H46-V87 VanDerWaalsContact O-CA 3.26Å; H46-V87 WeakPolarHBondContact O-CA 3.3Å; H46-V88 HydrophobicContact CB-CB 4.47Å; H46-V88 PolarHBondContact N-O 2.8Å; H46-V88 PolarHBondContact O-N 3.1Å
47S94.5Very high93.7Very high7 Ų748.7 Ų48.75%0.04925%0.246CC..EExtended strand (participates in β ladder)trans-102.5142.7179.9-61.70000111.6N49 V53 P55 Y86S47-N49 PolarHBondContact O-N 3.25Å; S47-V53 WeakPolarHBondContact CB-O 3.48Å; S47-V53 PolarHBondContact OG-O 3.01Å; S47-P55 WeakPolarHBondContact OG-CD 3.22Å; S47-P55 VanDerWaalsContact OG-CG 3.31Å; S47-P55 WeakPolarHBondContact OG-CG 3.26Å; S47-Y86 WeakPolarHBondContact CA-O 3.45Å
48S91.9Very high93.7Very high40 Ų4053.1 Ų53.128%0.2827%0.265SS..SBendtrans-57-35.9170.550.20000113.3E85 Y86S48-E85 WeakPolarHBondContact OG-CA 3.43Å; S48-E85 PolarHBondContact OG-OE2 3.19Å; S48-Y86 VanDerWaalsContact CB-CE1 3.42Å; S48-Y86 PolarHBondContact N-O 2.87Å; S48-Y86 PolarHBondContact OG-N 2.76Å; S48-Y86 PolarHBondContact OG-O 3.15Å
49N90Very high93.7Very high45 Ų4550.2 Ų50.224%0.24125%0.25CC..  trans-141103-177.3-173.1-11.6000110.9S47 S51 R52 V53 E85S47-N49 PolarHBondContact O-N 3.25Å; N49-S51 PolarHBondContact O-N 2.87Å; N49-S51 WeakPolarHBondContact OD1-CB 3.49Å; N49-S51 PolarHBondContact OD1-N 3.15Å; N49-S51 VanDerWaalsContact OD1-N 3.07Å; N49-S51 PolarHBondContact OD1-OG 2.93Å; N49-R52 PolarHBondContact O-N 3.3Å; N49-V53 PolarHBondContact O-N 2.9Å; N49-E85 VanDerWaalsContact CB-CD 3.45Å; N49-E85 VanDerWaalsContact CB-OE1 3.31Å; N49-E85 WeakPolarHBondContact CB-OE1 3.4Å; N49-E85 WeakPolarHBondContact CB-OE2 3.26Å; N49-E85 PolarHBondContact ND2-OE1 2.86Å
50T89.1Confident93.8Very high110 Ų11048.3 Ų48.368%0.67524%0.243SC*.THydrogen-bonded Turntrans-68.9-12.3-178.653.60000113.9F54T50-F54 WeakPolarHBondContact O-CE1 3.36Å
51S89.4Confident93.8Very high84 Ų8448.6 Ų48.659%0.58724%0.241SC*.THydrogen-bonded Turntrans-85.1-13.7175.272.60000113.4N49 F54N49-S51 PolarHBondContact O-N 2.87Å; N49-S51 WeakPolarHBondContact OD1-CB 3.49Å; N49-S51 PolarHBondContact OD1-N 3.15Å; N49-S51 VanDerWaalsContact OD1-N 3.07Å; N49-S51 PolarHBondContact OD1-OG 2.93Å; S51-F54 VanDerWaalsContact C-CZ 3.44Å; S51-F54 WeakPolarHBondContact O-CZ 3.47Å
52R89.7Confident93.9Very high47 Ų4748.7 Ų48.718%0.17724%0.241CC..THydrogen-bonded Turntrans-128.3-30.5-175.1-63.6-175.870.9-161.45113.4N49 F54 V74 G75 G76 C83 E85N49-R52 PolarHBondContact O-N 3.3Å; R52-F54 VanDerWaalsContact C-CE2 3.48Å; R52-F54 WeakPolarHBondContact O-CE2 3.46Å; R52-V74 CarbonylContact O-C 3.5Å; R52-V74 WeakPolarHBondContact O-CA 3.36Å; R52-G75 PolarHBondContact O-N 2.89Å; R52-G76 PolarHBondContact NH2-O 3.33Å; R52-C83 PolarHBondContact NH1-SG 2.73Å; R52-E85 IonicContact NH1-OE1 3.12Å
53V93.1Very high94Very high2 Ų252.1 Ų52.11%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-116.8116.2-174.8-1770000109.5S47 N49 P55 V72 K73 V74 E85 V87S47-V53 WeakPolarHBondContact CB-O 3.48Å; S47-V53 PolarHBondContact OG-O 3.01Å; N49-V53 PolarHBondContact O-N 2.9Å; V53-P55 WeakPolarHBondContact O-CD 3.42Å; V53-V72 HydrophobicContact CG1-CG1 3.54Å; V53-K73 WeakPolarHBondContact CA-O 3.47Å; V53-V74 HydrophobicContact CG1-CG2 4.48Å; V53-V74 HydrophobicContact CG2-CG1 4.25Å; V53-E85 HydrophobicContact CG2-CB 3.63Å; V53-E85 HydrophobicContact CG2-CG 3.91Å; V53-V87 HydrophobicContact CG1-CG2 3.48Å; V53-V87 VanDerWaalsContact CG1-CG2 3.48Å
54F95Very high94Very high84 Ų8454.9 Ų54.937%0.36828%0.282SS..EExtended strand (participates in β ladder)trans-122.889.8-171.9-49.2-87.9000110Y26 T50 S51 R52 K73Y26-F54 HydrophobicContact CE1-CE2 4.37Å; T50-F54 WeakPolarHBondContact O-CE1 3.36Å; S51-F54 VanDerWaalsContact C-CZ 3.44Å; S51-F54 WeakPolarHBondContact O-CZ 3.47Å; R52-F54 VanDerWaalsContact C-CE2 3.48Å; R52-F54 WeakPolarHBondContact O-CE2 3.46Å; F54-K73 HydrophobicContact CB-CB 4.22Å; F54-K73 HydrophobicContact CD2-CB 4.45Å; F54-K73 PolarHBondContact N-O 3.34Å; F54-K73 PolarHBondContact O-N 2.86Å
55P96.3Very high94.1Very high20 Ų2058.7 Ų58.713%0.1330%0.302CS..EExtended strand (participates in β ladder)trans-73.8136.9173.128.4-33.1000110.5L45 S47 V53 R71 V72 V87L45-P55 HydrophobicContact CB-CB 3.64Å; L45-P55 HydrophobicContact CB-CG 3.85Å; L45-P55 HydrophobicContact CD2-CB 3.44Å; L45-P55 VanDerWaalsContact CD2-CB 3.44Å; L45-P55 HydrophobicContact CG-CB 4.16Å; S47-P55 WeakPolarHBondContact OG-CD 3.22Å; S47-P55 VanDerWaalsContact OG-CG 3.31Å; S47-P55 WeakPolarHBondContact OG-CG 3.26Å; V53-P55 WeakPolarHBondContact O-CD 3.42Å; P55-R71 CarbonylContact C-O 3.5Å; P55-R71 WeakPolarHBondContact CA-O 3.23Å; P55-V72 HydrophobicContact CB-CG2 4.34Å; P55-V87 HydrophobicContact CB-CG1 4.41Å
56Y96.3Very high94.2Very high153 Ų15360 Ų6060%0.631%0.311SS*.EExtended strand (participates in β ladder)trans-147130.9178-174.5-89.5000112.2R71Y56-R71 PolarHBondContact N-O 2.84Å; Y56-R71 PolarHBondContact O-N 2.76Å
57P96.6Very high94.4Very high22 Ų2262 Ų6214%0.14332%0.32CS..SBendcis-66.1152-8.630.9-37.9000111.5F43 Y59 V70F43-P57 HydrophobicContact CE2-CG 4.23Å; F43-P57 HydrophobicContact CZ-CG 4Å; P57-Y59 VanDerWaalsContact C-N 3.29Å; P57-V70 HydrophobicContact CG-CG1 4.3Å
58K94.7Very high94.5Very high94 Ų9466.9 Ų66.941%0.40934%0.338SS..SBendtrans-72.4-26.7178.5-166.2-178.4-178.3-167.90112.2Y44 L45Y44-K58 CarbonylContact C-O 3.43Å; Y44-K58 WeakPolarHBondContact CA-O 3.01Å; Y44-K58 HydrophobicContact CD2-CG 4.33Å; Y44-K58 HydrophobicContact CE2-CD 3.94Å; Y44-K58 HydrophobicContact CE2-CG 4Å; Y44-K58 VanDerWaalsContact CZ-CE 3.48Å; Y44-K58 WeakPolarHBondContact OH-CE 3.39Å; Y44-K58 PolarHBondContact OH-NZ 3.37Å; L45-K58 PolarHBondContact N-O 2.93Å; L45-K58 WeakPolarHBondContact O-CE 2.99Å; L45-K58 VanDerWaalsContact O-CG 3.24Å; L45-K58 WeakPolarHBondContact O-CG 3.45Å
59Y94.4Very high94.8Very high110 Ų11070.9 Ų70.943%0.43135%0.347SS..EExtended strand (participates in β ladder)trans-147.3159.9177.445.1-106000109.8F43 P57 A103F43-Y59 VanDerWaalsContact CE2-C 3.45Å; F43-Y59 WeakPolarHBondContact O-CA 3.31Å; F43-Y59 WeakPolarHBondContact O-CB 3.36Å; P57-Y59 VanDerWaalsContact C-N 3.29Å; Y59-A103 HydrophobicContact CD2-CB 3.81Å; Y59-A103 HydrophobicContact CG-CB 4.48Å
60G96Very high95.1Very high7 Ų768.7 Ų68.77%0.07234%0.336CS..EExtended strand (participates in β ladder)trans-177.2177.1176.900000111.3T42 F43T42-G60 CarbonylContact C-O 3.56Å; T42-G60 WeakPolarHBondContact CA-O 3.19Å; T42-G60 PolarHBondContact OG1-O 3.43Å; F43-G60 VanDerWaalsContact CD1-O 3.31Å; F43-G60 WeakPolarHBondContact CD1-O 2.99Å; F43-G60 VanDerWaalsContact CE1-C 3.45Å; F43-G60 VanDerWaalsContact CE1-CA 3.45Å; F43-G60 VanDerWaalsContact CZ-CA 3.46Å; F43-G60 PolarHBondContact N-O 2.88Å; F43-G60 PolarHBondContact O-N 3.3Å
61I95.2Very high95.5Very high45 Ų4570 Ų7023%0.23133%0.328CS..EExtended strand (participates in β ladder)trans-117.5136.8175.5-65.3159.4000107.8I41 V94 Y100 A103 L106I41-I61 CarbonylContact O-C 3.51Å; I41-I61 WeakPolarHBondContact O-CA 3.43Å; I61-V94 HydrophobicContact CG1-CG2 4.38Å; I61-V94 HydrophobicContact CG2-CG2 4.25Å; I61-Y100 HydrophobicContact CD1-CD2 4.07Å; I61-Y100 HydrophobicContact CD1-CE2 3.24Å; I61-A103 HydrophobicContact CD1-CB 4.29Å; I61-A103 HydrophobicContact CG1-CB 4.05Å; I61-L106 HydrophobicContact CD1-CD1 3.8Å; I61-L106 HydrophobicContact CG1-CD1 4.12Å
62L96.3Very high95.8Very high2 Ų266 Ų661%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-103.4113.5168.5-61.6172000106.9L33 N35 S40 I41 F43 R68 F91L33-L62 HydrophobicContact CB-CD1 3.86Å; N35-L62 HydrophobicContact CB-CB 3.81Å; N35-L62 HydrophobicContact CB-CD1 4.11Å; N35-L62 PolarHBondContact ND2-O 2.96Å; S40-L62 WeakPolarHBondContact CA-O 3.41Å; I41-L62 PolarHBondContact N-O 3.28Å; I41-L62 PolarHBondContact O-N 3Å; F43-L62 HydrophobicContact CD1-CD1 4.3Å; F43-L62 HydrophobicContact CD1-CD2 4.45Å; F43-L62 HydrophobicContact CD1-CG 3.97Å; F43-L62 HydrophobicContact CE1-CD2 4.24Å; F43-L62 HydrophobicContact CE1-CG 4.22Å; L62-R68 HydrophobicContact CD2-CB 3.47Å; L62-R68 VanDerWaalsContact CD2-CB 3.47Å; L62-F91 HydrophobicContact CD1-CE1 4.04Å
63P96.3Very high96.1Very high72 Ų7268 Ų6847%0.46831%0.311SS..  trans-52.6163.1167.2-26.334.3000112.3N35 S66N35-P63 PolarHBondContact ND2-O 3.44Å; P63-S66 VanDerWaalsContact CD-OG 3.24Å; P63-S66 WeakPolarHBondContact CD-OG 3.39Å; P63-S66 VanDerWaalsContact N-OG 3.17Å; P63-S66 WeakPolarHBondContact O-CB 3.29Å; P63-S66 PolarHBondContact O-OG 2.84Å
64P96.7Very high96.1Very high58 Ų5868 Ų6838%0.37731%0.31SS..THydrogen-bonded Turntrans-52.8142.2170.9-23.434.8000111.2A37 S66A37-P64 WeakPolarHBondContact O-CA 3.5Å; P64-S66 PolarHBondContact O-N 2.88Å
65E96.5Very high95.7Very high142 Ų14264.2 Ų64.266%0.66430%0.295SS*.THydrogen-bonded Turntrans52.840.5174.7-58178.9170.900113.2N35 A37N35-E65 CarbonylContact O-C 3.53Å; N35-E65 WeakPolarHBondContact O-CA 3.26Å; N35-E65 PolarHBondContact O-N 3.24Å; N35-E65 VanDerWaalsContact O-N 3.1Å; A37-E65 PolarHBondContact O-N 3.09Å; A37-E65 VanDerWaalsContact O-N 3.15Å
66S97.6Very high95.1Very high28 Ų2864 Ų6420%0.19630%0.296CS..EExtended strand (participates in β ladder)trans-129.6161.2-176.278.70000112.6N35 P63 P64N35-S66 WeakPolarHBondContact CA-O 3.29Å; N35-S66 WeakPolarHBondContact CB-O 3.23Å; N35-S66 PolarHBondContact N-O 2.78Å; N35-S66 PolarHBondContact O-N 3.01Å; P63-S66 VanDerWaalsContact CD-OG 3.24Å; P63-S66 WeakPolarHBondContact CD-OG 3.39Å; P63-S66 VanDerWaalsContact N-OG 3.17Å; P63-S66 WeakPolarHBondContact O-CB 3.29Å; P63-S66 PolarHBondContact O-OG 2.84Å; P64-S66 PolarHBondContact O-N 2.88Å
67Q97Very high94.3Very high129 Ų12957.2 Ų57.260%0.60327%0.27SS*.EExtended strand (participates in β ladder)trans-134.6154.9-178.256.4179.4-19.800111.2H32 L33H32-Q67 PolarHBondContact NE2-OE1 2.98Å; L33-Q67 CarbonylContact O-C 3.54Å; L33-Q67 VanDerWaalsContact O-CA 3.26Å; L33-Q67 WeakPolarHBondContact O-CA 2.87Å
68R96.9Very high93.2Very high110 Ų11059.4 Ų59.442%0.41529%0.286SS..EExtended strand (participates in β ladder)trans-150.9144.1177.2-169.2174-176.1161.85.5111.8L33 L62L33-R68 PolarHBondContact N-O 3.07Å; L33-R68 PolarHBondContact O-N 2.84Å; L62-R68 HydrophobicContact CD2-CB 3.47Å; L62-R68 VanDerWaalsContact CD2-CB 3.47Å
69Y97.2Very high92Very high124 Ų12456.9 Ų56.949%0.48628%0.283SS..EExtended strand (participates in β ladder)trans-91.6131.5163.9-71.7-81.8000111.3R30 I31 H32R30-Y69 HydrophobicContact CB-CD1 3.9Å; I31-Y69 WeakPolarHBondContact O-CA 3.26Å; H32-Y69 HydrophobicContact CB-CD1 3.92Å; H32-Y69 HydrophobicContact CB-CE1 3.55Å; H32-Y69 AromaticContact CD2-CZ 3.78Å
70V97.2Very high90.6Very high0 Ų057.2 Ų57.20%030%0.298CS..EExtended strand (participates in β ladder)trans-106.7140.1166.4-60.20000109.3R30 I31 L33 F43 L45 P57R30-V70 CarbonylContact C-O 3.54Å; R30-V70 VanDerWaalsContact CA-O 3.29Å; R30-V70 WeakPolarHBondContact CA-O 3.1Å; I31-V70 HydrophobicContact CB-CG2 3.72Å; I31-V70 HydrophobicContact CD1-CG2 4.41Å; I31-V70 HydrophobicContact CG1-CG2 4.48Å; I31-V70 PolarHBondContact N-O 2.95Å; I31-V70 PolarHBondContact O-N 2.84Å; L33-V70 HydrophobicContact CD1-CG1 3.58Å; L33-V70 HydrophobicContact CD1-CG2 4.14Å; L33-V70 HydrophobicContact CD2-CG2 4.31Å; L33-V70 HydrophobicContact CG-CG1 4.22Å; L33-V70 HydrophobicContact CG-CG2 4.16Å; F43-V70 HydrophobicContact CE2-CG1 3.87Å; F43-V70 HydrophobicContact CZ-CG1 3.88Å; L45-V70 HydrophobicContact CD2-CB 4.18Å; L45-V70 HydrophobicContact CD2-CG2 3.65Å; P57-V70 HydrophobicContact CG-CG1 4.3Å
71R97.2Very high89Confident136 Ų13660.7 Ų60.751%0.51332%0.318SS..EExtended strand (participates in β ladder)trans-92.3141.5-179.9-64.8-177.2-65.7-170.5-0.8109.4V28 K29 R30 P55 Y56V28-R71 HydrophobicContact CG1-CB 4.48Å; K29-R71 CarbonylContact O-C 3.58Å; K29-R71 WeakPolarHBondContact O-CA 3.41Å; R30-R71 HydrophobicContact CG-CG 4.48Å; P55-R71 CarbonylContact C-O 3.5Å; P55-R71 WeakPolarHBondContact CA-O 3.23Å; Y56-R71 PolarHBondContact N-O 2.84Å; Y56-R71 PolarHBondContact O-N 2.76Å
72V96.6Very high87.3Confident0 Ų063.8 Ų63.80%034%0.341CS..EExtended strand (participates in β ladder)trans-123.3113169.9-172.30000107.9K29 I31 V53 P55 V74 V87 F124K29-V72 PolarHBondContact N-O 3.26Å; K29-V72 PolarHBondContact O-N 2.91Å; I31-V72 HydrophobicContact CD1-CG2 3.51Å; I31-V72 HydrophobicContact CG1-CG2 4.08Å; V53-V72 HydrophobicContact CG1-CG1 3.54Å; P55-V72 HydrophobicContact CB-CG2 4.34Å; V72-V74 HydrophobicContact CG1-CG2 3.86Å; V72-V87 HydrophobicContact CG1-CG2 3.92Å; V72-V87 HydrophobicContact CG2-CG2 4.34Å; V72-F124 HydrophobicContact CB-CZ 3.89Å; V72-F124 HydrophobicContact CG1-CE1 4.41Å; V72-F124 HydrophobicContact CG1-CE2 4.06Å; V72-F124 HydrophobicContact CG1-CZ 3.66Å; V72-F124 HydrophobicContact CG2-CZ 4.19Å
73K95.1Very high86.1Confident91 Ų9165.4 Ų65.440%0.39635%0.352SS..EExtended strand (participates in β ladder)trans-83.9123.2169.6-175.6-179.7-179.4-1790108Y26 Y27 V53 F54Y26-K73 HydrophobicContact CD1-CD 4.1Å; Y26-K73 HydrophobicContact CD1-CG 3.81Å; Y26-K73 HydrophobicContact CG-CD 4.3Å; Y26-K73 HydrophobicContact CG-CG 4.15Å; Y27-K73 CarbonylContact O-C 3.46Å; Y27-K73 VanDerWaalsContact O-CA 3.26Å; Y27-K73 WeakPolarHBondContact O-CA 3.44Å; V53-K73 WeakPolarHBondContact CA-O 3.47Å; F54-K73 HydrophobicContact CB-CB 4.22Å; F54-K73 HydrophobicContact CD2-CB 4.45Å; F54-K73 PolarHBondContact N-O 3.34Å; F54-K73 PolarHBondContact O-N 2.86Å
74V92.2Very high85.5Confident0 Ų067.5 Ų67.50%035%0.354CS..EExtended strand (participates in β ladder)trans-116.6128-179.2-177.60000108.4L19 Y26 Y27 R52 V53 V72 F124 Y126L19-V74 HydrophobicContact CD1-CB 4.25Å; L19-V74 HydrophobicContact CD1-CG1 3.78Å; Y26-V74 CarbonylContact C-O 3.54Å; Y26-V74 WeakPolarHBondContact CA-O 3.38Å; Y27-V74 PolarHBondContact N-O 3.31Å; Y27-V74 PolarHBondContact O-N 3.29Å; R52-V74 CarbonylContact O-C 3.5Å; R52-V74 WeakPolarHBondContact O-CA 3.36Å; V53-V74 HydrophobicContact CG1-CG2 4.48Å; V53-V74 HydrophobicContact CG2-CG1 4.25Å; V72-V74 HydrophobicContact CG1-CG2 3.86Å; V74-F124 HydrophobicContact CG2-CD1 3.68Å; V74-F124 HydrophobicContact CG2-CD2 4.43Å; V74-F124 HydrophobicContact CG2-CE1 3.7Å; V74-F124 HydrophobicContact CG2-CE2 4.47Å; V74-F124 HydrophobicContact CG2-CG 4.06Å; V74-F124 HydrophobicContact CG2-CZ 4.12Å; V74-Y126 HydrophobicContact CG1-CE1 4.11Å; V74-Y126 WeakPolarHBondContact CG1-OH 3.44Å
75G88.2Confident85.1Confident6 Ų665.4 Ų65.46%0.06234%0.339CS..  trans-54.9138.2177.600000110.7R52R52-G75 PolarHBondContact O-N 2.89Å
76G83.4Confident85Confident14 Ų1463 Ų6314%0.14432%0.324CS..  trans-58.1165.417000000111.6T22 Q25 R52T22-G76 WeakPolarHBondContact OG1-CA 3.44Å; Q25-G76 WeakPolarHBondContact O-CA 3.48Å; Q25-G76 PolarHBondContact O-N 3.43Å; R52-G76 PolarHBondContact NH2-O 3.33Å
77F79.5Confident84.9Confident12 Ų1261.6 Ų61.65%0.05332%0.315CS..  trans-143.4155.5172.372.8-71.8000108.8L19 R20 S21 T22 Y27 Y126L19-F77 HydrophobicContact CB-CE1 4.37Å; R20-F77 WeakPolarHBondContact O-CE1 3.24Å; R20-F77 WeakPolarHBondContact O-CZ 3.41Å; S21-F77 VanDerWaalsContact N-CZ 3.27Å; S21-F77 PolarHBondContact OG-O 3.25Å; T22-F77 PolarHBondContact N-O 3.01Å; Y27-F77 HydrophobicContact CE2-CE1 4.43Å; F77-Y126 HydrophobicContact CB-CD1 4.48Å; F77-Y126 AromaticContact CD1-CD1 3.16Å; F77-Y126 HydrophobicContact CD1-CD1 3.16Å; F77-Y126 AromaticContact CD1-CE1 3.61Å; F77-Y126 HydrophobicContact CD1-CE1 3.61Å; F77-Y126 HydrophobicContact CD1-CG 4.11Å; F77-Y126 HydrophobicContact CD2-CD1 4.29Å; F77-Y126 AromaticContact CE1-CD1 3.2Å; F77-Y126 HydrophobicContact CE1-CD1 3.2Å; F77-Y126 HydrophobicContact CE1-CE1 4.04Å; F77-Y126 HydrophobicContact CE1-CG 4.02Å; F77-Y126 HydrophobicContact CE2-CD1 4.32Å; F77-Y126 HydrophobicContact CE2-CG 4.45Å; F77-Y126 AromaticContact CG-CD1 3.74Å; F77-Y126 HydrophobicContact CG-CD1 3.74Å; F77-Y126 HydrophobicContact CG-CE1 4.2Å; F77-Y126 HydrophobicContact CG-CG 4.36Å; F77-Y126 AromaticContact CZ-CD1 3.81Å; F77-Y126 HydrophobicContact CZ-CD1 3.81Å; F77-Y126 HydrophobicContact CZ-CG 4.17Å
78S73.4Confident84.9Confident68 Ų6857 Ų5748%0.47630%0.295SS..  trans-106.2136.8164.450.60000107.9T81S78-T81 PolarHBondContact O-N 3.17Å
79A68.5Low84.9Confident41 Ų4151.7 Ų51.734%0.33928%0.276SS..THydrogen-bonded Turntrans-54.8150.2162.800000109.6
80P66.4Low84.7Confident117 Ų11746.3 Ų46.376%0.7626%0.256SS*.THydrogen-bonded Turncis-101.628.111.740.9-36.7000112.8P82P80-P82 WeakPolarHBondContact O-CD 3.09Å
81T61.2Low84.6Confident79 Ų7946.3 Ų46.349%0.48526%0.256SS..  trans-83.795.5-174.1-380000110.6S78 C83S78-T81 PolarHBondContact O-N 3.17Å; T81-C83 PolarHBondContact O-N 2.8Å
82P59.1Low84.4Confident110 Ų11039.8 Ų39.871%0.71423%0.232SC*.  trans-65.3114.4167.230.2-35.3000106.6P80P80-P82 WeakPolarHBondContact O-CD 3.09Å
83C71.2Confident84.2Confident37 Ų3740.6 Ų40.625%0.2524%0.237CC..  trans-102.5164.3162.1-67.10000107.8R52 T81 Y126R52-C83 PolarHBondContact NH1-SG 2.73Å; T81-C83 PolarHBondContact O-N 2.8Å; C83-Y126 VanDerWaalsContact C-CD2 3.49Å; C83-Y126 HydrophobicContact CB-CD2 3.71Å; C83-Y126 HydrophobicContact CB-CE2 3.63Å; C83-Y126 WeakPolarHBondContact O-CD2 3.12Å
84K83.5Confident84Confident116 Ų11636.7 Ų36.750%0.50422%0.221SC..EExtended strand (participates in β ladder)trans-129.9123.4158.8176.7177.2-179.9177.80104.7Q123 L125K84-Q123 VanDerWaalsContact CE-CD 3.42Å; K84-Q123 VanDerWaalsContact NZ-CD 3.3Å; K84-Q123 VanDerWaalsContact NZ-NE2 3.16Å; K84-L125 HydrophobicContact CD-CD2 4.16Å; K84-L125 HydrophobicContact CG-CD2 4.04Å
85E90.4Very high83.8Confident14 Ų1438.1 Ų38.17%0.06523%0.23CC..EExtended strand (participates in β ladder)trans-117.4157.1173.7-62-74.6-173.800108.4S48 N49 R52 V53 F124 Y126S48-E85 WeakPolarHBondContact OG-CA 3.43Å; S48-E85 PolarHBondContact OG-OE2 3.19Å; N49-E85 VanDerWaalsContact CB-CD 3.45Å; N49-E85 VanDerWaalsContact CB-OE1 3.31Å; N49-E85 WeakPolarHBondContact CB-OE1 3.4Å; N49-E85 WeakPolarHBondContact CB-OE2 3.26Å; N49-E85 PolarHBondContact ND2-OE1 2.86Å; R52-E85 IonicContact NH1-OE1 3.12Å; V53-E85 HydrophobicContact CG2-CB 3.63Å; V53-E85 HydrophobicContact CG2-CG 3.91Å; E85-F124 HydrophobicContact CB-CB 4.38Å; E85-F124 PolarHBondContact N-O 2.82Å; E85-F124 PolarHBondContact O-N 3.01Å; E85-Y126 HydrophobicContact CB-CE2 4.16Å; E85-Y126 HydrophobicContact CG-CE2 3.71Å; E85-Y126 WeakPolarHBondContact CG-OH 3.23Å
86Y94Very high83.7Confident90 Ų9045.6 Ų45.635%0.35326%0.261SS..EExtended strand (participates in β ladder)trans-144.4156.7177.961.4-99.4000112.1S47 S48 V88 T121 V122S47-Y86 WeakPolarHBondContact CA-O 3.45Å; S48-Y86 VanDerWaalsContact CB-CE1 3.42Å; S48-Y86 PolarHBondContact N-O 2.87Å; S48-Y86 PolarHBondContact OG-N 2.76Å; S48-Y86 PolarHBondContact OG-O 3.15Å; Y86-V88 HydrophobicContact CD2-CG2 3.86Å; Y86-V88 HydrophobicContact CE2-CG2 3.88Å; Y86-T121 HydrophobicContact CD2-CG2 4.28Å; Y86-T121 HydrophobicContact CG-CG2 4.15Å; Y86-V122 CarbonylContact C-O 3.56Å; Y86-V122 WeakPolarHBondContact CA-O 3.33Å; Y86-V122 WeakPolarHBondContact CB-O 3.36Å
87V95.6Very high83.7Confident0 Ų051.1 Ų51.10%029%0.287CS..EExtended strand (participates in β ladder)trans-118.4124.5164.2173.20000108I31 L45 H46 V53 P55 V72 V89 V122 F124I31-V87 HydrophobicContact CD1-CG1 4.39Å; L45-V87 HydrophobicContact CB-CG1 3.96Å; L45-V87 HydrophobicContact CD2-CG1 3.92Å; L45-V87 HydrophobicContact CG-CG1 3.96Å; H46-V87 CarbonylContact O-C 3.54Å; H46-V87 VanDerWaalsContact O-CA 3.26Å; H46-V87 WeakPolarHBondContact O-CA 3.3Å; V53-V87 HydrophobicContact CG1-CG2 3.48Å; V53-V87 VanDerWaalsContact CG1-CG2 3.48Å; P55-V87 HydrophobicContact CB-CG1 4.41Å; V72-V87 HydrophobicContact CG1-CG2 3.92Å; V72-V87 HydrophobicContact CG2-CG2 4.34Å; V87-V89 HydrophobicContact CG1-CG2 4.43Å; V87-V122 PolarHBondContact N-O 2.93Å; V87-V122 PolarHBondContact O-N 3.23Å; V87-F124 HydrophobicContact CB-CE2 4.33Å; V87-F124 HydrophobicContact CG2-CE2 3.89Å
88V95.8Very high83.8Confident31 Ų3151.3 Ų51.319%0.18829%0.291CS..EExtended strand (participates in β ladder)trans-87.4121.3167.2-178.90000108L45 H46 Y86 T119 F120L45-V88 WeakPolarHBondContact CA-O 3.38Å; H46-V88 HydrophobicContact CB-CB 4.47Å; H46-V88 PolarHBondContact N-O 2.8Å; H46-V88 PolarHBondContact O-N 3.1Å; Y86-V88 HydrophobicContact CD2-CG2 3.86Å; Y86-V88 HydrophobicContact CE2-CG2 3.88Å; V88-T119 HydrophobicContact CG1-CG2 4.18Å; V88-F120 CarbonylContact C-O 3.52Å; V88-F120 WeakPolarHBondContact CA-O 3.38Å
89V96.6Very high84.3Confident0 Ų053.7 Ų53.70%030%0.298CS..EExtended strand (participates in β ladder)trans-95.9110.6169-173.30000107.4A12 I31 L33 L45 V87 F91 T119 F120 V122A12-V89 HydrophobicContact CB-CB 4.48Å; A12-V89 HydrophobicContact CB-CG1 4.49Å; A12-V89 HydrophobicContact CB-CG2 4.42Å; I31-V89 HydrophobicContact CD1-CG2 4.41Å; L33-V89 HydrophobicContact CD2-CG1 3.84Å; L33-V89 HydrophobicContact CD2-CG2 4.42Å; L45-V89 HydrophobicContact CG-CG2 4.34Å; V87-V89 HydrophobicContact CG1-CG2 4.43Å; V89-F91 HydrophobicContact CB-CE2 4.49Å; V89-F91 HydrophobicContact CG1-CD2 4.27Å; V89-F91 HydrophobicContact CG1-CE1 4.2Å; V89-F91 HydrophobicContact CG1-CE2 3.67Å; V89-F91 HydrophobicContact CG1-CZ 3.66Å; V89-T119 CarbonylContact O-C 3.51Å; V89-T119 WeakPolarHBondContact O-CA 3.47Å; V89-F120 HydrophobicContact CB-CB 4.48Å; V89-F120 PolarHBondContact N-O 3.35Å; V89-F120 PolarHBondContact O-N 3.07Å; V89-V122 HydrophobicContact CG2-CG2 4.38Å
90A94.2Very high84.9Confident10 Ų1055.4 Ų55.48%0.08330%0.296CS..EExtended strand (participates in β ladder)trans-97.9135.5175.600000110.3F43 Y44 W107 V116 T119F43-A90 CarbonylContact C-O 3.58Å; F43-A90 WeakPolarHBondContact CA-O 3.48Å; Y44-A90 PolarHBondContact N-O 2.83Å; Y44-A90 PolarHBondContact O-N 3.15Å; A90-W107 HydrophobicContact CB-CH2 3.92Å; A90-W107 HydrophobicContact CB-CZ3 4.47Å; A90-V116 HydrophobicContact CB-CG1 3.86Å; A90-T119 HydrophobicContact CB-CG2 4.14Å
91F94.2Very high85.8Confident0 Ų058.9 Ų58.90%030%0.3CS..EExtended strand (participates in β ladder)trans-118.9141.7176.7-66.4-74.1000111.4L7 V10 A12 L33 I41 T42 F43 L62 V89 R117 K118 F120L7-F91 HydrophobicContact CD2-CB 3.89Å; V10-F91 HydrophobicContact CG1-CB 4.41Å; V10-F91 HydrophobicContact CG1-CD1 3.58Å; V10-F91 HydrophobicContact CG1-CD2 3.76Å; V10-F91 HydrophobicContact CG1-CE1 3.52Å; V10-F91 HydrophobicContact CG1-CE2 3.71Å; V10-F91 HydrophobicContact CG1-CG 3.67Å; V10-F91 HydrophobicContact CG1-CZ 3.57Å; A12-F91 HydrophobicContact CB-CE2 4.2Å; A12-F91 HydrophobicContact CB-CZ 4.37Å; L33-F91 HydrophobicContact CB-CZ 4.36Å; L33-F91 HydrophobicContact CD2-CZ 4.01Å; I41-F91 HydrophobicContact CG2-CB 4.04Å; I41-F91 HydrophobicContact CG2-CD1 3.64Å; I41-F91 HydrophobicContact CG2-CG 4.26Å; T42-F91 WeakPolarHBondContact O-CA 2.99Å; F43-F91 HydrophobicContact CB-CD1 3.79Å; F43-F91 HydrophobicContact CB-CE1 3.79Å; L62-F91 HydrophobicContact CD1-CE1 4.04Å; V89-F91 HydrophobicContact CB-CE2 4.49Å; V89-F91 HydrophobicContact CG1-CD2 4.27Å; V89-F91 HydrophobicContact CG1-CE1 4.2Å; V89-F91 HydrophobicContact CG1-CE2 3.67Å; V89-F91 HydrophobicContact CG1-CZ 3.66Å; F91-R117 PolarHBondContact O-N 2.81Å; F91-K118 HydrophobicContact CB-CB 4.48Å; F91-K118 PolarHBondContact N-O 3.21Å; F91-F120 AromaticContact CD2-CD2 3.92Å; F91-F120 HydrophobicContact CD2-CD2 3.92Å; F91-F120 HydrophobicContact CD2-CE2 4.04Å; F91-F120 AromaticContact CE2-CD2 3.59Å; F91-F120 HydrophobicContact CE2-CD2 3.59Å; F91-F120 AromaticContact CE2-CE2 3.79Å; F91-F120 HydrophobicContact CE2-CE2 3.79Å
92A92.8Very high87Confident0 Ų058.4 Ų58.40%030%0.297CS..EExtended strand (participates in β ladder)trans-141.4151.3171.800000110.2I41 T42 W107 L114I41-A92 WeakPolarHBondContact CA-O 3.32Å; I41-A92 WeakPolarHBondContact CG2-O 3.17Å; T42-A92 HydrophobicContact CG2-CB 3.94Å; T42-A92 PolarHBondContact N-O 3.35Å; T42-A92 PolarHBondContact O-N 3.03Å; A92-W107 HydrophobicContact CB-CH2 4.32Å; A92-L114 HydrophobicContact CB-CB 4.05Å; A92-L114 HydrophobicContact CB-CD1 4.29Å; A92-L114 HydrophobicContact CB-CD2 4.25Å; A92-L114 HydrophobicContact CB-CG 4.45Å
93V92.7Very high88.4Confident16 Ų1653.8 Ų53.810%0.09727%0.267CS..EExtended strand (participates in β ladder)trans-72.6134.7172.7-178.40000108.5D3 I6 L7 E39 I41 P95D3-V93 HydrophobicContact CB-CB 4.41Å; D3-V93 HydrophobicContact CB-CG2 3.71Å; I6-V93 HydrophobicContact CB-CG2 4.11Å; I6-V93 HydrophobicContact CD1-CG1 4.42Å; I6-V93 HydrophobicContact CD1-CG2 4.27Å; I6-V93 HydrophobicContact CG2-CG2 3.86Å; L7-V93 HydrophobicContact CD1-CG2 4.32Å; L7-V93 HydrophobicContact CD2-CG2 4.33Å; L7-V93 HydrophobicContact CG-CG2 4.04Å; E39-V93 HydrophobicContact CB-CG1 4.44Å; I41-V93 HydrophobicContact CD1-CB 4.38Å; I41-V93 HydrophobicContact CD1-CG2 3.89Å; V93-P95 WeakPolarHBondContact O-CD 3.45Å
94V91.7Very high89.1Confident10 Ų1052.8 Ų52.86%0.06126%0.264CS..PPolyproline II helixtrans-71.5123.1172.8177.50000108.6S40 T42 I61 K96 Y100 L106S40-V94 WeakPolarHBondContact O-CB 3.18Å; S40-V94 WeakPolarHBondContact O-CG2 3.31Å; S40-V94 PolarHBondContact O-N 3.2Å; T42-V94 HydrophobicContact CG2-CG2 4.37Å; I61-V94 HydrophobicContact CG1-CG2 4.38Å; I61-V94 HydrophobicContact CG2-CG2 4.25Å; V94-K96 PolarHBondContact O-N 2.77Å; V94-Y100 HydrophobicContact CG1-CE1 3.49Å; V94-Y100 VanDerWaalsContact CG1-CE1 3.49Å; V94-Y100 WeakPolarHBondContact CG1-OH 3.2Å; V94-L106 HydrophobicContact CG1-CD1 4.27Å; V94-L106 HydrophobicContact CG2-CD1 4.15Å
95P88.4Confident89.3Confident30 Ų3049.8 Ų49.820%0.19525%0.251CS..PPolyproline II helixtrans-66133.7178.5-15.127.7000110.8V93 N97 A98 L114V93-P95 WeakPolarHBondContact O-CD 3.45Å; P95-N97 PolarHBondContact O-N 3.27Å; P95-N97 VanDerWaalsContact O-N 3.1Å; P95-A98 HydrophobicContact CB-CB 3.92Å; P95-A98 HydrophobicContact CG-CB 4.05Å; P95-A98 WeakPolarHBondContact O-CB 3.34Å; P95-A98 PolarHBondContact O-N 2.77Å; P95-L114 HydrophobicContact CG-CD2 4.23Å
96K85.4Confident89.1Confident163 Ų16349.6 Ų49.671%0.70925%0.251SS*.THydrogen-bonded Turntrans-58.8-27.1-175.3-64.7-171.9177.9-168.80114.3E39 V94E39-K96 WeakPolarHBondContact OE1-CE 3.42Å; E39-K96 IonicContact OE1-NZ 2.75Å; E39-K96 PolarHBondContact OE1-NZ 2.91Å; E39-K96 WeakPolarHBondContact OE2-CE 3.39Å; E39-K96 IonicContact OE2-NZ 3.55Å; V94-K96 PolarHBondContact O-N 2.77Å
97N84.1Confident88.8Confident130 Ų13048.1 Ų48.170%0.69525%0.245SC*.THydrogen-bonded Turntrans-108.310.9-177.4-59-22.8000112.7P95 N99P95-N97 PolarHBondContact O-N 3.27Å; P95-N97 VanDerWaalsContact O-N 3.1Å; N97-N99 PolarHBondContact O-N 2.75Å
98A81Confident88.2Confident16 Ų1652.3 Ų52.313%0.13227%0.274CS..  trans-72.9125.7-179.200000110.6P95 Y100 L106P95-A98 HydrophobicContact CB-CB 3.92Å; P95-A98 HydrophobicContact CG-CB 4.05Å; P95-A98 WeakPolarHBondContact O-CB 3.34Å; P95-A98 PolarHBondContact O-N 2.77Å; A98-Y100 HydrophobicContact CB-CD1 3.71Å; A98-Y100 HydrophobicContact CB-CE1 4.09Å; A98-Y100 VanDerWaalsContact O-CD1 3.29Å; A98-Y100 WeakPolarHBondContact O-CD1 3.38Å; A98-Y100 PolarHBondContact O-N 2.89Å; A98-L106 HydrophobicContact CB-CD2 3.98Å
99N82.7Confident87.3Confident118 Ų11852.6 Ų52.663%0.63128%0.283SS*.  trans-89.192.8172.8-64.6-72000109.6N97 F110 D111N97-N99 PolarHBondContact O-N 2.75Å; N99-F110 WeakPolarHBondContact O-CD1 3.01Å; N99-F110 WeakPolarHBondContact O-CE1 3.45Å; N99-D111 PolarHBondContact N-OD2 3.12Å; N99-D111 PolarHBondContact ND2-OD2 2.83Å
100Y82.9Confident85.5Confident76 Ų7658.9 Ų58.930%0.29831%0.31SS..  trans-129.8146.6176.464-86.8000110.6I61 V94 A98 L106I61-Y100 HydrophobicContact CD1-CD2 4.07Å; I61-Y100 HydrophobicContact CD1-CE2 3.24Å; V94-Y100 HydrophobicContact CG1-CE1 3.49Å; V94-Y100 VanDerWaalsContact CG1-CE1 3.49Å; V94-Y100 WeakPolarHBondContact CG1-OH 3.2Å; A98-Y100 HydrophobicContact CB-CD1 3.71Å; A98-Y100 HydrophobicContact CB-CE1 4.09Å; A98-Y100 VanDerWaalsContact O-CD1 3.29Å; A98-Y100 WeakPolarHBondContact O-CD1 3.38Å; A98-Y100 PolarHBondContact O-N 2.89Å; Y100-L106 HydrophobicContact CD1-CD1 4.01Å; Y100-L106 HydrophobicContact CD1-CD2 3.29Å; Y100-L106 HydrophobicContact CD1-CG 3.69Å; Y100-L106 HydrophobicContact CD2-CD1 3.86Å; Y100-L106 HydrophobicContact CD2-CD2 4.4Å; Y100-L106 HydrophobicContact CD2-CG 3.86Å; Y100-L106 HydrophobicContact CE1-CD1 4Å; Y100-L106 HydrophobicContact CE1-CD2 3.82Å; Y100-L106 HydrophobicContact CE1-CG 4.18Å; Y100-L106 HydrophobicContact CE2-CD1 3.9Å; Y100-L106 HydrophobicContact CE2-CG 4.38Å; Y100-L106 HydrophobicContact CG-CD1 3.94Å; Y100-L106 HydrophobicContact CG-CD2 3.62Å; Y100-L106 HydrophobicContact CG-CG 3.49Å; Y100-L106 VanDerWaalsContact CG-CG 3.49Å
101K83.7Confident83.9Confident191 Ų19161.8 Ų61.883%0.8333%0.325SS*.SBendtrans-97.5-28.5170.4-62.9-174.4178.9-1770111.8
102T87.3Confident82.8Confident69 Ų6966.2 Ų66.242%0.42335%0.345SS..SBendtrans-136.6153.4-176.771.30000111.4G104 Q105 L106T102-G104 PolarHBondContact O-N 2.79Å; T102-Q105 WeakPolarHBondContact O-CB 3.16Å; T102-Q105 PolarHBondContact O-N 2.71Å; T102-Q105 VanDerWaalsContact O-N 3.09Å; T102-Q105 PolarHBondContact OG1-N 3.1Å; T102-L106 PolarHBondContact O-N 2.85Å
103A88.2Confident81.9Confident12 Ų1271.5 Ų71.510%0.09938%0.38CS..Hα-helixtrans-60.5-29.217400000112.2Y59 I61 Q105 L106 W107Y59-A103 HydrophobicContact CD2-CB 3.81Å; Y59-A103 HydrophobicContact CG-CB 4.48Å; I61-A103 HydrophobicContact CD1-CB 4.29Å; I61-A103 HydrophobicContact CG1-CB 4.05Å; A103-Q105 VanDerWaalsContact C-N 3.3Å; A103-Q105 PolarHBondContact O-N 2.7Å; A103-L106 WeakPolarHBondContact O-CB 3.17Å; A103-L106 PolarHBondContact O-N 3.2Å; A103-W107 PolarHBondContact O-N 2.86Å
104G86.9Confident81.3Confident17 Ų1772.1 Ų72.118%0.17538%0.382CS..Hα-helixtrans-60.4-37.7174.100000113.1T102 W107 S108T102-G104 PolarHBondContact O-N 2.79Å; G104-W107 PolarHBondContact O-N 3.02Å; G104-S108 PolarHBondContact O-N 2.55Å
105Q87.4Confident80.6Confident52 Ų5276.8 Ų76.824%0.24341%0.406CS..Hα-helixtrans-68.4-35.8177.1-73.2175.7-26.200112.7T102 A103 W107 S108 G109 F110T102-Q105 WeakPolarHBondContact O-CB 3.16Å; T102-Q105 PolarHBondContact O-N 2.71Å; T102-Q105 VanDerWaalsContact O-N 3.09Å; T102-Q105 PolarHBondContact OG1-N 3.1Å; A103-Q105 VanDerWaalsContact C-N 3.3Å; A103-Q105 PolarHBondContact O-N 2.7Å; Q105-W107 VanDerWaalsContact C-N 3.32Å; Q105-W107 PolarHBondContact O-N 2.8Å; Q105-S108 WeakPolarHBondContact CA-OG 3.42Å; Q105-S108 PolarHBondContact O-N 3.4Å; Q105-S108 PolarHBondContact O-OG 2.83Å; Q105-G109 PolarHBondContact O-N 3.17Å; Q105-F110 HydrophobicContact CB-CB 3.94Å; Q105-F110 HydrophobicContact CB-CG 4.29Å; Q105-F110 WeakPolarHBondContact O-CB 3.46Å; Q105-F110 PolarHBondContact O-N 2.62Å; Q105-F110 VanDerWaalsContact O-N 3.08Å
106L86.3Confident79.8Confident10 Ų1078.6 Ų78.65%0.05242%0.417CS..Hα-helixtrans-59-46.8172.5-76.1174.1000110.7T42 I61 V94 A98 Y100 T102 A103 S108 G109 L114T42-L106 HydrophobicContact CG2-CD1 4.43Å; I61-L106 HydrophobicContact CD1-CD1 3.8Å; I61-L106 HydrophobicContact CG1-CD1 4.12Å; V94-L106 HydrophobicContact CG1-CD1 4.27Å; V94-L106 HydrophobicContact CG2-CD1 4.15Å; A98-L106 HydrophobicContact CB-CD2 3.98Å; Y100-L106 HydrophobicContact CD1-CD1 4.01Å; Y100-L106 HydrophobicContact CD1-CD2 3.29Å; Y100-L106 HydrophobicContact CD1-CG 3.69Å; Y100-L106 HydrophobicContact CD2-CD1 3.86Å; Y100-L106 HydrophobicContact CD2-CD2 4.4Å; Y100-L106 HydrophobicContact CD2-CG 3.86Å; Y100-L106 HydrophobicContact CE1-CD1 4Å; Y100-L106 HydrophobicContact CE1-CD2 3.82Å; Y100-L106 HydrophobicContact CE1-CG 4.18Å; Y100-L106 HydrophobicContact CE2-CD1 3.9Å; Y100-L106 HydrophobicContact CE2-CG 4.38Å; Y100-L106 HydrophobicContact CG-CD1 3.94Å; Y100-L106 HydrophobicContact CG-CD2 3.62Å; Y100-L106 HydrophobicContact CG-CG 3.49Å; Y100-L106 VanDerWaalsContact CG-CG 3.49Å; T102-L106 PolarHBondContact O-N 2.85Å; A103-L106 WeakPolarHBondContact O-CB 3.17Å; A103-L106 PolarHBondContact O-N 3.2Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 2.97Å; L106-G109 PolarHBondContact O-N 2.65Å; L106-L114 HydrophobicContact CB-CD1 4.06Å; L106-L114 WeakPolarHBondContact O-CD1 3.46Å; L106-L114 WeakPolarHBondContact O-CG 3.32Å
107W86.6Confident79.4Confident59 Ų5974.6 Ų74.622%0.22340%0.397CS..Hα-helixtrans-73.5-20.5-179.3-72.8105.8000114.3T42 F43 Y44 A90 A92 A103 G104 Q105 G109 L114 V116T42-W107 HydrophobicContact CG2-CZ2 3.93Å; T42-W107 PolarHBondContact OG1-NE1 2.93Å; F43-W107 PolarHBondContact O-NE1 2.86Å; Y44-W107 VanDerWaalsContact CB-CZ2 3.5Å; Y44-W107 HydrophobicContact CG-CD2 4.3Å; Y44-W107 HydrophobicContact CG-CE3 4.41Å; A90-W107 HydrophobicContact CB-CH2 3.92Å; A90-W107 HydrophobicContact CB-CZ3 4.47Å; A92-W107 HydrophobicContact CB-CH2 4.32Å; A103-W107 PolarHBondContact O-N 2.86Å; G104-W107 PolarHBondContact O-N 3.02Å; Q105-W107 VanDerWaalsContact C-N 3.32Å; Q105-W107 PolarHBondContact O-N 2.8Å; W107-G109 VanDerWaalsContact C-N 3.27Å; W107-L114 HydrophobicContact CD2-CD1 3.66Å; W107-L114 HydrophobicContact CE3-CD1 3.86Å; W107-L114 HydrophobicContact CG-CD1 4.08Å; W107-L114 HydrophobicContact CH2-CD1 4.46Å; W107-L114 HydrophobicContact CZ2-CD1 4.27Å; W107-L114 HydrophobicContact CZ3-CD1 4.28Å; W107-V116 HydrophobicContact CH2-CG2 3.7Å; W107-V116 HydrophobicContact CZ3-CG2 3.37Å
108S84Confident79.7Confident89 Ų8970.5 Ų70.562%0.62237%0.373SS*.THydrogen-bonded Turntrans-83-0.7172.168.80000113.7G104 Q105 L106G104-S108 PolarHBondContact O-N 2.55Å; Q105-S108 WeakPolarHBondContact CA-OG 3.42Å; Q105-S108 PolarHBondContact O-N 3.4Å; Q105-S108 PolarHBondContact O-OG 2.83Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 2.97Å
109G75.6Confident80.3Confident36 Ų3673.6 Ų73.637%0.37139%0.391SS..THydrogen-bonded Turntrans68.934.5-177.100000113.2Q105 L106 W107 D111Q105-G109 PolarHBondContact O-N 3.17Å; L106-G109 PolarHBondContact O-N 2.65Å; W107-G109 VanDerWaalsContact C-N 3.27Å; G109-D111 PolarHBondContact O-N 3.37Å; G109-D111 VanDerWaalsContact O-N 3.15Å
110F58.4Low80.9Confident132 Ų13269.6 Ų69.658%0.57937%0.368SS*.SBendtrans-56.4-31.9-173.4179.7-98.6000114.1N99 Q105N99-F110 WeakPolarHBondContact O-CD1 3.01Å; N99-F110 WeakPolarHBondContact O-CE1 3.45Å; Q105-F110 HydrophobicContact CB-CB 3.94Å; Q105-F110 HydrophobicContact CB-CG 4.29Å; Q105-F110 WeakPolarHBondContact O-CB 3.46Å; Q105-F110 PolarHBondContact O-N 2.62Å; Q105-F110 VanDerWaalsContact O-N 3.08Å
111D61.8Low81.6Confident72 Ų7268.9 Ų68.939%0.38537%0.372SS..SBendtrans-125.6-47.9-179.8-163.7-4000110.7N99 G109N99-D111 PolarHBondContact N-OD2 3.12Å; N99-D111 PolarHBondContact ND2-OD2 2.83Å; G109-D111 PolarHBondContact O-N 3.37Å; G109-D111 VanDerWaalsContact O-N 3.15Å
112Q70.3Confident82.1Confident92 Ų9259.8 Ų59.843%0.4333%0.332SS..SBendtrans-142.4146.5180-63.4-1803.500110.3L114Q112-L114 PolarHBondContact O-N 3.18Å
113P74.9Confident82.4Confident112 Ų11259.2 Ų59.273%0.72732%0.324SS*.  trans-65.8129.6174.527.5-33.2000110.1L115P113-L115 PolarHBondContact O-N 2.8Å
114L80.5Confident82.6Confident28 Ų2858.6 Ų58.615%0.14732%0.32CS..  trans-73.5124.9169.4-68175.9000109.7T42 A92 P95 L106 W107 Q112 V116T42-L114 HydrophobicContact CG2-CD1 3.63Å; T42-L114 HydrophobicContact CG2-CD2 4.16Å; A92-L114 HydrophobicContact CB-CB 4.05Å; A92-L114 HydrophobicContact CB-CD1 4.29Å; A92-L114 HydrophobicContact CB-CD2 4.25Å; A92-L114 HydrophobicContact CB-CG 4.45Å; P95-L114 HydrophobicContact CG-CD2 4.23Å; L106-L114 HydrophobicContact CB-CD1 4.06Å; L106-L114 WeakPolarHBondContact O-CD1 3.46Å; L106-L114 WeakPolarHBondContact O-CG 3.32Å; W107-L114 HydrophobicContact CD2-CD1 3.66Å; W107-L114 HydrophobicContact CE3-CD1 3.86Å; W107-L114 HydrophobicContact CG-CD1 4.08Å; W107-L114 HydrophobicContact CH2-CD1 4.46Å; W107-L114 HydrophobicContact CZ2-CD1 4.27Å; W107-L114 HydrophobicContact CZ3-CD1 4.28Å; Q112-L114 PolarHBondContact O-N 3.18Å; L114-V116 PolarHBondContact O-N 2.79Å
115L76.5Confident82.7Confident108 Ų10860.1 Ų60.157%0.56532%0.323SS*.  trans-8299.4166-67174.3000108.4P113 R117P113-L115 PolarHBondContact O-N 2.8Å; L115-R117 HydrophobicContact CB-CG 4.26Å; L115-R117 VanDerWaalsContact O-CG 3.3Å; L115-R117 WeakPolarHBondContact O-CG 3.18Å; L115-R117 PolarHBondContact O-N 2.89Å
116V72.2Confident82.6Confident68 Ų6858.3 Ų58.341%0.41231%0.314SS..  trans-67.2118.3169.3-176.20000108.1A90 W107 L114 T119A90-V116 HydrophobicContact CB-CG1 3.86Å; W107-V116 HydrophobicContact CH2-CG2 3.7Å; W107-V116 HydrophobicContact CZ3-CG2 3.37Å; L114-V116 PolarHBondContact O-N 2.79Å; V116-T119 HydrophobicContact CG1-CG2 4.06Å
117R75.8Confident82.2Confident79 Ų7960.4 Ų60.430%0.29832%0.324SS..  trans-121.2-7.5-179.5-39.3-168.5-177.4-163.711.9114.5D3 H4 L7 F91 L115D3-R117 VanDerWaalsContact CG-NH2 3.33Å; D3-R117 IonicContact OD2-CZ 3.59Å; D3-R117 IonicContact OD2-NE 3.81Å; D3-R117 PolarHBondContact OD2-NE 3.1Å; D3-R117 VanDerWaalsContact OD2-NE 3.15Å; D3-R117 IonicContact OD2-NH2 2.7Å; D3-R117 PolarHBondContact OD2-NH2 2.97Å; H4-R117 PolarHBondContact CD2-NH1 2.81Å; H4-R117 VanDerWaalsContact CE1-CD 3.43Å; H4-R117 WeakPolarHBondContact CE1-CD 3.34Å; H4-R117 PolarHBondContact NE2-NH1 3.22Å; L7-R117 HydrophobicContact CD1-CB 3.59Å; L7-R117 HydrophobicContact CD1-CG 4.06Å; F91-R117 PolarHBondContact O-N 2.81Å; L115-R117 HydrophobicContact CB-CG 4.26Å; L115-R117 VanDerWaalsContact O-CG 3.3Å; L115-R117 WeakPolarHBondContact O-CG 3.18Å; L115-R117 PolarHBondContact O-N 2.89Å
118K91.4Very high81.3Confident45 Ų4561.7 Ų61.720%0.19634%0.34CS..EExtended strand (participates in β ladder)trans-139.4135.6176.2-163.6170.3-166.3-176.30110.8L7 Q8 V10 F91 F120L7-K118 HydrophobicContact CB-CB 4.19Å; L7-K118 HydrophobicContact CB-CD 4.32Å; L7-K118 WeakPolarHBondContact O-CD 3.09Å; L7-K118 WeakPolarHBondContact O-CE 3.19Å; L7-K118 PolarHBondContact O-NZ 3.47Å; Q8-K118 PolarHBondContact O-NZ 3.41Å; Q8-K118 VanDerWaalsContact O-NZ 3.1Å; V10-K118 WeakPolarHBondContact O-CE 3.09Å; V10-K118 PolarHBondContact O-NZ 3Å; F91-K118 HydrophobicContact CB-CB 4.48Å; F91-K118 PolarHBondContact N-O 3.21Å; K118-F120 HydrophobicContact CD-CE2 3.85Å; K118-F120 HydrophobicContact CD-CZ 4.18Å; K118-F120 VanDerWaalsContact CE-CZ 3.41Å; K118-F120 HydrophobicContact CG-CE2 3.96Å
119T93.7Very high80.2Confident81 Ų8163.3 Ų63.350%0.49734%0.338SS..EExtended strand (participates in β ladder)trans-133.6147.5173.661.60000110.1V88 V89 A90 V116V88-T119 HydrophobicContact CG1-CG2 4.18Å; V89-T119 CarbonylContact O-C 3.51Å; V89-T119 WeakPolarHBondContact O-CA 3.47Å; A90-T119 HydrophobicContact CB-CG2 4.14Å; V116-T119 HydrophobicContact CG1-CG2 4.06Å
120F95.3Very high79.3Confident33 Ų3368.8 Ų68.815%0.14536%0.358CS..EExtended strand (participates in β ladder)trans-123.3137168.5-68.1-91.8000108.6V10 F11 A12 L15 V88 V89 F91 K118V10-F120 WeakPolarHBondContact O-CZ 3.47Å; F11-F120 HydrophobicContact CD1-CZ 4.32Å; A12-F120 HydrophobicContact CB-CB 3.97Å; A12-F120 HydrophobicContact CB-CD2 3.99Å; A12-F120 HydrophobicContact CB-CG 3.96Å; L15-F120 HydrophobicContact CD1-CD1 4.43Å; L15-F120 HydrophobicContact CD2-CB 3.93Å; L15-F120 HydrophobicContact CD2-CD1 3.87Å; L15-F120 HydrophobicContact CD2-CG 4.32Å; V88-F120 CarbonylContact C-O 3.52Å; V88-F120 WeakPolarHBondContact CA-O 3.38Å; V89-F120 HydrophobicContact CB-CB 4.48Å; V89-F120 PolarHBondContact N-O 3.35Å; V89-F120 PolarHBondContact O-N 3.07Å; F91-F120 AromaticContact CD2-CD2 3.92Å; F91-F120 HydrophobicContact CD2-CD2 3.92Å; F91-F120 HydrophobicContact CD2-CE2 4.04Å; F91-F120 AromaticContact CE2-CD2 3.59Å; F91-F120 HydrophobicContact CE2-CD2 3.59Å; F91-F120 AromaticContact CE2-CE2 3.79Å; F91-F120 HydrophobicContact CE2-CE2 3.79Å; K118-F120 HydrophobicContact CD-CE2 3.85Å; K118-F120 HydrophobicContact CD-CZ 4.18Å; K118-F120 VanDerWaalsContact CE-CZ 3.41Å; K118-F120 HydrophobicContact CG-CE2 3.96Å
121T95.9Very high78.9Confident62 Ų6268.9 Ų68.938%0.3837%0.369SS..EExtended strand (participates in β ladder)trans-104.9110.2175.5-59.60000109.1Y86 Q123Y86-T121 HydrophobicContact CD2-CG2 4.28Å; Y86-T121 HydrophobicContact CG-CG2 4.15Å; T121-Q123 HydrophobicContact CG2-CG 4.31Å
122V94.6Very high77.7Confident0 Ų070.2 Ų70.20%039%0.385CS..EExtended strand (participates in β ladder)trans-88.2117.2173.4-179.60000108.9P14 L15 I31 Y86 V87 V89 F124P14-V122 WeakPolarHBondContact O-CG1 3.41Å; L15-V122 HydrophobicContact CD2-CG2 4.31Å; L15-V122 CarbonylContact O-C 3.54Å; L15-V122 WeakPolarHBondContact O-CA 3.36Å; I31-V122 HydrophobicContact CD1-CB 3.96Å; I31-V122 HydrophobicContact CD1-CG1 4.01Å; I31-V122 HydrophobicContact CD1-CG2 3.73Å; I31-V122 HydrophobicContact CG1-CB 4.49Å; I31-V122 HydrophobicContact CG1-CG1 4.12Å; I31-V122 HydrophobicContact CG1-CG2 4.1Å; I31-V122 HydrophobicContact CG2-CG2 4.05Å; Y86-V122 CarbonylContact C-O 3.56Å; Y86-V122 WeakPolarHBondContact CA-O 3.33Å; Y86-V122 WeakPolarHBondContact CB-O 3.36Å; V87-V122 PolarHBondContact N-O 2.93Å; V87-V122 PolarHBondContact O-N 3.23Å; V89-V122 HydrophobicContact CG2-CG2 4.38Å; V122-F124 HydrophobicContact CG1-CE2 4.13Å; V122-F124 HydrophobicContact CG1-CZ 4.04Å
123Q94.7Very high75.8Confident56 Ų5671.4 Ų71.426%0.26240%0.401SS..EExtended strand (participates in β ladder)trans-95.8137.7-176.6-58.5-174.73.100111.4L15 V16 W17 K84 T121 L125L15-Q123 PolarHBondContact O-N 3.07Å; V16-Q123 CarbonylContact C-O 3.48Å; V16-Q123 WeakPolarHBondContact CA-O 2.87Å; W17-Q123 PolarHBondContact N-O 2.61Å; K84-Q123 VanDerWaalsContact CE-CD 3.42Å; K84-Q123 VanDerWaalsContact NZ-CD 3.3Å; K84-Q123 VanDerWaalsContact NZ-NE2 3.16Å; T121-Q123 HydrophobicContact CG2-CG 4.31Å; Q123-L125 HydrophobicContact CB-CD2 4.25Å; Q123-L125 HydrophobicContact CB-CG 4.47Å
124F91.9Very high73.8Confident0 Ų071.3 Ų71.30%040%0.399CS..EExtended strand (participates in β ladder)trans-111104.4170.6-60.3-86.3000108.1W17 L19 K29 V72 V74 E85 V87 V122W17-F124 HydrophobicContact CB-CD1 3.64Å; W17-F124 HydrophobicContact CB-CE1 3.93Å; W17-F124 AromaticContact CD1-CE1 3.48Å; W17-F124 VanDerWaalsContact CD1-CE1 3.48Å; W17-F124 HydrophobicContact CG-CD1 4.09Å; W17-F124 AromaticContact CG-CE1 3.85Å; W17-F124 HydrophobicContact CG-CE1 3.85Å; W17-F124 WeakPolarHBondContact O-CA 3.4Å; L19-F124 HydrophobicContact CD1-CB 4.04Å; L19-F124 HydrophobicContact CD1-CD1 4.06Å; L19-F124 HydrophobicContact CD1-CG 4.5Å; K29-F124 HydrophobicContact CB-CE1 3.99Å; K29-F124 HydrophobicContact CG-CE1 4.01Å; V72-F124 HydrophobicContact CB-CZ 3.89Å; V72-F124 HydrophobicContact CG1-CE1 4.41Å; V72-F124 HydrophobicContact CG1-CE2 4.06Å; V72-F124 HydrophobicContact CG1-CZ 3.66Å; V72-F124 HydrophobicContact CG2-CZ 4.19Å; V74-F124 HydrophobicContact CG2-CD1 3.68Å; V74-F124 HydrophobicContact CG2-CD2 4.43Å; V74-F124 HydrophobicContact CG2-CE1 3.7Å; V74-F124 HydrophobicContact CG2-CE2 4.47Å; V74-F124 HydrophobicContact CG2-CG 4.06Å; V74-F124 HydrophobicContact CG2-CZ 4.12Å; E85-F124 HydrophobicContact CB-CB 4.38Å; E85-F124 PolarHBondContact N-O 2.82Å; E85-F124 PolarHBondContact O-N 3.01Å; V87-F124 HydrophobicContact CB-CE2 4.33Å; V87-F124 HydrophobicContact CG2-CE2 3.89Å; V122-F124 HydrophobicContact CG1-CE2 4.13Å; V122-F124 HydrophobicContact CG1-CZ 4.04Å
125L88.9Confident71.7Confident48 Ų4879.3 Ų79.325%0.25143%0.433SS..EExtended strand (participates in β ladder)trans-98.8122.2-177.9-55.6-177.3000108.7V16 W17 R18 L19 K84 Q123V16-L125 HydrophobicContact CG1-CD1 3.67Å; V16-L125 HydrophobicContact CG1-CG 4.1Å; W17-L125 PolarHBondContact O-N 3.23Å; R18-L125 CarbonylContact C-O 3.57Å; R18-L125 WeakPolarHBondContact CA-O 3.42Å; L19-L125 PolarHBondContact N-O 3.35Å; K84-L125 HydrophobicContact CD-CD2 4.16Å; K84-L125 HydrophobicContact CG-CD2 4.04Å; Q123-L125 HydrophobicContact CB-CD2 4.25Å; Q123-L125 HydrophobicContact CB-CG 4.47Å
126Y84.5Confident69.7Low14 Ų1479 Ų796%0.05544%0.439CS..EExtended strand (participates in β ladder)trans-93.8117-178.5-60-84.3000109.1L19 V74 F77 C83 E85L19-Y126 HydrophobicContact CB-CD1 4.04Å; L19-Y126 HydrophobicContact CD1-CD1 4.1Å; L19-Y126 HydrophobicContact CD1-CE1 3.82Å; L19-Y126 CarbonylContact O-C 3.56Å; L19-Y126 WeakPolarHBondContact O-CA 3.41Å; V74-Y126 HydrophobicContact CG1-CE1 4.11Å; V74-Y126 WeakPolarHBondContact CG1-OH 3.44Å; F77-Y126 HydrophobicContact CB-CD1 4.48Å; F77-Y126 AromaticContact CD1-CD1 3.16Å; F77-Y126 HydrophobicContact CD1-CD1 3.16Å; F77-Y126 AromaticContact CD1-CE1 3.61Å; F77-Y126 HydrophobicContact CD1-CE1 3.61Å; F77-Y126 HydrophobicContact CD1-CG 4.11Å; F77-Y126 HydrophobicContact CD2-CD1 4.29Å; F77-Y126 AromaticContact CE1-CD1 3.2Å; F77-Y126 HydrophobicContact CE1-CD1 3.2Å; F77-Y126 HydrophobicContact CE1-CE1 4.04Å; F77-Y126 HydrophobicContact CE1-CG 4.02Å; F77-Y126 HydrophobicContact CE2-CD1 4.32Å; F77-Y126 HydrophobicContact CE2-CG 4.45Å; F77-Y126 AromaticContact CG-CD1 3.74Å; F77-Y126 HydrophobicContact CG-CD1 3.74Å; F77-Y126 HydrophobicContact CG-CE1 4.2Å; F77-Y126 HydrophobicContact CG-CG 4.36Å; F77-Y126 AromaticContact CZ-CD1 3.81Å; F77-Y126 HydrophobicContact CZ-CD1 3.81Å; F77-Y126 HydrophobicContact CZ-CG 4.17Å; C83-Y126 VanDerWaalsContact C-CD2 3.49Å; C83-Y126 HydrophobicContact CB-CD2 3.71Å; C83-Y126 HydrophobicContact CB-CE2 3.63Å; C83-Y126 WeakPolarHBondContact O-CD2 3.12Å; E85-Y126 HydrophobicContact CB-CE2 4.16Å; E85-Y126 HydrophobicContact CG-CE2 3.71Å; E85-Y126 WeakPolarHBondContact CG-OH 3.23Å
127E79.1Confident68.2Low54 Ų5483 Ų8325%0.25246%0.458SS..PPolyproline II helixtrans-89128180-64.1-175.115600109.5R18 L19R18-E127 HydrophobicContact CB-CG 4.37Å; R18-E127 VanDerWaalsContact CD-OE1 3.23Å; R18-E127 WeakPolarHBondContact CD-OE1 3.49Å; R18-E127 WeakPolarHBondContact CG-OE1 3.47Å; R18-E127 IonicContact CZ-OE1 3.72Å; R18-E127 IonicContact NE-OE1 3.87Å; R18-E127 IonicContact NH1-OE1 2.77Å; R18-E127 PolarHBondContact NH1-OE1 2.81Å; L19-E127 PolarHBondContact O-N 3.31Å
128P66.7Low66.3Low86 Ų8687.6 Ų87.656%0.55849%0.487SS*.PPolyproline II helixtrans-63.5146.2171.627.2-31.9000109.8N130P128-N130 PolarHBondContact O-N 3.05Å
129E62Low63.9Low124 Ų12494 Ų9458%0.57952%0.518SS*.  trans-63.9104.4166.7-73.9-178.4179.300107.5S21 V131S21-E129 WeakPolarHBondContact CB-OE1 2.75Å; E129-V131 PolarHBondContact O-N 2.82Å
130N57.1Low61.2Low151 Ų15197.6 Ų97.681%0.80753%0.534SS*.  trans-61.2111.1176.1-83.8-14.2000109P128 S132P128-N130 PolarHBondContact O-N 3.05Å; N130-S132 PolarHBondContact O-N 2.78Å; N130-S132 VanDerWaalsContact O-N 3.13Å
131V50.2Low58.6Low133 Ų133100.4 Ų100.481%0.80656%0.556SS**  trans-57.6109.6160.6-174.80000107.5E129E129-V131 PolarHBondContact O-N 2.82Å
132S36.6Very low56Low101 Ų101106.7 Ų106.771%0.70657%0.574SS**SBendtrans59121.4158.669.40000120.8N130N130-S132 PolarHBondContact O-N 2.78Å; N130-S132 VanDerWaalsContact O-N 3.13Å
133C30.1Very low52.9Low116 Ų116111.6 Ų111.678%0.78461%0.614SS**  trans75.7134134-110.20000121.9
134T33.3Very low50.2Low111 Ų111116.1 Ų116.168%0.68164%0.64SS**  trans85.6100.5149.449.30000120.9
135K35.1Very low47.3Very low195 Ų195124.8 Ų124.885%0.84868%0.68SS**  trans81.1136131-65.3178.9178.9179.10118.6
136S34.5Very low44.8Very low101 Ų101128.4 Ų128.471%0.70670%0.704SS**  trans79.196.7152.7150.70000115.8
137L41.8Very low42.4Very low153 Ų153133.6 Ų133.680%0.80174%0.74SS**  179.4104.3109.2-90.3153000109.3
138L34.7Very low40Very low175 Ų175136.5 Ų136.592%0.91677%0.766SS**  trans-66.7121.3155.2-121.198.6000106.4
139E40.6Very low38.5Very low179 Ų179136.8 Ų136.884%0.83677%0.77SS**  trans-171.197.9151.4-108.1172.8177.800108.2
140D38.4Very low37.1Very low158 Ų158138.1 Ų138.185%0.84578%0.776SS**  trans-71.5142.7155-114.6-38.3000107
141P40.4Very low36.1Very low92 Ų92141.3 Ų141.360%0.59778%0.783SS**  -152.314991.434.8-15.9000113.7
142Y41.2Very low35.4Very low193 Ų193141.4 Ų141.476%0.75778%0.779SS**  165.485.4126.4-85.4-66.3000107.7L144Y142-L144 VanDerWaalsContact C-N 3.26Å; Y142-L144 PolarHBondContact O-N 2.77Å
143A30.1Very low35.3Very low103 Ų103141 Ų14185%0.85178%0.777SS**  trans-61.191.1156.600000108.5
144L36.9Very low35.7Very low152 Ų152144 Ų14480%0.79679%0.785SS**  trans-95.698.1165.8-79.6169.7000108.1Y142 T146Y142-L144 VanDerWaalsContact C-N 3.26Å; Y142-L144 PolarHBondContact O-N 2.77Å; L144-T146 PolarHBondContact O-N 3.44Å
145Q32Very low36.3Very low182 Ų182146.9 Ų146.985%0.8579%0.791SS**  trans-53.5126.5170.7-69.7173-17.500109.8
146T35.5Very low36.9Very low123 Ų123146.6 Ų146.676%0.75579%0.792SS**  trans-70.9128171.7-3.90000108.6L144 S148L144-T146 PolarHBondContact O-N 3.44Å; T146-S148 PolarHBondContact O-N 2.96Å
147P34.8Very low37.5Very low124 Ų124147 Ų14781%0.80580%0.795SS**  trans-70.4115.4162.3-8.624.3000108.2
148S28.4Very low37.8Very low115 Ų115149 Ų14980%0.80480%0.797SS**  trans-73.7119.4166.254.10000109.2T146T146-S148 PolarHBondContact O-N 2.96Å
149S34.4Very low38.6Very low92 Ų92149.5 Ų149.564%0.64380%0.795SS**  trans-174.7112.6166.4153.90000112.6
150H32.5Very low38.9Very low151 Ų151148.7 Ų148.770%0.69980%0.796SS**  trans61.396.2139.4-62.2-67000118.9
151F37.3Very low39.7Very low219 Ų219146.5 Ų146.596%0.96179%0.793SS**  -155.6110.9111.1-100.3-75.9000108.4
152D33.9Very low40.3Very low134 Ų134148.6 Ų148.672%0.71780%0.799SS**  trans-68142.5175.5-76.4-57.7000111.9
153S35.7Very low40.8Very low94 Ų94147 Ų14766%0.65780%0.804SS**  trans50.4101.4137.6-44.90000119.3E155S153-E155 PolarHBondContact O-N 2.97Å
154D37.8Very low42.4Very low179 Ų179149 Ų14996%0.95780%0.799SS**  trans-84.190.8139.5-76.3-37.6000106.8
155E47.2Very low43.3Very low171 Ų171150 Ų15080%0.79980%0.8SS**  trans-69.7124157.8-87.4-157.1145.600108.3S153 S157S153-E155 PolarHBondContact O-N 2.97Å; E155-S157 PolarHBondContact O-N 3.13Å; E155-S157 VanDerWaalsContact O-N 3.17Å
156E46.7Very low44.5Very low189 Ų189154.9 Ų154.988%0.88382%0.819SS**  trans-59.8112.4163.4-95.5173.8124.600109.6
157S48Very low45Very low108 Ų108156.5 Ų156.576%0.75582%0.822SS**  trans4.6115.8151.744.10000118E155E155-S157 PolarHBondContact O-N 3.13Å; E155-S157 VanDerWaalsContact O-N 3.17Å
158K48.2Very low45.5Very low195 Ų195158.2 Ų158.285%0.84882%0.823SS**  trans-65.5122.5156.2-73.1175.4174.9172.70110.8
159E51.5Low46.5Very low187 Ų187160.6 Ų160.687%0.87482%0.824SS**  trans-88.6114.3146.8-80-177.8155.700107.4
160D45.7Very low47.2Very low162 Ų162164.6 Ų164.687%0.86683%0.834SS**  trans-158.2108.6153.5-98.5-31.6000106.8
161S56.4Low48.1Very low111 Ų111165.5 Ų165.578%0.77684%0.843SS**  trans-134.8129.6163.45.50000109.1
162D52.2Low48.8Very low137 Ų137161.9 Ų161.973%0.73384%0.835SS**  trans70.7101.7151.5-71.4-16.4000118.8
163N52.5Low49.9Very low158 Ų158163.9 Ų163.985%0.84584%0.843SS**  -178138.381.3-91-58.5000112.7
164L63.2Low51Low146 Ų146169.3 Ų169.376%0.76486%0.858SS**  trans-95143.6-178.6-153.484.6000109.7
165E56.6Low52.1Low174 Ų174168.5 Ų168.581%0.81385%0.849SS**  trans61.5100.2153.6-77.6174.7117.200120.9
166K57.1Low52.5Low284 Ų284168.3 Ų168.3100%1.23585%0.854SS**  -161.60107.1-118.2-178.6-175.9179.70112.3

Retrieved 166 of 166 residues in 170.3 ms (Link to these results)

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