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WD repeat-containing protein 18

Functions as a component of the Five Friends of Methylated CHTOP (5FMC) complex; the 5FMC complex is recruited to ZNF148 by methylated CHTOP, leading to desumoylation of ZNF148 and subsequent transactivation of ZNF148 target genes. Component of the PELP1 complex involved in the nucleolar steps of 28S rRNA maturation and the subsequent nucleoplasmic transit of the pre-60S ribosomal subunit. May play a role during development.

AlphaFold DB , UniProt , Accession A0A087X237, Species HUMAN (Homo sapiens, Human), Gene WDR18, Length 144 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
1V59.3Low55.7Low79 Ų7975.7 Ų75.748%0.47945%0.452SS..  0135.70-159.90000107.7I13 V14 L38 L44V1-I13 WeakPolarHBondContact CA-O 3.14Å; V1-I13 WeakPolarHBondContact CG1-O 3.3Å; V1-V14 HydrophobicContact CG1-CG2 4.04Å; V1-V14 HydrophobicContact CG2-CG2 4.34Å; V1-L38 HydrophobicContact CG2-CD1 4.28Å; V1-L38 HydrophobicContact CG2-CD2 4.37Å; V1-L38 HydrophobicContact CG2-CG 4.41Å; V1-L44 HydrophobicContact CB-CD1 4.31Å; V1-L44 HydrophobicContact CG1-CD1 3.74Å; V1-L44 HydrophobicContact CG1-CD2 3.76Å; V1-L44 HydrophobicContact CG1-CG 4.41Å; V1-L44 HydrophobicContact CG2-CD1 4.29Å
2C58.4Low57.2Low56 Ų5669.4 Ų69.438%0.37841%0.414SS..EExtended strand (participates in β ladder)trans-138.7163.2172.5660000109.9I13 W15C2-I13 PolarHBondContact N-O 2.86Å; C2-I13 VanDerWaalsContact N-O 3.07Å; C2-I13 PolarHBondContact O-N 3.32Å; C2-W15 PolarHBondContact SG-NE1 3.34Å
3T55.4Low58.4Low48 Ų4864.7 Ų64.729%0.29439%0.386SS..EExtended strand (participates in β ladder)trans-103.4133.1172.556.10000109.2G29 A31 L36T3-G29 WeakPolarHBondContact CG2-O 3.44Å; T3-A31 HydrophobicContact CG2-CB 3.54Å; T3-L36 HydrophobicContact CG2-CD1 3.76Å; T3-L36 HydrophobicContact CG2-CD2 3.88Å; T3-L36 HydrophobicContact CG2-CG 4.06Å
4D56.1Low59.7Low54 Ų5461.7 Ų61.729%0.28937%0.368SS..EExtended strand (participates in β ladder)trans-103.5129173.3-172.912.3000110.4A6 S11 I13D4-A6 WeakPolarHBondContact OD1-CB 3.46Å; D4-A6 PolarHBondContact OD1-N 2.52Å; D4-S11 PolarHBondContact N-O 3.26Å; D4-I13 HydrophobicContact CB-CD1 3.92Å
5S55.3Low60.8Low82 Ų8264.4 Ų64.457%0.57337%0.369SS*.SBendtrans-98.4-10.2175.960.30000113.4
6A45.8Very low61.8Low87 Ų8765.8 Ų65.872%0.71937%0.372SS*.SBendtrans-90.2-19.8-172.400000114D4D4-A6 WeakPolarHBondContact OD1-CB 3.46Å; D4-A6 PolarHBondContact OD1-N 2.52Å
7A51Low62.5Low32 Ų3271.9 Ų71.926%0.26440%0.402SS..SBendtrans-74.9149.5175.400000112.1M9A7-M9 PolarHBondContact O-N 3.01Å
8P47.9Very low63.1Low133 Ų13378.1 Ų78.186%0.86443%0.427SS*.SBendtrans-62.9-7.117924.7-33.5000114.1
9M52.9Low63.9Low91 Ų9177.7 Ų77.745%0.44843%0.43SS..SBendtrans-130.4112.1168.2-79.5175.4-81.600109.4A7 S11 R27A7-M9 PolarHBondContact O-N 3.01Å; M9-S11 PolarHBondContact O-N 3.32Å; M9-S11 PolarHBondContact O-OG 2.97Å; M9-R27 PolarHBondContact SD-NH1 2.76Å
10W64.4Low64.4Low166 Ų16676.1 Ų76.163%0.62943%0.432SS*.  trans-48.4116.3172.3-58.5-48.3000112.2G28 G29 Q30W10-G28 WeakPolarHBondContact O-CA 3.19Å; W10-G28 PolarHBondContact O-N 3.44Å; W10-G29 PolarHBondContact O-N 3.36Å; W10-Q30 HydrophobicContact CB-CB 4.06Å; W10-Q30 HydrophobicContact CB-CG 3.41Å; W10-Q30 VanDerWaalsContact CB-CG 3.41Å; W10-Q30 HydrophobicContact CD2-CG 4.4Å; W10-Q30 HydrophobicContact CG-CB 4.41Å; W10-Q30 HydrophobicContact CG-CG 3.48Å; W10-Q30 VanDerWaalsContact CG-CG 3.48Å
11S66.6Low64.9Low5 Ų574.5 Ų74.54%0.03543%0.428CS..EExtended strand (participates in β ladder)trans-142.8149.3-172.5560000114.5D4 M9 Y26D4-S11 PolarHBondContact N-O 3.26Å; M9-S11 PolarHBondContact O-N 3.32Å; M9-S11 PolarHBondContact O-OG 2.97Å; S11-Y26 CarbonylContact C-O 3.55Å; S11-Y26 WeakPolarHBondContact CA-O 3.38Å; S11-Y26 WeakPolarHBondContact CB-O 3.32Å
12C72.8Confident65.6Low0 Ų075 Ų750%043%0.428CS..EExtended strand (participates in β ladder)trans-87.6134.7163-63.30000108.6Y26 G29 L44C12-Y26 HydrophobicContact CB-CD2 4.41Å; C12-Y26 PolarHBondContact N-O 2.76Å; C12-Y26 PolarHBondContact O-N 2.8Å; C12-G29 PolarHBondContact SG-O 2.89Å; C12-L44 HydrophobicContact CB-CD2 3.72Å
13I72.9Confident66.3Low8 Ų877 Ų774%0.04144%0.435CS..EExtended strand (participates in β ladder)trans-125.8133-176.1-51.7176.2000110.5V1 C2 D4 W15 N22 L24 T25V1-I13 WeakPolarHBondContact CA-O 3.14Å; V1-I13 WeakPolarHBondContact CG1-O 3.3Å; C2-I13 PolarHBondContact N-O 2.86Å; C2-I13 VanDerWaalsContact N-O 3.07Å; C2-I13 PolarHBondContact O-N 3.32Å; D4-I13 HydrophobicContact CB-CD1 3.92Å; I13-W15 HydrophobicContact CB-CZ2 4.17Å; I13-W15 HydrophobicContact CD1-CZ2 3.92Å; I13-W15 HydrophobicContact CG2-CD2 3.99Å; I13-W15 VanDerWaalsContact CG2-CE2 3.41Å; I13-W15 HydrophobicContact CG2-CG 4.3Å; I13-W15 HydrophobicContact CG2-CZ2 3.73Å; I13-N22 WeakPolarHBondContact CG2-OD1 3.38Å; I13-L24 WeakPolarHBondContact CA-O 3.32Å; I13-T25 HydrophobicContact CG1-CG2 4.33Å
14V77.3Confident67.3Low23 Ų2377.2 Ų77.214%0.13943%0.434CS..EExtended strand (participates in β ladder)trans-100.8126.5170.1-177.90000107.8V1 L23 L24 Y26 L59V1-V14 HydrophobicContact CG1-CG2 4.04Å; V1-V14 HydrophobicContact CG2-CG2 4.34Å; V14-L23 HydrophobicContact CG1-CB 4.38Å; V14-L23 HydrophobicContact CG1-CD1 4.29Å; V14-L23 WeakPolarHBondContact O-CB 3.45Å; V14-L23 PolarHBondContact O-N 3.19Å; V14-L24 HydrophobicContact CB-CB 4.15Å; V14-L24 HydrophobicContact CG2-CB 4.39Å; V14-L24 PolarHBondContact N-O 3.34Å; V14-L24 PolarHBondContact O-N 2.96Å; V14-Y26 HydrophobicContact CG2-CE2 3.92Å; V14-L59 HydrophobicContact CG2-CD2 3.97Å
15W76.4Confident68.2Low102 Ų10277.3 Ų77.339%0.38644%0.436SS..EExtended strand (participates in β ladder)trans-115.2145.8-177-54.882.6000109.8C2 I13 G20 A21 N22C2-W15 PolarHBondContact SG-NE1 3.34Å; I13-W15 HydrophobicContact CB-CZ2 4.17Å; I13-W15 HydrophobicContact CD1-CZ2 3.92Å; I13-W15 HydrophobicContact CG2-CD2 3.99Å; I13-W15 VanDerWaalsContact CG2-CE2 3.41Å; I13-W15 HydrophobicContact CG2-CG 4.3Å; I13-W15 HydrophobicContact CG2-CZ2 3.73Å; W15-G20 VanDerWaalsContact CE3-O 3.27Å; W15-A21 WeakPolarHBondContact CA-O 3.16Å; W15-N22 VanDerWaalsContact CD2-OD1 3.3Å; W15-N22 WeakPolarHBondContact CH2-OD1 3.43Å; W15-N22 VanDerWaalsContact CZ2-OD1 3.27Å; W15-N22 WeakPolarHBondContact CZ2-OD1 3.47Å; W15-N22 VanDerWaalsContact CZ3-CG 3.43Å; W15-N22 WeakPolarHBondContact CZ3-OD1 3.19Å
16E76.2Confident69.1Low87 Ų8773.4 Ų73.441%0.40741%0.409SS..  trans-78.3125.8164.1-174.8176.5-127.900109.4H18 S19 G20 A21 L23E16-H18 VanDerWaalsContact C-N 3.32Å; E16-H18 PolarHBondContact O-N 3.06Å; E16-S19 VanDerWaalsContact OE2-CB 3.3Å; E16-S19 WeakPolarHBondContact OE2-CB 3.35Å; E16-S19 PolarHBondContact OE2-OG 3.31Å; E16-G20 WeakPolarHBondContact O-CA 2.85Å; E16-G20 PolarHBondContact O-N 3.21Å; E16-A21 PolarHBondContact N-O 3.22Å; E16-L23 HydrophobicContact CB-CD1 3.95Å; E16-L23 HydrophobicContact CB-CD2 4.17Å; E16-L23 HydrophobicContact CB-CG 4Å
17L73.4Confident70.2Confident170 Ų17077.3 Ų77.389%0.8941%0.405SS*.THydrogen-bonded Turntrans-65.6-33.5-171.4-142.691.6000113.4
18H73.7Confident70.9Confident183 Ų18377.6 Ų77.685%0.84741%0.411SS*.THydrogen-bonded Turntrans-82.8-39.7-171.8-62.797.6000112.9E16E16-H18 VanDerWaalsContact C-N 3.32Å; E16-H18 PolarHBondContact O-N 3.06Å
19S78.3Confident71.7Confident70 Ų7071.2 Ų71.249%0.4937%0.37SS..THydrogen-bonded Turntrans-97.1-18.4-177.563.70000113E16 A21E16-S19 VanDerWaalsContact OE2-CB 3.3Å; E16-S19 WeakPolarHBondContact OE2-CB 3.35Å; E16-S19 PolarHBondContact OE2-OG 3.31Å; S19-A21 PolarHBondContact O-N 3.46Å; S19-A21 WeakPolarHBondContact OG-CB 3.1Å; S19-A21 PolarHBondContact OG-N 2.99Å
20G74.3Confident72.8Confident45 Ų4569 Ų6946%0.46436%0.358SS..  trans66.414.9-166.600000112.7W15 E16W15-G20 VanDerWaalsContact CE3-O 3.27Å; E16-G20 WeakPolarHBondContact O-CA 2.85Å; E16-G20 PolarHBondContact O-N 3.21Å
21A75.3Confident73.4Confident43 Ų4361.4 Ų61.436%0.35533%0.331SS..  trans-71.8140.5178.800000111W15 E16 S19 L23W15-A21 WeakPolarHBondContact CA-O 3.16Å; E16-A21 PolarHBondContact N-O 3.22Å; S19-A21 PolarHBondContact O-N 3.46Å; S19-A21 WeakPolarHBondContact OG-CB 3.1Å; S19-A21 PolarHBondContact OG-N 2.99Å; A21-L23 PolarHBondContact O-N 3.06Å
22N73.4Confident73.9Confident90 Ų9062.1 Ų62.148%0.48134%0.339SS..EExtended strand (participates in β ladder)trans-68.6116.7168.3-80.7-39.1000109.8I13 W15I13-N22 WeakPolarHBondContact CG2-OD1 3.38Å; W15-N22 VanDerWaalsContact CD2-OD1 3.3Å; W15-N22 WeakPolarHBondContact CH2-OD1 3.43Å; W15-N22 VanDerWaalsContact CZ2-OD1 3.27Å; W15-N22 WeakPolarHBondContact CZ2-OD1 3.47Å; W15-N22 VanDerWaalsContact CZ3-CG 3.43Å; W15-N22 WeakPolarHBondContact CZ3-OD1 3.19Å
23L73.8Confident74.3Confident98 Ų9867.7 Ų67.751%0.51338%0.375SS..EExtended strand (participates in β ladder)trans-87.3-51.8173.9-66.3175.1000110.5V14 E16 A21V14-L23 HydrophobicContact CG1-CB 4.38Å; V14-L23 HydrophobicContact CG1-CD1 4.29Å; V14-L23 WeakPolarHBondContact O-CB 3.45Å; V14-L23 PolarHBondContact O-N 3.19Å; E16-L23 HydrophobicContact CB-CD1 3.95Å; E16-L23 HydrophobicContact CB-CD2 4.17Å; E16-L23 HydrophobicContact CB-CG 4Å; A21-L23 PolarHBondContact O-N 3.06Å
24L75.6Confident75Confident53 Ų5374.7 Ų74.728%0.27740%0.401SS..EExtended strand (participates in β ladder)trans-144136.9-172.8-61.2162.6000110.6I13 V14 Y26 L59I13-L24 WeakPolarHBondContact CA-O 3.32Å; V14-L24 HydrophobicContact CB-CB 4.15Å; V14-L24 HydrophobicContact CG2-CB 4.39Å; V14-L24 PolarHBondContact N-O 3.34Å; V14-L24 PolarHBondContact O-N 2.96Å; L24-Y26 HydrophobicContact CB-CE2 3.8Å; L24-Y26 VanDerWaalsContact CD1-OH 3.25Å; L24-Y26 WeakPolarHBondContact CD1-OH 3.25Å; L24-L59 WeakPolarHBondContact CD1-O 3.35Å
25T74.2Confident75.6Confident55 Ų5573.7 Ų73.734%0.33740%0.396SS..EExtended strand (participates in β ladder)trans-121.2114.7175.3-56.90000109.4I13 Q64I13-T25 HydrophobicContact CG1-CG2 4.33Å; T25-Q64 PolarHBondContact O-OE1 2.83Å; T25-Q64 VanDerWaalsContact O-OE1 3.06Å
26Y75.1Confident76.4Confident1 Ų171.2 Ų71.20%0.00439%0.389CS..EExtended strand (participates in β ladder)trans-99.1111.2176.5-58-81.1000109.9S11 C12 V14 L24 L44 W57 L59 Q64S11-Y26 CarbonylContact C-O 3.55Å; S11-Y26 WeakPolarHBondContact CA-O 3.38Å; S11-Y26 WeakPolarHBondContact CB-O 3.32Å; C12-Y26 HydrophobicContact CB-CD2 4.41Å; C12-Y26 PolarHBondContact N-O 2.76Å; C12-Y26 PolarHBondContact O-N 2.8Å; V14-Y26 HydrophobicContact CG2-CE2 3.92Å; L24-Y26 HydrophobicContact CB-CE2 3.8Å; L24-Y26 VanDerWaalsContact CD1-OH 3.25Å; L24-Y26 WeakPolarHBondContact CD1-OH 3.25Å; Y26-L44 HydrophobicContact CD2-CD2 3.78Å; Y26-L44 HydrophobicContact CE2-CD2 4.05Å; Y26-W57 HydrophobicContact CD1-CB 3.53Å; Y26-W57 AromaticContact CD1-CD1 3.59Å; Y26-W57 HydrophobicContact CD1-CD2 4.09Å; Y26-W57 AromaticContact CD1-CG 3.46Å; Y26-W57 HydrophobicContact CD1-CG 3.46Å; Y26-W57 VanDerWaalsContact CD1-CG 3.46Å; Y26-W57 HydrophobicContact CE1-CB 3.58Å; Y26-W57 HydrophobicContact CE1-CG 4.06Å; Y26-W57 HydrophobicContact CG-CB 4.24Å; Y26-W57 HydrophobicContact CG-CD2 4.12Å; Y26-W57 AromaticContact CG-CG 3.98Å; Y26-W57 HydrophobicContact CG-CG 3.98Å; Y26-L59 HydrophobicContact CE2-CD2 3.87Å; Y26-L59 VanDerWaalsContact OH-CA 3.32Å; Y26-L59 WeakPolarHBondContact OH-CA 3.3Å; Y26-L59 WeakPolarHBondContact OH-CD2 3.36Å; Y26-L59 PolarHBondContact OH-O 3.3Å; Y26-Q64 HydrophobicContact CD1-CB 4.3Å; Y26-Q64 HydrophobicContact CD1-CG 4.34Å; Y26-Q64 HydrophobicContact CE1-CB 4.32Å; Y26-Q64 HydrophobicContact CE1-CG 4.07Å
27R69.2Low77.2Confident168 Ų16867.6 Ų67.663%0.63438%0.375SS*.EExtended strand (participates in β ladder)trans-73.1146.9-179.3-64.4-173.9-178-174.13111.6M9M9-R27 PolarHBondContact SD-NH1 2.76Å
28G65.9Low78Confident38 Ų3863.8 Ų63.839%0.39236%0.355SS..THydrogen-bonded Turntrans78.230.8178.300000113.2W10 Q48W10-G28 WeakPolarHBondContact O-CA 3.19Å; W10-G28 PolarHBondContact O-N 3.44Å; G28-Q48 VanDerWaalsContact O-CD 3.28Å; G28-Q48 PolarHBondContact O-OE1 3.21Å
29G64.5Low79Confident0 Ų055.5 Ų55.50%032%0.317CS..  trans-11749.3-172.700000113.9T3 W10 C12 A31 Q48T3-G29 WeakPolarHBondContact CG2-O 3.44Å; W10-G29 PolarHBondContact O-N 3.36Å; C12-G29 PolarHBondContact SG-O 2.89Å; G29-A31 PolarHBondContact O-N 3.49Å; G29-A31 VanDerWaalsContact O-N 3.11Å; G29-Q48 VanDerWaalsContact CA-OE1 3.28Å
30Q75.6Confident79.4Confident44 Ų4456.5 Ų56.521%0.20632%0.317CS..  trans-77.198.1174.2-110.9-94-11.500108.2W10 Q48 L49W10-Q30 HydrophobicContact CB-CB 4.06Å; W10-Q30 HydrophobicContact CB-CG 3.41Å; W10-Q30 VanDerWaalsContact CB-CG 3.41Å; W10-Q30 HydrophobicContact CD2-CG 4.4Å; W10-Q30 HydrophobicContact CG-CB 4.41Å; W10-Q30 HydrophobicContact CG-CG 3.48Å; W10-Q30 VanDerWaalsContact CG-CG 3.48Å; Q30-Q48 CarbonylContact O-C 3.56Å; Q30-Q48 WeakPolarHBondContact O-CA 3.44Å; Q30-Q48 PolarHBondContact O-OE1 2.81Å; Q30-L49 PolarHBondContact O-N 2.87Å
31A77.8Confident79.9Confident7 Ų756.8 Ų56.86%0.05832%0.319CS..EExtended strand (participates in β ladder)trans-96.2138175.700000111.1T3 G29 L36 A46 A47T3-A31 HydrophobicContact CG2-CB 3.54Å; G29-A31 PolarHBondContact O-N 3.49Å; G29-A31 VanDerWaalsContact O-N 3.11Å; A31-L36 HydrophobicContact CB-CD2 3.64Å; A31-L36 HydrophobicContact CB-CG 3.92Å; A31-A46 HydrophobicContact CB-CB 4.13Å; A31-A47 VanDerWaalsContact CA-O 3.26Å; A31-A47 WeakPolarHBondContact CA-O 3.41Å
32G75.5Confident80.5Confident19 Ų1959.6 Ų59.620%0.19633%0.325CS..EExtended strand (participates in β ladder)trans-67.6171.9168.400000112.2R34 G35G32-R34 PolarHBondContact O-N 3.04Å; G32-G35 PolarHBondContact O-N 3.07Å
33P81.3Confident81.3Confident117 Ų11758.3 Ų58.376%0.7631%0.314SS*.EExtended strand (participates in β ladder)trans-54.3137.3172.325.8-34.4000110G35P33-G35 PolarHBondContact O-N 3.13Å; P33-G35 VanDerWaalsContact O-N 3.1Å
34R88.2Confident82.1Confident156 Ų15653.7 Ų53.759%0.58929%0.289SS*.EExtended strand (participates in β ladder)trans60.315.6-177.7-54.4173.3172.6-178.9-6.9114.4G32 C77 L78 S117 C118G32-R34 PolarHBondContact O-N 3.04Å; R34-C77 HydrophobicContact CB-CB 4.11Å; R34-C77 CarbonylContact O-C 3.58Å; R34-C77 WeakPolarHBondContact O-CA 3.09Å; R34-L78 PolarHBondContact O-N 2.88Å; R34-S117 WeakPolarHBondContact CD-O 3.35Å; R34-S117 PolarHBondContact NH1-O 3.16Å; R34-C118 PolarHBondContact NH1-SG 3Å; R34-C118 VanDerWaalsContact NH1-SG 3.37Å
35G90.1Very high83Confident2 Ų251.3 Ų51.32%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-91.36.4177.500000114.6G32 P33 A46 A47G32-G35 PolarHBondContact O-N 3.07Å; P33-G35 PolarHBondContact O-N 3.13Å; P33-G35 VanDerWaalsContact O-N 3.1Å; G35-A46 CarbonylContact O-C 3.57Å; G35-A46 VanDerWaalsContact O-CA 3.28Å; G35-A46 WeakPolarHBondContact O-CA 3.32Å; G35-A47 PolarHBondContact O-N 3.33Å
36L92Very high83.8Confident49 Ų4948.7 Ų48.726%0.25726%0.261SS..EExtended strand (participates in β ladder)trans-112138.1179.1-68.5-179.1000111.1T3 A31 L44 L45 A46T3-L36 HydrophobicContact CG2-CD1 3.76Å; T3-L36 HydrophobicContact CG2-CD2 3.88Å; T3-L36 HydrophobicContact CG2-CG 4.06Å; A31-L36 HydrophobicContact CB-CD2 3.64Å; A31-L36 HydrophobicContact CB-CG 3.92Å; L36-L44 HydrophobicContact CD2-CD1 4.41Å; L36-L45 WeakPolarHBondContact CA-O 3.21Å; L36-A46 HydrophobicContact CD2-CB 3.55Å
37A93.1Very high84.6Confident12 Ų1248.7 Ų48.710%0.09926%0.262CS..EExtended strand (participates in β ladder)trans-144151.8171.600000111.2L45 L78 A80A37-L45 HydrophobicContact CB-CB 4.37Å; A37-L45 PolarHBondContact N-O 2.6Å; A37-L45 PolarHBondContact O-N 3.12Å; A37-L78 HydrophobicContact CB-CD2 4.21Å; A37-L78 HydrophobicContact CB-CG 4.13Å; A37-A80 HydrophobicContact CB-CB 4.36Å
38L92.2Very high85.5Confident89 Ų8941.2 Ų41.247%0.46623%0.234SC..EExtended strand (participates in β ladder)trans-103.4131.7168.3-79.1169.5000108.8V1 Y43 L44 L59V1-L38 HydrophobicContact CG2-CD1 4.28Å; V1-L38 HydrophobicContact CG2-CD2 4.37Å; V1-L38 HydrophobicContact CG2-CG 4.41Å; L38-Y43 WeakPolarHBondContact CA-O 2.83Å; L38-L44 HydrophobicContact CD2-CD1 4.42Å; L38-L59 HydrophobicContact CD2-CD1 3.81Å
39L92.8Very high86.4Confident10 Ų1044.8 Ų44.85%0.05224%0.243CC..EExtended strand (participates in β ladder)trans-109116.2174.7172.870.5000108.2G41 E42 Y43 L45 A80 V87 V100L39-G41 PolarHBondContact O-N 3.09Å; L39-E42 PolarHBondContact O-N 2.63Å; L39-Y43 PolarHBondContact N-O 3.27Å; L39-Y43 PolarHBondContact O-N 2.55Å; L39-L45 HydrophobicContact CB-CD1 4.12Å; L39-L45 HydrophobicContact CB-CG 4.32Å; L39-A80 HydrophobicContact CB-CB 4.12Å; L39-A80 HydrophobicContact CD1-CB 4Å; L39-V87 HydrophobicContact CD2-CG2 4.49Å; L39-V100 HydrophobicContact CD1-CG2 3.9Å; L39-V100 HydrophobicContact CD2-CG1 3.87Å; L39-V100 HydrophobicContact CD2-CG2 3.95Å
40N86.9Confident87.3Confident91 Ų9148 Ų4849%0.48728%0.276SS..THydrogen-bonded Turntrans55.311.3-176.6-66.2-18.1000116.6E42 G84N40-E42 PolarHBondContact O-N 3.03Å; N40-G84 WeakPolarHBondContact OD1-CA 3.27Å; N40-G84 PolarHBondContact OD1-N 3.14Å
41G85.3Confident88Confident50 Ų5051.6 Ų51.652%0.51529%0.291SS..THydrogen-bonded Turntrans68.75.9-170.800000113.9L39 L59L39-G41 PolarHBondContact O-N 3.09Å; G41-L59 WeakPolarHBondContact O-CD1 3.14Å
42E88.2Confident88.7Confident103 Ų10354.5 Ų54.548%0.48131%0.306SS..THydrogen-bonded Turntrans-107.1-31.4-180-66.2-174.7160.800111.9L39 N40 L59L39-E42 PolarHBondContact O-N 2.63Å; N40-E42 PolarHBondContact O-N 3.03Å; E42-L59 WeakPolarHBondContact O-CB 3.33Å; E42-L59 WeakPolarHBondContact O-CG 3.18Å; E42-L59 PolarHBondContact O-N 3.06Å
43Y90.3Very high89.4Confident62 Ų6255.5 Ų55.524%0.24330%0.304CS..EExtended strand (participates in β ladder)trans-116.9134.1-179.3-69.9-90.6000111.2L38 L39 W57 E58L38-Y43 WeakPolarHBondContact CA-O 2.83Å; L39-Y43 PolarHBondContact N-O 3.27Å; L39-Y43 PolarHBondContact O-N 2.55Å; Y43-W57 CarbonylContact C-O 3.51Å; Y43-W57 VanDerWaalsContact CA-O 3.3Å; Y43-W57 WeakPolarHBondContact CA-O 2.98Å; Y43-E58 HydrophobicContact CD1-CB 4.06Å; Y43-E58 HydrophobicContact CD1-CG 4.48Å; Y43-E58 HydrophobicContact CE1-CB 3.64Å; Y43-E58 HydrophobicContact CE1-CG 3.91Å
44L91.5Very high90Very high1 Ų149.9 Ų49.91%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-93.3124.7165.817661.1000109.1V1 C12 Y26 L36 L38 A56 W57 L59V1-L44 HydrophobicContact CB-CD1 4.31Å; V1-L44 HydrophobicContact CG1-CD1 3.74Å; V1-L44 HydrophobicContact CG1-CD2 3.76Å; V1-L44 HydrophobicContact CG1-CG 4.41Å; V1-L44 HydrophobicContact CG2-CD1 4.29Å; C12-L44 HydrophobicContact CB-CD2 3.72Å; Y26-L44 HydrophobicContact CD2-CD2 3.78Å; Y26-L44 HydrophobicContact CE2-CD2 4.05Å; L36-L44 HydrophobicContact CD2-CD1 4.41Å; L38-L44 HydrophobicContact CD2-CD1 4.42Å; L44-A56 CarbonylContact O-C 3.59Å; L44-A56 WeakPolarHBondContact O-CA 3.42Å; L44-W57 HydrophobicContact CB-CE3 4.35Å; L44-W57 HydrophobicContact CD2-CE3 4.15Å; L44-W57 HydrophobicContact CD2-CZ3 4.38Å; L44-W57 HydrophobicContact CG-CE3 4.09Å; L44-W57 HydrophobicContact CG-CZ3 4.38Å; L44-W57 PolarHBondContact N-O 2.79Å; L44-W57 PolarHBondContact O-N 2.94Å; L44-L59 HydrophobicContact CB-CD2 3.9Å
45L92.8Very high90.2Very high3 Ų342.5 Ų42.52%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-106.1136.7172.6-51.3179.1000110.2L36 A37 L39 I54 S55 A56 L78 A80 V87L36-L45 WeakPolarHBondContact CA-O 3.21Å; A37-L45 HydrophobicContact CB-CB 4.37Å; A37-L45 PolarHBondContact N-O 2.6Å; A37-L45 PolarHBondContact O-N 3.12Å; L39-L45 HydrophobicContact CB-CD1 4.12Å; L39-L45 HydrophobicContact CB-CG 4.32Å; L45-I54 HydrophobicContact CB-CG2 4.08Å; L45-S55 CarbonylContact C-O 3.58Å; L45-S55 VanDerWaalsContact CA-O 3.28Å; L45-S55 WeakPolarHBondContact CA-O 3.32Å; L45-A56 HydrophobicContact CD2-CB 3.43Å; L45-A56 VanDerWaalsContact CD2-CB 3.43Å; L45-L78 HydrophobicContact CB-CD2 3.63Å; L45-A80 HydrophobicContact CD1-CB 4.35Å; L45-V87 HydrophobicContact CD1-CG1 3.99Å; L45-V87 HydrophobicContact CD1-CG2 3.63Å
46A92.3Very high90.2Very high0 Ų042.7 Ų42.70%024%0.241CC..EExtended strand (participates in β ladder)trans-139.7117.8175.400000112.8A31 G35 L36 Q48 I54 S55 W57A31-A46 HydrophobicContact CB-CB 4.13Å; G35-A46 CarbonylContact O-C 3.57Å; G35-A46 VanDerWaalsContact O-CA 3.28Å; G35-A46 WeakPolarHBondContact O-CA 3.32Å; L36-A46 HydrophobicContact CD2-CB 3.55Å; A46-Q48 PolarHBondContact O-N 2.93Å; A46-Q48 PolarHBondContact O-NE2 2.89Å; A46-I54 WeakPolarHBondContact O-CA 3.17Å; A46-S55 PolarHBondContact N-O 3.05Å; A46-S55 PolarHBondContact O-N 3.1Å; A46-W57 HydrophobicContact CB-CH2 3.78Å; A46-W57 HydrophobicContact CB-CZ3 3.44Å; A46-W57 VanDerWaalsContact CB-CZ3 3.44Å
47A91.4Very high90.1Very high2 Ų240.6 Ų40.62%0.01723%0.23CC..EExtended strand (participates in β ladder)trans-65.9110.916700000110.3A31 G35 V75A31-A47 VanDerWaalsContact CA-O 3.26Å; A31-A47 WeakPolarHBondContact CA-O 3.41Å; G35-A47 PolarHBondContact O-N 3.33Å; A47-V75 HydrophobicContact CB-CB 3.69Å; A47-V75 HydrophobicContact CB-CG1 3.5Å; A47-V75 VanDerWaalsContact CB-CG1 3.5Å
48Q87.9Confident89.9Confident11 Ų1142.9 Ų42.95%0.05124%0.238CC..EExtended strand (participates in β ladder)trans-77.9125.1-174.4-65.8-50.4-52.100112.3G28 G29 Q30 A46 G50 K51 Y53 S55G28-Q48 VanDerWaalsContact O-CD 3.28Å; G28-Q48 PolarHBondContact O-OE1 3.21Å; G29-Q48 VanDerWaalsContact CA-OE1 3.28Å; Q30-Q48 CarbonylContact O-C 3.56Å; Q30-Q48 WeakPolarHBondContact O-CA 3.44Å; Q30-Q48 PolarHBondContact O-OE1 2.81Å; A46-Q48 PolarHBondContact O-N 2.93Å; A46-Q48 PolarHBondContact O-NE2 2.89Å; Q48-G50 PolarHBondContact O-N 3.49Å; Q48-K51 HydrophobicContact CB-CB 3.82Å; Q48-K51 HydrophobicContact CB-CG 4.12Å; Q48-K51 PolarHBondContact O-N 2.92Å; Q48-K51 VanDerWaalsContact O-N 3.15Å; Q48-Y53 HydrophobicContact CB-CE2 4.41Å; Q48-Y53 HydrophobicContact CG-CD2 4.18Å; Q48-Y53 HydrophobicContact CG-CE2 3.62Å; Q48-Y53 PolarHBondContact N-O 3.21Å; Q48-S55 WeakPolarHBondContact CG-OG 3.27Å; Q48-S55 PolarHBondContact NE2-OG 3Å
49L84.3Confident89.5Confident112 Ų11240 Ų4059%0.58622%0.224SC*.THydrogen-bonded Turntrans-63.6129.2178.6-166.771.5000110.5Q30 K51Q30-L49 PolarHBondContact O-N 2.87Å; L49-K51 PolarHBondContact O-N 2.83Å
50G84.3Confident89Confident68 Ų6847.6 Ų47.670%0.70126%0.259SS*.THydrogen-bonded Turntrans70.610.1-178.900000114.6Q48Q48-G50 PolarHBondContact O-N 3.49Å
51K89.9Confident88.6Confident119 Ų11948 Ų4852%0.51725%0.254SS..SBendtrans-125.1157.1172.4-54.7-65.5177.7-171.10109.9Q48 L49 Y53Q48-K51 HydrophobicContact CB-CB 3.82Å; Q48-K51 HydrophobicContact CB-CG 4.12Å; Q48-K51 PolarHBondContact O-N 2.92Å; Q48-K51 VanDerWaalsContact O-N 3.15Å; L49-K51 PolarHBondContact O-N 2.83Å; K51-Y53 HydrophobicContact CB-CD1 3.76Å; K51-Y53 HydrophobicContact CB-CE1 3.56Å; K51-Y53 HydrophobicContact CD-CE1 4.29Å; K51-Y53 HydrophobicContact CG-CE1 3.82Å; K51-Y53 PolarHBondContact O-N 2.9Å
52N92.1Very high88Confident68 Ų6855.5 Ų55.536%0.36427%0.272SS..SBendtrans-103.746.3-178.7-58.2-5.2000110.4C71 P74N52-C71 WeakPolarHBondContact CB-O 3.24Å; N52-C71 PolarHBondContact O-N 3.03Å; N52-C71 VanDerWaalsContact O-O 3.09Å; N52-P74 WeakPolarHBondContact OD1-CD 3.13Å
53Y91.8Very high87.5Confident40 Ų4054.7 Ų54.716%0.15727%0.271CS..EExtended strand (participates in β ladder)trans-150155.1174.569.2-94.1000111.4Q48 K51 S55 K68 I69Q48-Y53 HydrophobicContact CB-CE2 4.41Å; Q48-Y53 HydrophobicContact CG-CD2 4.18Å; Q48-Y53 HydrophobicContact CG-CE2 3.62Å; Q48-Y53 PolarHBondContact N-O 3.21Å; K51-Y53 HydrophobicContact CB-CD1 3.76Å; K51-Y53 HydrophobicContact CB-CE1 3.56Å; K51-Y53 HydrophobicContact CD-CE1 4.29Å; K51-Y53 HydrophobicContact CG-CE1 3.82Å; K51-Y53 PolarHBondContact O-N 2.9Å; Y53-S55 WeakPolarHBondContact CE2-OG 3.43Å; Y53-K68 HydrophobicContact CD2-CB 4Å; Y53-K68 HydrophobicContact CD2-CD 3.98Å; Y53-K68 HydrophobicContact CD2-CG 3.76Å; Y53-K68 HydrophobicContact CE2-CD 3.79Å; Y53-K68 HydrophobicContact CE2-CG 3.82Å; Y53-K68 HydrophobicContact CG-CB 4.45Å; Y53-K68 HydrophobicContact CG-CD 4.44Å; Y53-I69 CarbonylContact C-O 3.51Å; Y53-I69 WeakPolarHBondContact CA-O 3.2Å; Y53-I69 WeakPolarHBondContact CB-O 3.48Å
54I92.8Very high86.8Confident0 Ų055 Ų550%027%0.274CS..EExtended strand (participates in β ladder)trans-98.8127.4170.4-60.5151.4000107.3L45 A46 K68 I69 V75 L78 A89L45-I54 HydrophobicContact CB-CG2 4.08Å; A46-I54 WeakPolarHBondContact O-CA 3.17Å; I54-K68 WeakPolarHBondContact O-CA 3.32Å; I54-I69 HydrophobicContact CB-CB 4.27Å; I54-I69 PolarHBondContact N-O 2.9Å; I54-I69 PolarHBondContact O-N 2.94Å; I54-V75 HydrophobicContact CD1-CG2 4.32Å; I54-V75 HydrophobicContact CG1-CG2 4.06Å; I54-L78 HydrophobicContact CD1-CD1 3.54Å; I54-L78 HydrophobicContact CG1-CD1 4.1Å; I54-L78 HydrophobicContact CG2-CD1 4.34Å; I54-L78 HydrophobicContact CG2-CD2 3.78Å; I54-A89 HydrophobicContact CD1-CB 3.88Å
55S91.9Very high86.4Confident0 Ų059.5 Ų59.50%030%0.298CS..EExtended strand (participates in β ladder)trans-81.2135.7170.2-58.20000109.5L45 A46 Q48 Y53 Q66 Q67L45-S55 CarbonylContact C-O 3.58Å; L45-S55 VanDerWaalsContact CA-O 3.28Å; L45-S55 WeakPolarHBondContact CA-O 3.32Å; A46-S55 PolarHBondContact N-O 3.05Å; A46-S55 PolarHBondContact O-N 3.1Å; Q48-S55 WeakPolarHBondContact CG-OG 3.27Å; Q48-S55 PolarHBondContact NE2-OG 3Å; Y53-S55 WeakPolarHBondContact CE2-OG 3.43Å; S55-Q66 PolarHBondContact OG-NE2 3.09Å; S55-Q67 CarbonylContact C-O 3.53Å; S55-Q67 WeakPolarHBondContact CA-O 3.49Å
56A91.3Very high86Confident6 Ų662.5 Ų62.55%0.0531%0.312CS..EExtended strand (participates in β ladder)trans-120.1129169.700000109.4L44 L45 Q67L44-A56 CarbonylContact O-C 3.59Å; L44-A56 WeakPolarHBondContact O-CA 3.42Å; L45-A56 HydrophobicContact CD2-CB 3.43Å; L45-A56 VanDerWaalsContact CD2-CB 3.43Å; A56-Q67 HydrophobicContact CB-CB 4.23Å; A56-Q67 PolarHBondContact N-O 3.17Å; A56-Q67 PolarHBondContact O-N 3.49Å
57W89.6Confident85.9Confident5 Ų568.2 Ų68.22%0.01934%0.339CS..EExtended strand (participates in β ladder)trans-125135.9173.5-55.8-91.4000110Y26 Y43 L44 A46 Q66Y26-W57 HydrophobicContact CD1-CB 3.53Å; Y26-W57 AromaticContact CD1-CD1 3.59Å; Y26-W57 HydrophobicContact CD1-CD2 4.09Å; Y26-W57 AromaticContact CD1-CG 3.46Å; Y26-W57 HydrophobicContact CD1-CG 3.46Å; Y26-W57 VanDerWaalsContact CD1-CG 3.46Å; Y26-W57 HydrophobicContact CE1-CB 3.58Å; Y26-W57 HydrophobicContact CE1-CG 4.06Å; Y26-W57 HydrophobicContact CG-CB 4.24Å; Y26-W57 HydrophobicContact CG-CD2 4.12Å; Y26-W57 AromaticContact CG-CG 3.98Å; Y26-W57 HydrophobicContact CG-CG 3.98Å; Y43-W57 CarbonylContact C-O 3.51Å; Y43-W57 VanDerWaalsContact CA-O 3.3Å; Y43-W57 WeakPolarHBondContact CA-O 2.98Å; L44-W57 HydrophobicContact CB-CE3 4.35Å; L44-W57 HydrophobicContact CD2-CE3 4.15Å; L44-W57 HydrophobicContact CD2-CZ3 4.38Å; L44-W57 HydrophobicContact CG-CE3 4.09Å; L44-W57 HydrophobicContact CG-CZ3 4.38Å; L44-W57 PolarHBondContact N-O 2.79Å; L44-W57 PolarHBondContact O-N 2.94Å; A46-W57 HydrophobicContact CB-CH2 3.78Å; A46-W57 HydrophobicContact CB-CZ3 3.44Å; A46-W57 VanDerWaalsContact CB-CZ3 3.44Å; W57-Q66 HydrophobicContact CZ2-CG 4.42Å
58E89.6Confident85.8Confident60 Ų6073.4 Ų73.428%0.2836%0.361SS..EExtended strand (participates in β ladder)trans-77.4128.9171-165.9-179.2151.900109.7Y43 R61Y43-E58 HydrophobicContact CD1-CB 4.06Å; Y43-E58 HydrophobicContact CD1-CG 4.48Å; Y43-E58 HydrophobicContact CE1-CB 3.64Å; Y43-E58 HydrophobicContact CE1-CG 3.91Å; E58-R61 HydrophobicContact CB-CB 3.94Å; E58-R61 HydrophobicContact CG-CB 4.1Å; E58-R61 WeakPolarHBondContact OE2-CD 3.11Å; E58-R61 IonicContact OE2-NH1 2.8Å
59L83.7Confident86Confident30 Ų3075 Ų7516%0.15737%0.37CS..SBendtrans-72-35.8-170.6-71.6179.8000113V14 L24 Y26 L38 G41 E42 L44V14-L59 HydrophobicContact CG2-CD2 3.97Å; L24-L59 WeakPolarHBondContact CD1-O 3.35Å; Y26-L59 HydrophobicContact CE2-CD2 3.87Å; Y26-L59 VanDerWaalsContact OH-CA 3.32Å; Y26-L59 WeakPolarHBondContact OH-CA 3.3Å; Y26-L59 WeakPolarHBondContact OH-CD2 3.36Å; Y26-L59 PolarHBondContact OH-O 3.3Å; L38-L59 HydrophobicContact CD2-CD1 3.81Å; G41-L59 WeakPolarHBondContact O-CD1 3.14Å; E42-L59 WeakPolarHBondContact O-CB 3.33Å; E42-L59 WeakPolarHBondContact O-CG 3.18Å; E42-L59 PolarHBondContact O-N 3.06Å; L44-L59 HydrophobicContact CB-CD2 3.9Å
60Q81Confident86.4Confident169 Ų16975.9 Ų75.979%0.7937%0.372SS*.SBendtrans-89.1-6-174.5-60-170.512.400113.5
61R78.9Confident86.8Confident100 Ų10073.2 Ų73.238%0.37734%0.343SS..  trans-89.1122.8-169.3-156.3179.5162.2153.71111.8E58 D63 Q64E58-R61 HydrophobicContact CB-CB 3.94Å; E58-R61 HydrophobicContact CG-CB 4.1Å; E58-R61 WeakPolarHBondContact OE2-CD 3.11Å; E58-R61 IonicContact OE2-NH1 2.8Å; R61-D63 VanDerWaalsContact C-N 3.32Å; R61-D63 WeakPolarHBondContact CD-OD1 3.45Å; R61-D63 WeakPolarHBondContact CG-OD1 3.36Å; R61-D63 IonicContact CZ-OD1 3.08Å; R61-D63 IonicContact CZ-OD2 3.73Å; R61-D63 VanDerWaalsContact CZ-OD2 3.22Å; R61-D63 IonicContact NE-OD1 3Å; R61-D63 PolarHBondContact NE-OD1 3.41Å; R61-D63 IonicContact NE-OD2 2.76Å; R61-D63 PolarHBondContact NE-OD2 2.82Å; R61-D63 IonicContact NH2-OD2 3.84Å; R61-D63 PolarHBondContact NH2-OD2 3.43Å; R61-D63 PolarHBondContact O-N 2.84Å; R61-Q64 PolarHBondContact O-N 3.06Å
62K73.1Confident87Confident207 Ų20772.1 Ų72.190%0.935%0.347SS*.THydrogen-bonded Turntrans-65.3-30.3-176.4-70.2-173178.7-179.10114.4Q64K62-Q64 VanDerWaalsContact C-N 3.26Å; K62-Q64 PolarHBondContact O-N 2.64Å
63D78.2Confident87.1Confident85 Ų8569.2 Ų69.246%0.45533%0.334SS..THydrogen-bonded Turntrans-79.7-8.2179.865.610.2000113.2R61 L65R61-D63 VanDerWaalsContact C-N 3.32Å; R61-D63 WeakPolarHBondContact CD-OD1 3.45Å; R61-D63 WeakPolarHBondContact CG-OD1 3.36Å; R61-D63 IonicContact CZ-OD1 3.08Å; R61-D63 IonicContact CZ-OD2 3.73Å; R61-D63 VanDerWaalsContact CZ-OD2 3.22Å; R61-D63 IonicContact NE-OD1 3Å; R61-D63 PolarHBondContact NE-OD1 3.41Å; R61-D63 IonicContact NE-OD2 2.76Å; R61-D63 PolarHBondContact NE-OD2 2.82Å; R61-D63 IonicContact NH2-OD2 3.84Å; R61-D63 PolarHBondContact NH2-OD2 3.43Å; R61-D63 PolarHBondContact O-N 2.84Å; D63-L65 HydrophobicContact CB-CG 4.48Å; D63-L65 PolarHBondContact O-N 3.4Å; D63-L65 VanDerWaalsContact O-N 3.1Å; D63-L65 PolarHBondContact OD1-N 3.33Å; D63-L65 WeakPolarHBondContact OD2-CD1 3.43Å
64Q74.8Confident87.1Confident68 Ų6871.1 Ų71.132%0.31835%0.351SS..  trans46.538.9178.5-59.9-177.6-1.100113.7T25 Y26 R61 K62 Q66T25-Q64 PolarHBondContact O-OE1 2.83Å; T25-Q64 VanDerWaalsContact O-OE1 3.06Å; Y26-Q64 HydrophobicContact CD1-CB 4.3Å; Y26-Q64 HydrophobicContact CD1-CG 4.34Å; Y26-Q64 HydrophobicContact CE1-CB 4.32Å; Y26-Q64 HydrophobicContact CE1-CG 4.07Å; R61-Q64 PolarHBondContact O-N 3.06Å; K62-Q64 VanDerWaalsContact C-N 3.26Å; K62-Q64 PolarHBondContact O-N 2.64Å; Q64-Q66 PolarHBondContact O-N 3.42Å
65L82.9Confident87.3Confident97 Ų9772 Ų7251%0.50836%0.357SS..PPolyproline II helixtrans-57.5126.8-179.5-80.6172.7000111.5D63D63-L65 HydrophobicContact CB-CG 4.48Å; D63-L65 PolarHBondContact O-N 3.4Å; D63-L65 VanDerWaalsContact O-N 3.1Å; D63-L65 PolarHBondContact OD1-N 3.33Å; D63-L65 WeakPolarHBondContact OD2-CD1 3.43Å
66Q84.9Confident87.4Confident65 Ų6574.4 Ų74.430%0.30437%0.371SS..EExtended strand (participates in β ladder)trans-87.8118.2175.7-176.4-171.23300109.6S55 W57 Q64 K68S55-Q66 PolarHBondContact OG-NE2 3.09Å; W57-Q66 HydrophobicContact CZ2-CG 4.42Å; Q64-Q66 PolarHBondContact O-N 3.42Å; Q66-K68 VanDerWaalsContact CD-CE 3.5Å; Q66-K68 HydrophobicContact CG-CG 4.3Å
67Q88.9Confident87.6Confident120 Ų12074.1 Ų74.156%0.56137%0.369SS*.EExtended strand (participates in β ladder)trans-91.5151.1162.7-66.1-179.3-2.100109.9S55 A56S55-Q67 CarbonylContact C-O 3.53Å; S55-Q67 WeakPolarHBondContact CA-O 3.49Å; A56-Q67 HydrophobicContact CB-CB 4.23Å; A56-Q67 PolarHBondContact N-O 3.17Å; A56-Q67 PolarHBondContact O-N 3.49Å
68K90.8Very high87.9Confident111 Ų11174.3 Ų74.348%0.48337%0.37SS..EExtended strand (participates in β ladder)trans-126.9122-176.8-64.3-179.8-177.81710110.2Y53 I54 Q66Y53-K68 HydrophobicContact CD2-CB 4Å; Y53-K68 HydrophobicContact CD2-CD 3.98Å; Y53-K68 HydrophobicContact CD2-CG 3.76Å; Y53-K68 HydrophobicContact CE2-CD 3.79Å; Y53-K68 HydrophobicContact CE2-CG 3.82Å; Y53-K68 HydrophobicContact CG-CB 4.45Å; Y53-K68 HydrophobicContact CG-CD 4.44Å; I54-K68 WeakPolarHBondContact O-CA 3.32Å; Q66-K68 VanDerWaalsContact CD-CE 3.5Å; Q66-K68 HydrophobicContact CG-CG 4.3Å
69I91.6Very high88.3Confident46 Ų4672.6 Ų72.624%0.23636%0.364CS..EExtended strand (participates in β ladder)trans-96.9109.4172.1-54.9168.6000107.1Y53 I54 W98Y53-I69 CarbonylContact C-O 3.51Å; Y53-I69 WeakPolarHBondContact CA-O 3.2Å; Y53-I69 WeakPolarHBondContact CB-O 3.48Å; I54-I69 HydrophobicContact CB-CB 4.27Å; I54-I69 PolarHBondContact N-O 2.9Å; I54-I69 PolarHBondContact O-N 2.94Å; I69-W98 HydrophobicContact CG2-CD2 4.5Å
70M92.7Very high88.9Confident130 Ų13071.7 Ų71.764%0.6436%0.361SS*.EExtended strand (participates in β ladder)trans-71131.4-178.5-63.7-54.2-57.300110.6
71C93.1Very high89.6Confident12 Ų1263.8 Ų63.88%0.08132%0.324CS..  trans-113.9151.8178.9-610000109.4N52 G73 V75N52-C71 WeakPolarHBondContact CB-O 3.24Å; N52-C71 PolarHBondContact O-N 3.03Å; N52-C71 VanDerWaalsContact O-O 3.09Å; C71-G73 PolarHBondContact O-N 2.91Å; C71-V75 HydrophobicContact CB-CG2 3.89Å; C71-V75 VanDerWaalsContact SG-CG2 3.56Å
72P92.9Very high90.4Very high95 Ų9562.5 Ų62.562%0.61733%0.329SS*.SBendtrans-72.8-9179.525.6-28.7000113.5V91 H96P72-V91 HydrophobicContact CG-CG1 4.4Å; P72-H96 WeakPolarHBondContact CG-NE2 3.36Å
73G94Very high91.4Very high7 Ų756 Ų567%0.07230%0.304CS..SBendtrans-165.2-174.3178.800000112.6C71 V75C71-G73 PolarHBondContact O-N 2.91Å; G73-V75 PolarHBondContact O-N 2.88Å
74P93.1Very high92.1Very high80 Ų8052.1 Ų52.152%0.51928%0.284SS..  trans-61.3132175.4-21.833.5000111.1N52N52-P74 WeakPolarHBondContact OD1-CD 3.13Å
75V95.4Very high93.1Very high20 Ų2053 Ų5312%0.12129%0.29CS..EExtended strand (participates in β ladder)trans-88.1121.6179176.30000109.5A47 I54 C71 G73 C77 A89 G90 V91A47-V75 HydrophobicContact CB-CB 3.69Å; A47-V75 HydrophobicContact CB-CG1 3.5Å; A47-V75 VanDerWaalsContact CB-CG1 3.5Å; I54-V75 HydrophobicContact CD1-CG2 4.32Å; I54-V75 HydrophobicContact CG1-CG2 4.06Å; C71-V75 HydrophobicContact CB-CG2 3.89Å; C71-V75 VanDerWaalsContact SG-CG2 3.56Å; G73-V75 PolarHBondContact O-N 2.88Å; V75-C77 WeakPolarHBondContact CG1-O 3.45Å; V75-A89 HydrophobicContact CG1-CB 3.86Å; V75-A89 HydrophobicContact CG2-CB 4.31Å; V75-G90 CarbonylContact C-O 3.6Å; V75-G90 WeakPolarHBondContact CA-O 3.46Å; V75-V91 HydrophobicContact CG2-CG2 4.05Å
76T94.7Very high93.7Very high49 Ų4951 Ų5130%0.30128%0.276SS..EExtended strand (participates in β ladder)trans-90.4-29.6-177.6540000112.9G90 V116T76-G90 PolarHBondContact N-O 2.91Å; T76-G90 PolarHBondContact OG1-O 2.79Å; T76-V116 WeakPolarHBondContact CB-O 3.18Å; T76-V116 PolarHBondContact OG1-O 2.87Å
77C95.8Very high94.3Very high1 Ų148.1 Ų48.11%0.00726%0.263CS..EExtended strand (participates in β ladder)trans-156.2152.8178.453.90000110.5R34 V75 A89 G90R34-C77 HydrophobicContact CB-CB 4.11Å; R34-C77 CarbonylContact O-C 3.58Å; R34-C77 WeakPolarHBondContact O-CA 3.09Å; V75-C77 WeakPolarHBondContact CG1-O 3.45Å; C77-A89 WeakPolarHBondContact O-CA 3.4Å; C77-G90 PolarHBondContact O-N 3Å
78L96.2Very high94.7Very high9 Ų942.4 Ų42.45%0.04724%0.236CC..EExtended strand (participates in β ladder)trans-141.7140.5-173-176.571000110.2R34 A37 L45 I54 V87 L88 A89R34-L78 PolarHBondContact O-N 2.88Å; A37-L78 HydrophobicContact CB-CD2 4.21Å; A37-L78 HydrophobicContact CB-CG 4.13Å; L45-L78 HydrophobicContact CB-CD2 3.63Å; I54-L78 HydrophobicContact CD1-CD1 3.54Å; I54-L78 HydrophobicContact CG1-CD1 4.1Å; I54-L78 HydrophobicContact CG2-CD1 4.34Å; I54-L78 HydrophobicContact CG2-CD2 3.78Å; L78-V87 HydrophobicContact CD1-CG1 3.76Å; L78-L88 WeakPolarHBondContact CA-O 3.45Å; L78-L88 WeakPolarHBondContact CD1-O 3.42Å; L78-A89 HydrophobicContact CD1-CB 4.03Å
79T96.8Very high95Very high23 Ų2337.1 Ų37.114%0.14121%0.213CC..EExtended strand (participates in β ladder)trans-147.8156.1169.8-166.30000110.6L88 L119 F121T79-L88 HydrophobicContact CG2-CB 3.66Å; T79-L88 HydrophobicContact CG2-CD1 4.08Å; T79-L88 HydrophobicContact CG2-CG 4.47Å; T79-L88 PolarHBondContact N-O 3.37Å; T79-L88 PolarHBondContact O-N 3.1Å; T79-L119 HydrophobicContact CG2-CB 3.66Å; T79-F121 HydrophobicContact CG2-CD2 3.69Å; T79-F121 HydrophobicContact CG2-CE2 3.91Å
80A96.9Very high95.3Very high12 Ų1235 Ų3510%0.09920%0.202CC..EExtended strand (participates in β ladder)trans-120.9147175.300000108.9A37 L39 L45 Y86 F121A37-A80 HydrophobicContact CB-CB 4.36Å; L39-A80 HydrophobicContact CB-CB 4.12Å; L39-A80 HydrophobicContact CD1-CB 4Å; L45-A80 HydrophobicContact CD1-CB 4.35Å; A80-Y86 WeakPolarHBondContact CA-O 3.45Å; A80-F121 VanDerWaalsContact C-CD2 3.45Å; A80-F121 WeakPolarHBondContact O-CD2 3.49Å
81S96.1Very high95.4Very high2 Ų229.4 Ų29.41%0.01418%0.175CC..  trans-71.2141.2179.762.60000110.8N83 G84 L85 Y86 F121S81-N83 WeakPolarHBondContact CB-OD1 3.37Å; S81-N83 PolarHBondContact O-N 2.81Å; S81-N83 PolarHBondContact OG-OD1 2.83Å; S81-G84 PolarHBondContact O-N 2.99Å; S81-G84 PolarHBondContact OG-N 2.85Å; S81-L85 PolarHBondContact OG-N 2.79Å; S81-L85 VanDerWaalsContact OG-N 3.14Å; S81-Y86 PolarHBondContact N-O 3.03Å; S81-Y86 PolarHBondContact OG-N 2.84Å; S81-Y86 PolarHBondContact OG-O 2.87Å; S81-F121 VanDerWaalsContact CA-CD2 3.44Å
82P94.8Very high95.6Very high74 Ų7430.8 Ų30.848%0.48119%0.188SC..THydrogen-bonded Turntrans-57.2-30.6176.4-28.233.6000114.2G84 F121 S125P82-G84 VanDerWaalsContact C-N 3.26Å; P82-G84 PolarHBondContact O-N 2.98Å; P82-F121 HydrophobicContact CG-CB 4.4Å; P82-S125 VanDerWaalsContact CD-OG 3.27Å; P82-S125 WeakPolarHBondContact CD-OG 3.34Å
83N94.3Very high95.8Very high70 Ų7030.8 Ų30.837%0.37418%0.18SC..THydrogen-bonded Turntrans-78.2-4.217569.24.2000114.3S81 L85 S125S81-N83 WeakPolarHBondContact CB-OD1 3.37Å; S81-N83 PolarHBondContact O-N 2.81Å; S81-N83 PolarHBondContact OG-OD1 2.83Å; N83-L85 VanDerWaalsContact C-N 3.29Å; N83-L85 HydrophobicContact CB-CG 4.47Å; N83-L85 PolarHBondContact O-N 2.82Å; N83-L85 PolarHBondContact OD1-N 3.02Å; N83-L85 VanDerWaalsContact OD1-N 3.09Å; N83-S125 VanDerWaalsContact CG-CB 3.49Å; N83-S125 PolarHBondContact N-OG 2.92Å; N83-S125 VanDerWaalsContact ND2-CB 3.32Å; N83-S125 WeakPolarHBondContact ND2-CB 3.46Å
84G94.4Very high96Very high3 Ų331.4 Ų31.43%0.03118%0.183CC..SBendtrans78.83.1176.400000117.2N40 S81 P82 V100N40-G84 WeakPolarHBondContact OD1-CA 3.27Å; N40-G84 PolarHBondContact OD1-N 3.14Å; S81-G84 PolarHBondContact O-N 2.99Å; S81-G84 PolarHBondContact OG-N 2.85Å; P82-G84 VanDerWaalsContact C-N 3.26Å; P82-G84 PolarHBondContact O-N 2.98Å; G84-V100 WeakPolarHBondContact O-CB 3.34Å; G84-V100 WeakPolarHBondContact O-CG2 3.29Å
85L94.8Very high96.2Very high86 Ų8627.6 Ų27.645%0.4516%0.158SC..SBendtrans-87.6-24.2-172.5-59.5-177.3000113.3S81 N83 V100S81-L85 PolarHBondContact OG-N 2.79Å; S81-L85 VanDerWaalsContact OG-N 3.14Å; N83-L85 VanDerWaalsContact C-N 3.29Å; N83-L85 HydrophobicContact CB-CG 4.47Å; N83-L85 PolarHBondContact O-N 2.82Å; N83-L85 PolarHBondContact OD1-N 3.02Å; N83-L85 VanDerWaalsContact OD1-N 3.09Å; L85-V100 WeakPolarHBondContact O-CG2 3.27Å; L85-V100 PolarHBondContact O-N 3.33Å
86Y95.6Very high96.3Very high57 Ų5727.1 Ų27.122%0.22416%0.155CC..EExtended strand (participates in β ladder)trans-134.3146.3-169.1-52.5-64.5000113.2A80 S81 L97 W98 L106 L142A80-Y86 WeakPolarHBondContact CA-O 3.45Å; S81-Y86 PolarHBondContact N-O 3.03Å; S81-Y86 PolarHBondContact OG-N 2.84Å; S81-Y86 PolarHBondContact OG-O 2.87Å; Y86-L97 HydrophobicContact CD1-CD2 3.97Å; Y86-L97 HydrophobicContact CE1-CD2 4.48Å; Y86-W98 VanDerWaalsContact CA-O 3.32Å; Y86-W98 WeakPolarHBondContact CA-O 3.39Å; Y86-L106 HydrophobicContact CD1-CD1 4.2Å; Y86-L106 HydrophobicContact CE1-CD1 3.83Å; Y86-L142 HydrophobicContact CD2-CD1 3.95Å; Y86-L142 HydrophobicContact CE2-CD1 4.09Å
87V96.8Very high96.4Very high4 Ų425.2 Ų25.22%0.02414%0.143CC..EExtended strand (participates in β ladder)trans-120.2135.8167.5175.40000108.4L39 L45 L78 L97 W98 V100L39-V87 HydrophobicContact CD2-CG2 4.49Å; L45-V87 HydrophobicContact CD1-CG1 3.99Å; L45-V87 HydrophobicContact CD1-CG2 3.63Å; L78-V87 HydrophobicContact CD1-CG1 3.76Å; V87-L97 WeakPolarHBondContact O-CA 3.28Å; V87-W98 PolarHBondContact N-O 3.31Å; V87-W98 PolarHBondContact O-N 2.93Å; V87-V100 HydrophobicContact CG2-CG2 3.87Å
88L97.8Very high96.4Very high0 Ų026 Ų260%015%0.146CC..EExtended strand (participates in β ladder)trans-119.7129.9179.3-84.7179.4000110.4L78 T79 I95 H96 L97 L119 F121 F128L78-L88 WeakPolarHBondContact CA-O 3.45Å; L78-L88 WeakPolarHBondContact CD1-O 3.42Å; T79-L88 HydrophobicContact CG2-CB 3.66Å; T79-L88 HydrophobicContact CG2-CD1 4.08Å; T79-L88 HydrophobicContact CG2-CG 4.47Å; T79-L88 PolarHBondContact N-O 3.37Å; T79-L88 PolarHBondContact O-N 3.1Å; L88-I95 HydrophobicContact CD2-CG2 3.62Å; L88-H96 WeakPolarHBondContact CA-O 3.42Å; L88-L97 HydrophobicContact CD2-CB 3.63Å; L88-L97 HydrophobicContact CD2-CD1 3.59Å; L88-L97 HydrophobicContact CD2-CG 3.95Å; L88-L97 HydrophobicContact CG-CD1 4.07Å; L88-L119 HydrophobicContact CB-CD1 4.25Å; L88-F121 HydrophobicContact CB-CE2 4.1Å; L88-F121 HydrophobicContact CB-CZ 4.49Å; L88-F121 HydrophobicContact CD1-CD2 4.16Å; L88-F121 HydrophobicContact CD1-CE1 3.96Å; L88-F121 HydrophobicContact CD1-CE2 3.43Å; L88-F121 VanDerWaalsContact CD1-CE2 3.43Å; L88-F121 HydrophobicContact CD1-CZ 3.31Å; L88-F121 HydrophobicContact CG-CE2 3.7Å; L88-F121 HydrophobicContact CG-CZ 3.6Å; L88-F128 HydrophobicContact CD1-CB 3.79Å; L88-F128 HydrophobicContact CD1-CD1 3.82Å; L88-F128 HydrophobicContact CD1-CD2 3.46Å; L88-F128 VanDerWaalsContact CD1-CD2 3.46Å; L88-F128 HydrophobicContact CD1-CE1 4.24Å; L88-F128 HydrophobicContact CD1-CE2 3.92Å; L88-F128 HydrophobicContact CD1-CG 3.4Å; L88-F128 HydrophobicContact CD1-CZ 4.28Å; L88-F128 HydrophobicContact CD2-CE2 4.43Å; L88-F128 HydrophobicContact CD2-CZ 4.37Å
89A97.4Very high96.4Very high0 Ų028.3 Ų28.30%016%0.156CC..EExtended strand (participates in β ladder)trans-130.3137.1174.200000111.8I54 V75 C77 L78 I95 H96 W98I54-A89 HydrophobicContact CD1-CB 3.88Å; V75-A89 HydrophobicContact CG1-CB 3.86Å; V75-A89 HydrophobicContact CG2-CB 4.31Å; C77-A89 WeakPolarHBondContact O-CA 3.4Å; L78-A89 HydrophobicContact CD1-CB 4.03Å; A89-I95 WeakPolarHBondContact O-CA 3.28Å; A89-H96 PolarHBondContact N-O 3.39Å; A89-H96 PolarHBondContact O-N 2.84Å; A89-W98 HydrophobicContact CB-CH2 3.81Å; A89-W98 HydrophobicContact CB-CZ3 3.45Å; A89-W98 VanDerWaalsContact CB-CZ3 3.45Å
90G97.1Very high96.2Very high0 Ų029.9 Ų29.90%017%0.165CC..EExtended strand (participates in β ladder)trans-86.2126.8168.900000109.9V75 T76 C77 L119V75-G90 CarbonylContact C-O 3.6Å; V75-G90 WeakPolarHBondContact CA-O 3.46Å; T76-G90 PolarHBondContact N-O 2.91Å; T76-G90 PolarHBondContact OG1-O 2.79Å; C77-G90 PolarHBondContact O-N 3Å; G90-L119 VanDerWaalsContact N-CD1 3.28Å
91V96.3Very high95.9Very high13 Ų1333.8 Ų33.88%0.07919%0.192CC..EExtended strand (participates in β ladder)trans-133.2109.1176.1-177.90000107.6P72 V75 E93 S94P72-V91 HydrophobicContact CG-CG1 4.4Å; V75-V91 HydrophobicContact CG2-CG2 4.05Å; V91-E93 PolarHBondContact O-N 3.07Å; V91-S94 PolarHBondContact N-O 2.83Å; V91-S94 PolarHBondContact O-N 3.28Å
92A95.9Very high95.7Very high42 Ų4237.1 Ų37.135%0.34721%0.212SC..THydrogen-bonded Turntrans49-133-16700000110.4S94 D115 V116A92-S94 PolarHBondContact O-N 3.27Å; A92-D115 CarbonylContact O-C 3.59Å; A92-D115 WeakPolarHBondContact O-CA 3.21Å; A92-V116 PolarHBondContact O-N 2.9Å
93E97.5Very high95.4Very high94 Ų9436.1 Ų36.144%0.43922%0.216SC..THydrogen-bonded Turntrans-76.4-0.9176.767.5-122.4-152.200115.4V91 H112 Q114V91-E93 PolarHBondContact O-N 3.07Å; E93-H112 HydrophobicContact CB-CB 4.43Å; E93-H112 WeakPolarHBondContact CB-O 3.4Å; E93-Q114 WeakPolarHBondContact CA-O 3.32Å
94S97.9Very high95.3Very high20 Ų2037.5 Ų37.514%0.1422%0.223CC..EExtended strand (participates in β ladder)trans-108.2145.2-173.1-66.50000112.7V91 A92 L109 S110V91-S94 PolarHBondContact N-O 2.83Å; V91-S94 PolarHBondContact O-N 3.28Å; A92-S94 PolarHBondContact O-N 3.27Å; S94-L109 WeakPolarHBondContact CA-O 3.45Å; S94-S110 PolarHBondContact OG-OG 2.86Å
95I98.3Very high95.4Very high1 Ų141 Ų411%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-108129.6175.4-53.2166.5000108.1L88 A89 I108 L109 V116 L119 F128 S130 W140L88-I95 HydrophobicContact CD2-CG2 3.62Å; A89-I95 WeakPolarHBondContact O-CA 3.28Å; I95-I108 CarbonylContact O-C 3.58Å; I95-I108 WeakPolarHBondContact O-CA 3.43Å; I95-L109 HydrophobicContact CB-CB 4.23Å; I95-L109 PolarHBondContact N-O 2.89Å; I95-L109 PolarHBondContact O-N 2.91Å; I95-V116 HydrophobicContact CG1-CG1 4.25Å; I95-V116 HydrophobicContact CG1-CG2 3.82Å; I95-L119 HydrophobicContact CD1-CD2 3.89Å; I95-L119 HydrophobicContact CG1-CD2 4.07Å; I95-L119 HydrophobicContact CG2-CD1 4.19Å; I95-L119 HydrophobicContact CG2-CD2 3.88Å; I95-F128 HydrophobicContact CD1-CE2 4.21Å; I95-F128 HydrophobicContact CG2-CE2 4.28Å; I95-S130 WeakPolarHBondContact CD1-OG 3.35Å; I95-W140 HydrophobicContact CD1-CZ2 3.97Å
96H97.7Very high95.4Very high10 Ų1040.8 Ų40.85%0.04624%0.239CC..EExtended strand (participates in β ladder)trans-112.1130.7-179-66.751.4000108.8P72 L88 A89 W98 L105P72-H96 WeakPolarHBondContact CG-NE2 3.36Å; L88-H96 WeakPolarHBondContact CA-O 3.42Å; A89-H96 PolarHBondContact N-O 3.39Å; A89-H96 PolarHBondContact O-N 2.84Å; H96-W98 HydrophobicContact CB-CE3 4.08Å; H96-W98 HydrophobicContact CB-CH2 3.13Å; H96-W98 HydrophobicContact CB-CZ2 3.77Å; H96-W98 HydrophobicContact CB-CZ3 3.29Å; H96-W98 AromaticContact CG-CH2 3.95Å; H96-W98 WeakPolarHBondContact O-CZ3 3.48Å; H96-L105 HydrophobicContact CB-CD1 3.89Å
97L96.9Very high95.4Very high9 Ų941.2 Ų41.25%0.04725%0.248CC..EExtended strand (participates in β ladder)trans-117.9120.5179.8-175.8136000110.1Y86 V87 L88 L106 V107 L142Y86-L97 HydrophobicContact CD1-CD2 3.97Å; Y86-L97 HydrophobicContact CE1-CD2 4.48Å; V87-L97 WeakPolarHBondContact O-CA 3.28Å; L88-L97 HydrophobicContact CD2-CB 3.63Å; L88-L97 HydrophobicContact CD2-CD1 3.59Å; L88-L97 HydrophobicContact CD2-CG 3.95Å; L88-L97 HydrophobicContact CG-CD1 4.07Å; L97-L106 HydrophobicContact CD2-CB 3.73Å; L97-L106 HydrophobicContact CD2-CD1 3.6Å; L97-L106 HydrophobicContact CD2-CG 4.05Å; L97-L106 PolarHBondContact O-N 2.95Å; L97-V107 PolarHBondContact N-O 3.11Å; L97-V107 PolarHBondContact O-N 3.22Å; L97-L142 HydrophobicContact CD1-CD2 3.77Å
98W96.1Very high95.4Very high18 Ų1845.4 Ų45.47%0.06827%0.269CS..EExtended strand (participates in β ladder)trans-108.4145.1175.2-63.9-99.8000111I69 Y86 V87 A89 H96 N104 L105I69-W98 HydrophobicContact CG2-CD2 4.5Å; Y86-W98 VanDerWaalsContact CA-O 3.32Å; Y86-W98 WeakPolarHBondContact CA-O 3.39Å; V87-W98 PolarHBondContact N-O 3.31Å; V87-W98 PolarHBondContact O-N 2.93Å; A89-W98 HydrophobicContact CB-CH2 3.81Å; A89-W98 HydrophobicContact CB-CZ3 3.45Å; A89-W98 VanDerWaalsContact CB-CZ3 3.45Å; H96-W98 HydrophobicContact CB-CE3 4.08Å; H96-W98 HydrophobicContact CB-CH2 3.13Å; H96-W98 HydrophobicContact CB-CZ2 3.77Å; H96-W98 HydrophobicContact CB-CZ3 3.29Å; H96-W98 AromaticContact CG-CH2 3.95Å; H96-W98 WeakPolarHBondContact O-CZ3 3.48Å; W98-N104 CarbonylContact C-O 3.54Å; W98-N104 VanDerWaalsContact CA-O 3.27Å; W98-N104 WeakPolarHBondContact CA-O 3.43Å; W98-L105 HydrophobicContact CD2-CD1 3.95Å; W98-L105 HydrophobicContact CG-CD1 4.27Å; W98-L105 HydrophobicContact CZ2-CD1 4.04Å
99E95.1Very high95.4Very high57 Ų5747.2 Ų47.227%0.26628%0.279SS..EExtended strand (participates in β ladder)trans-84129.9165.7-174.4178.4-141.600110S101 T102 G103 N104 L106E99-S101 VanDerWaalsContact CD-OG 3.31Å; E99-S101 WeakPolarHBondContact CG-OG 3.2Å; E99-S101 PolarHBondContact OE1-OG 3.33Å; E99-T102 WeakPolarHBondContact OE2-CB 3.46Å; E99-T102 WeakPolarHBondContact OE2-CG2 3.37Å; E99-T102 PolarHBondContact OE2-OG1 3.23Å; E99-G103 WeakPolarHBondContact O-CA 3.17Å; E99-G103 PolarHBondContact O-N 2.88Å; E99-N104 PolarHBondContact N-O 2.92Å; E99-L106 HydrophobicContact CB-CD1 3.79Å; E99-L106 HydrophobicContact CB-CD2 4.02Å; E99-L106 HydrophobicContact CB-CG 3.88Å
100V92.4Very high95.3Very high55 Ų5550.3 Ų50.333%0.33330%0.3SS..THydrogen-bonded Turntrans-69.8-42.4-175.91700000112.2L39 G84 L85 V87 T102L39-V100 HydrophobicContact CD1-CG2 3.9Å; L39-V100 HydrophobicContact CD2-CG1 3.87Å; L39-V100 HydrophobicContact CD2-CG2 3.95Å; G84-V100 WeakPolarHBondContact O-CB 3.34Å; G84-V100 WeakPolarHBondContact O-CG2 3.29Å; L85-V100 WeakPolarHBondContact O-CG2 3.27Å; L85-V100 PolarHBondContact O-N 3.33Å; V87-V100 HydrophobicContact CG2-CG2 3.87Å; V100-T102 VanDerWaalsContact C-N 3.34Å; V100-T102 PolarHBondContact O-N 2.82Å
101S91.6Very high95.3Very high95 Ų9558.4 Ų58.466%0.66433%0.331SS*.THydrogen-bonded Turntrans-65.2-36.6-174.756.50000112.9E99E99-S101 VanDerWaalsContact CD-OG 3.31Å; E99-S101 WeakPolarHBondContact CG-OG 3.2Å; E99-S101 PolarHBondContact OE1-OG 3.33Å
102T90.6Very high95.4Very high72 Ų7258.1 Ų58.144%0.44233%0.328SS..THydrogen-bonded Turntrans-102.8-19.9-177.463.20000113E99 V100 N104E99-T102 WeakPolarHBondContact OE2-CB 3.46Å; E99-T102 WeakPolarHBondContact OE2-CG2 3.37Å; E99-T102 PolarHBondContact OE2-OG1 3.23Å; V100-T102 VanDerWaalsContact C-N 3.34Å; V100-T102 PolarHBondContact O-N 2.82Å; T102-N104 WeakPolarHBondContact CB-ND2 3.44Å; T102-N104 PolarHBondContact O-N 2.92Å; T102-N104 WeakPolarHBondContact OG1-CB 3.34Å; T102-N104 PolarHBondContact OG1-N 3.43Å; T102-N104 PolarHBondContact OG1-ND2 2.98Å
103G88.8Confident95.4Very high53 Ų5364.9 Ų64.955%0.54635%0.346SS..  trans71.35.8-170.300000113.7E99E99-G103 WeakPolarHBondContact O-CA 3.17Å; E99-G103 PolarHBondContact O-N 2.88Å
104N93.2Very high95.4Very high98 Ų9865.1 Ų65.152%0.52435%0.347SS..  trans-77.7140.4-176.1-69.5-31.8000111.4W98 E99 T102 L106W98-N104 CarbonylContact C-O 3.54Å; W98-N104 VanDerWaalsContact CA-O 3.27Å; W98-N104 WeakPolarHBondContact CA-O 3.43Å; E99-N104 PolarHBondContact N-O 2.92Å; T102-N104 WeakPolarHBondContact CB-ND2 3.44Å; T102-N104 PolarHBondContact O-N 2.92Å; T102-N104 WeakPolarHBondContact OG1-CB 3.34Å; T102-N104 PolarHBondContact OG1-N 3.43Å; T102-N104 PolarHBondContact OG1-ND2 2.98Å; N104-L106 PolarHBondContact O-N 2.87Å
105L95.5Very high95.4Very high76 Ų7666.7 Ų66.740%0.39835%0.354SS..EExtended strand (participates in β ladder)trans-71.7115.2165.2-179.270.3000108.3H96 W98 I108H96-L105 HydrophobicContact CB-CD1 3.89Å; W98-L105 HydrophobicContact CD2-CD1 3.95Å; W98-L105 HydrophobicContact CG-CD1 4.27Å; W98-L105 HydrophobicContact CZ2-CD1 4.04Å; L105-I108 HydrophobicContact CD2-CD1 3.91Å; L105-I108 HydrophobicContact CD2-CG1 3.85Å; L105-I108 HydrophobicContact CG-CG1 4.43Å
106L94.9Very high95.3Very high82 Ų8266.7 Ų66.743%0.42935%0.354SS..EExtended strand (participates in β ladder)trans-86.9-45.5-179-60.7-176.8000111.8Y86 L97 E99 N104Y86-L106 HydrophobicContact CD1-CD1 4.2Å; Y86-L106 HydrophobicContact CE1-CD1 3.83Å; L97-L106 HydrophobicContact CD2-CB 3.73Å; L97-L106 HydrophobicContact CD2-CD1 3.6Å; L97-L106 HydrophobicContact CD2-CG 4.05Å; L97-L106 PolarHBondContact O-N 2.95Å; E99-L106 HydrophobicContact CB-CD1 3.79Å; E99-L106 HydrophobicContact CB-CD2 4.02Å; E99-L106 HydrophobicContact CB-CG 3.88Å; N104-L106 PolarHBondContact O-N 2.87Å
107V95.3Very high95.3Very high66 Ų6668 Ų6840%0.437%0.365SS..EExtended strand (participates in β ladder)trans-146.6143.5-170.8-169.80000111L97 L109L97-V107 PolarHBondContact N-O 3.11Å; L97-V107 PolarHBondContact O-N 3.22Å; V107-L109 HydrophobicContact CG1-CD2 3.53Å; V107-L109 HydrophobicContact CG1-CG 3.83Å
108I97.4Very high95.2Very high92 Ų9269.4 Ų69.447%0.47238%0.375SS..EExtended strand (participates in β ladder)trans-114.7125.5164.3-55.5173.9000107.6I95 L105I95-I108 CarbonylContact O-C 3.58Å; I95-I108 WeakPolarHBondContact O-CA 3.43Å; L105-I108 HydrophobicContact CD2-CD1 3.91Å; L105-I108 HydrophobicContact CD2-CG1 3.85Å; L105-I108 HydrophobicContact CG-CG1 4.43Å
109L97.3Very high95.3Very high39 Ų3969.3 Ų69.320%0.20438%0.376CS..EExtended strand (participates in β ladder)trans-113.7116.8-178.9-57.7166.7000109.4S94 I95 V107 F128 W140S94-L109 WeakPolarHBondContact CA-O 3.45Å; I95-L109 HydrophobicContact CB-CB 4.23Å; I95-L109 PolarHBondContact N-O 2.89Å; I95-L109 PolarHBondContact O-N 2.91Å; V107-L109 HydrophobicContact CG1-CD2 3.53Å; V107-L109 HydrophobicContact CG1-CG 3.83Å; L109-F128 HydrophobicContact CD1-CE1 4.31Å; L109-F128 HydrophobicContact CD1-CE2 4.38Å; L109-F128 HydrophobicContact CD1-CZ 3.48Å; L109-F128 VanDerWaalsContact CD1-CZ 3.48Å; L109-W140 HydrophobicContact CB-CH2 3.79Å; L109-W140 HydrophobicContact CB-CZ2 4.34Å; L109-W140 HydrophobicContact CB-CZ3 3.98Å; L109-W140 HydrophobicContact CD1-CD2 4.06Å; L109-W140 HydrophobicContact CD1-CE3 3.8Å; L109-W140 HydrophobicContact CD1-CH2 4.33Å; L109-W140 HydrophobicContact CD1-CZ3 3.96Å; L109-W140 HydrophobicContact CD2-CE3 4.2Å; L109-W140 HydrophobicContact CD2-CH2 4.46Å; L109-W140 HydrophobicContact CD2-CZ3 3.81Å; L109-W140 HydrophobicContact CG-CE3 4.45Å; L109-W140 HydrophobicContact CG-CH2 4.43Å; L109-W140 HydrophobicContact CG-CZ3 4.14Å
110S95.6Very high95.4Very high65 Ų6573.1 Ų73.146%0.45539%0.393SS..  trans-122.183.5-177.6-51.50000109.1S94S94-S110 PolarHBondContact OG-OG 2.86Å
111R97.3Very high95.7Very high169 Ų16971.2 Ų71.264%0.63838%0.381SS*.  trans-124.2-18.7175-68.9-65.4-172-128.53.9113.5L138 W140R111-L138 HydrophobicContact CB-CD1 3.65Å; R111-W140 HydrophobicContact CB-CH2 3.65Å; R111-W140 HydrophobicContact CB-CZ2 4.14Å; R111-W140 HydrophobicContact CG-CH2 3.48Å; R111-W140 VanDerWaalsContact CG-CH2 3.48Å; R111-W140 HydrophobicContact CG-CZ2 4.43Å; R111-W140 HydrophobicContact CG-CZ3 4.11Å
112H97.8Very high95.9Very high7 Ų768.6 Ų68.63%0.03236%0.361CS..  trans-73151.2168-75.5-72.3000109.8E93 V116 S130 G132 D134 L136E93-H112 HydrophobicContact CB-CB 4.43Å; E93-H112 WeakPolarHBondContact CB-O 3.4Å; H112-V116 HydrophobicContact CB-CG2 4.35Å; H112-S130 WeakPolarHBondContact NE2-CB 3.29Å; H112-S130 PolarHBondContact NE2-OG 3.48Å; H112-G132 PolarHBondContact CE1-N 3.08Å; H112-G132 VanDerWaalsContact CE1-N 3.34Å; H112-D134 WeakPolarHBondContact CA-OD2 3.42Å; H112-D134 WeakPolarHBondContact CB-OD2 3.5Å; H112-D134 IonicContact CE1-OD1 3.56Å; H112-D134 IonicContact CG-OD2 3.22Å; H112-D134 IonicContact ND1-OD1 2.76Å; H112-D134 PolarHBondContact ND1-OD1 2.64Å; H112-D134 VanDerWaalsContact ND1-OD1 3.08Å; H112-D134 IonicContact ND1-OD2 4Å; H112-D134 PolarHBondContact ND1-OD2 2.77Å; H112-L136 PolarHBondContact CE1-O 3.27Å
113Y97.3Very high96Very high184 Ų18468.5 Ų68.572%0.72237%0.374SS*.SBendtrans-106.4-2.5178.2-60.2-80000112.6D134 L136Y113-D134 PolarHBondContact N-OD2 2.85Å; Y113-L136 HydrophobicContact CD2-CD1 3.97Å; Y113-L136 HydrophobicContact CE2-CD1 4.11Å
114Q97.9Very high96.3Very high99 Ų9971.4 Ų71.446%0.46338%0.377SS..SBendtrans-146.4174.2173.8-60.2-175.318.600109.2E93 V116 K133 D134E93-Q114 WeakPolarHBondContact CA-O 3.32Å; Q114-V116 PolarHBondContact O-N 3.31Å; Q114-K133 HydrophobicContact CB-CB 3.9Å; Q114-K133 VanDerWaalsContact OE1-C 3.25Å; Q114-K133 VanDerWaalsContact OE1-CB 3.31Å; Q114-K133 PolarHBondContact OE1-O 3Å; Q114-K133 VanDerWaalsContact OE1-O 3.1Å; Q114-D134 HydrophobicContact CB-CB 4Å; Q114-D134 HydrophobicContact CG-CB 3.99Å
115D96.3Very high96.3Very high54 Ų5467.1 Ų67.129%0.28936%0.355SS..  trans-46.8129.9-176.7-60.4-19.6000113.5A92 S117 G132 K133A92-D115 CarbonylContact O-C 3.59Å; A92-D115 WeakPolarHBondContact O-CA 3.21Å; D115-S117 PolarHBondContact O-N 2.77Å; D115-G132 CarbonylContact O-C 3.59Å; D115-G132 WeakPolarHBondContact O-CA 3.35Å; D115-K133 HydrophobicContact CB-CD 3.95Å; D115-K133 HydrophobicContact CB-CG 4.3Å; D115-K133 PolarHBondContact O-N 2.9Å; D115-K133 IonicContact OD2-NZ 2.83Å; D115-K133 PolarHBondContact OD2-NZ 3.37Å
116V97.9Very high96.3Very high0 Ų064.7 Ų64.70%034%0.344CS..EExtended strand (participates in β ladder)trans-66.3126166.8-172.60000108T76 A92 I95 H112 Q114 L119T76-V116 WeakPolarHBondContact CB-O 3.18Å; T76-V116 PolarHBondContact OG1-O 2.87Å; A92-V116 PolarHBondContact O-N 2.9Å; I95-V116 HydrophobicContact CG1-CG1 4.25Å; I95-V116 HydrophobicContact CG1-CG2 3.82Å; H112-V116 HydrophobicContact CB-CG2 4.35Å; Q114-V116 PolarHBondContact O-N 3.31Å; V116-L119 HydrophobicContact CG1-CD1 4.48Å; V116-L119 HydrophobicContact CG1-CD2 4.1Å; V116-L119 HydrophobicContact CG1-CG 4.06Å
117S95.9Very high96.4Very high38 Ų3864 Ų6427%0.26634%0.339SS..EExtended strand (participates in β ladder)trans-109.7-19.6-173.871.60000113.4R34 D115 G131R34-S117 WeakPolarHBondContact CD-O 3.35Å; R34-S117 PolarHBondContact NH1-O 3.16Å; D115-S117 PolarHBondContact O-N 2.77Å; S117-G131 PolarHBondContact N-O 3.43Å; S117-G131 PolarHBondContact OG-O 3.19Å
118C96.4Very high96.5Very high39 Ų3961 Ų6126%0.26432%0.32SS..EExtended strand (participates in β ladder)trans-154.9151.2175.236.10000111.9R34 S130 G131R34-C118 PolarHBondContact NH1-SG 3Å; R34-C118 VanDerWaalsContact NH1-SG 3.37Å; C118-S130 WeakPolarHBondContact O-CA 3.44Å; C118-G131 PolarHBondContact N-O 3.08Å; C118-G131 VanDerWaalsContact N-O 3.16Å; C118-G131 PolarHBondContact O-N 3.07Å
119L97.9Very high96.5Very high16 Ų1659.9 Ų59.98%0.08431%0.314CS..EExtended strand (participates in β ladder)trans-138.2140.4173.3-68.8164.5000108.5T79 L88 G90 I95 V116 F128 I129T79-L119 HydrophobicContact CG2-CB 3.66Å; L88-L119 HydrophobicContact CB-CD1 4.25Å; G90-L119 VanDerWaalsContact N-CD1 3.28Å; I95-L119 HydrophobicContact CD1-CD2 3.89Å; I95-L119 HydrophobicContact CG1-CD2 4.07Å; I95-L119 HydrophobicContact CG2-CD1 4.19Å; I95-L119 HydrophobicContact CG2-CD2 3.88Å; V116-L119 HydrophobicContact CG1-CD1 4.48Å; V116-L119 HydrophobicContact CG1-CD2 4.1Å; V116-L119 HydrophobicContact CG1-CG 4.06Å; L119-F128 HydrophobicContact CD2-CD2 4.39Å; L119-F128 HydrophobicContact CD2-CE2 4.46Å; L119-I129 WeakPolarHBondContact CA-O 3.48Å
120Q97.3Very high96.6Very high136 Ų13658 Ų5864%0.63631%0.305SS*.EExtended strand (participates in β ladder)trans-151.9129.5175.4-172.4165.76.600111.2F128 I129Q120-F128 CarbonylContact O-C 3.54Å; Q120-F128 VanDerWaalsContact O-CA 3.29Å; Q120-F128 WeakPolarHBondContact O-CA 3.39Å; Q120-F128 WeakPolarHBondContact O-CB 3.09Å; Q120-I129 PolarHBondContact N-O 2.84Å; Q120-I129 PolarHBondContact O-N 3.23Å
121F97.3Very high96.7Very high15 Ų1555.3 Ų55.37%0.06629%0.287CS..EExtended strand (participates in β ladder)trans-75.7149.5169.4-83-78.2000111.8T79 A80 S81 P82 L88 H127 F128 L142T79-F121 HydrophobicContact CG2-CD2 3.69Å; T79-F121 HydrophobicContact CG2-CE2 3.91Å; A80-F121 VanDerWaalsContact C-CD2 3.45Å; A80-F121 WeakPolarHBondContact O-CD2 3.49Å; S81-F121 VanDerWaalsContact CA-CD2 3.44Å; P82-F121 HydrophobicContact CG-CB 4.4Å; L88-F121 HydrophobicContact CB-CE2 4.1Å; L88-F121 HydrophobicContact CB-CZ 4.49Å; L88-F121 HydrophobicContact CD1-CD2 4.16Å; L88-F121 HydrophobicContact CD1-CE1 3.96Å; L88-F121 HydrophobicContact CD1-CE2 3.43Å; L88-F121 VanDerWaalsContact CD1-CE2 3.43Å; L88-F121 HydrophobicContact CD1-CZ 3.31Å; L88-F121 HydrophobicContact CG-CE2 3.7Å; L88-F121 HydrophobicContact CG-CZ 3.6Å; F121-H127 WeakPolarHBondContact CD1-O 3.43Å; F121-F128 HydrophobicContact CD1-CB 3.79Å; F121-F128 HydrophobicContact CE1-CB 3.99Å; F121-F128 HydrophobicContact CE1-CD1 4.3Å; F121-F128 HydrophobicContact CE1-CG 4.47Å; F121-F128 HydrophobicContact CG-CB 4.22Å; F121-L142 HydrophobicContact CD1-CD1 4.38Å; F121-L142 HydrophobicContact CE1-CD1 3.62Å
122T95.9Very high96.7Very high41 Ų4147.8 Ų47.825%0.25226%0.263SS..  trans-69.9153.2162.656.10000110.2D124 S125 H127T122-D124 WeakPolarHBondContact CB-OD1 3.32Å; T122-D124 PolarHBondContact O-N 3.15Å; T122-D124 PolarHBondContact OG1-OD1 2.88Å; T122-S125 PolarHBondContact O-N 2.83Å; T122-H127 HydrophobicContact CG2-CB 3.82Å; T122-H127 PolarHBondContact N-O 3.46Å; T122-H127 PolarHBondContact OG1-N 3.37Å; T122-H127 VanDerWaalsContact OG1-N 3.12Å; T122-H127 PolarHBondContact OG1-O 3.39Å; T122-H127 VanDerWaalsContact OG1-O 3.05Å
123G94Very high96.6Very high70 Ų7053.2 Ų53.272%0.72229%0.286SS*.THydrogen-bonded Turntrans-60.7-28.2-176.200000114.1S125G123-S125 VanDerWaalsContact C-N 3.32Å
124D94.1Very high96.7Very high113 Ų11345.7 Ų45.760%0.60426%0.258SS*.THydrogen-bonded Turntrans-84.8-1.117667.9-16.8000113.6T122 S126T122-D124 WeakPolarHBondContact CB-OD1 3.32Å; T122-D124 PolarHBondContact O-N 3.15Å; T122-D124 PolarHBondContact OG1-OD1 2.88Å; D124-S126 PolarHBondContact O-N 3.38Å; D124-S126 VanDerWaalsContact O-N 3.13Å; D124-S126 PolarHBondContact OD1-N 2.78Å; D124-S126 PolarHBondContact OD1-OG 2.89Å; D124-S126 WeakPolarHBondContact OD2-CB 3.26Å; D124-S126 PolarHBondContact OD2-OG 2.85Å
125S94.1Very high96.6Very high8 Ų846.8 Ų46.86%0.05628%0.275CS..SBendtrans59.115.5-177.9-47.70000115.4P82 N83 T122 G123 L142P82-S125 VanDerWaalsContact CD-OG 3.27Å; P82-S125 WeakPolarHBondContact CD-OG 3.34Å; N83-S125 VanDerWaalsContact CG-CB 3.49Å; N83-S125 PolarHBondContact N-OG 2.92Å; N83-S125 VanDerWaalsContact ND2-CB 3.32Å; N83-S125 WeakPolarHBondContact ND2-CB 3.46Å; T122-S125 PolarHBondContact O-N 2.83Å; G123-S125 VanDerWaalsContact C-N 3.32Å; S125-L142 WeakPolarHBondContact O-CD1 3.46Å
126S94.8Very high96.7Very high26 Ų2647.3 Ų47.318%0.18228%0.278CS..SBendtrans-83.3-25.4-179.866.70000112.8D124 L142D124-S126 PolarHBondContact O-N 3.38Å; D124-S126 VanDerWaalsContact O-N 3.13Å; D124-S126 PolarHBondContact OD1-N 2.78Å; D124-S126 PolarHBondContact OD1-OG 2.89Å; D124-S126 WeakPolarHBondContact OD2-CB 3.26Å; D124-S126 PolarHBondContact OD2-OG 2.85Å; S126-L142 PolarHBondContact O-N 2.85Å
127H96.4Very high96.7Very high66 Ų6652.4 Ų52.431%0.30631%0.309SS..EExtended strand (participates in β ladder)trans-136.6166.5-178.9-62.877.4000111.1F121 T122 V139 W140 S141F121-H127 WeakPolarHBondContact CD1-O 3.43Å; T122-H127 HydrophobicContact CG2-CB 3.82Å; T122-H127 PolarHBondContact N-O 3.46Å; T122-H127 PolarHBondContact OG1-N 3.37Å; T122-H127 VanDerWaalsContact OG1-N 3.12Å; T122-H127 PolarHBondContact OG1-O 3.39Å; T122-H127 VanDerWaalsContact OG1-O 3.05Å; H127-V139 HydrophobicContact CB-CG1 4.5Å; H127-W140 CarbonylContact C-O 3.58Å; H127-W140 WeakPolarHBondContact CA-O 3.15Å; H127-W140 VanDerWaalsContact CB-O 3.24Å; H127-W140 WeakPolarHBondContact CB-O 3.43Å; H127-W140 PolarHBondContact CD2-O 2.89Å; H127-S141 VanDerWaalsContact CD2-CA 3.48Å; H127-S141 WeakPolarHBondContact CD2-CA 3.48Å; H127-S141 PolarHBondContact NE2-OG 3.42Å
128F97.7Very high96.8Very high3 Ų352.7 Ų52.71%0.01331%0.307CS..EExtended strand (participates in β ladder)trans-141.2160162.669.6-87.3000110.8L88 I95 L109 L119 Q120 F121 W140 L142L88-F128 HydrophobicContact CD1-CB 3.79Å; L88-F128 HydrophobicContact CD1-CD1 3.82Å; L88-F128 HydrophobicContact CD1-CD2 3.46Å; L88-F128 VanDerWaalsContact CD1-CD2 3.46Å; L88-F128 HydrophobicContact CD1-CE1 4.24Å; L88-F128 HydrophobicContact CD1-CE2 3.92Å; L88-F128 HydrophobicContact CD1-CG 3.4Å; L88-F128 HydrophobicContact CD1-CZ 4.28Å; L88-F128 HydrophobicContact CD2-CE2 4.43Å; L88-F128 HydrophobicContact CD2-CZ 4.37Å; I95-F128 HydrophobicContact CD1-CE2 4.21Å; I95-F128 HydrophobicContact CG2-CE2 4.28Å; L109-F128 HydrophobicContact CD1-CE1 4.31Å; L109-F128 HydrophobicContact CD1-CE2 4.38Å; L109-F128 HydrophobicContact CD1-CZ 3.48Å; L109-F128 VanDerWaalsContact CD1-CZ 3.48Å; L119-F128 HydrophobicContact CD2-CD2 4.39Å; L119-F128 HydrophobicContact CD2-CE2 4.46Å; Q120-F128 CarbonylContact O-C 3.54Å; Q120-F128 VanDerWaalsContact O-CA 3.29Å; Q120-F128 WeakPolarHBondContact O-CA 3.39Å; Q120-F128 WeakPolarHBondContact O-CB 3.09Å; F121-F128 HydrophobicContact CD1-CB 3.79Å; F121-F128 HydrophobicContact CE1-CB 3.99Å; F121-F128 HydrophobicContact CE1-CD1 4.3Å; F121-F128 HydrophobicContact CE1-CG 4.47Å; F121-F128 HydrophobicContact CG-CB 4.22Å; F128-W140 HydrophobicContact CD1-CB 3.73Å; F128-W140 HydrophobicContact CD1-CG 4.44Å; F128-W140 HydrophobicContact CD2-CB 4.17Å; F128-W140 AromaticContact CD2-CD1 3.55Å; F128-W140 HydrophobicContact CD2-CG 4.06Å; F128-W140 HydrophobicContact CE1-CB 3.29Å; F128-W140 AromaticContact CE1-CG 3.85Å; F128-W140 HydrophobicContact CE1-CG 3.85Å; F128-W140 HydrophobicContact CE2-CB 3.77Å; F128-W140 AromaticContact CE2-CD1 3.1Å; F128-W140 HydrophobicContact CE2-CD2 4.14Å; F128-W140 AromaticContact CE2-CG 3.41Å; F128-W140 HydrophobicContact CE2-CG 3.41Å; F128-W140 VanDerWaalsContact CE2-CG 3.41Å; F128-W140 AromaticContact CE2-NE1 3.64Å; F128-W140 HydrophobicContact CG-CB 4.14Å; F128-W140 HydrophobicContact CZ-CB 3.29Å; F128-W140 AromaticContact CZ-CD1 3.53Å; F128-W140 AromaticContact CZ-CD2 3.89Å; F128-W140 HydrophobicContact CZ-CD2 3.89Å; F128-W140 AromaticContact CZ-CG 3.27Å; F128-W140 HydrophobicContact CZ-CG 3.27Å; F128-W140 PolarHBondContact N-O 3.36Å; F128-W140 PolarHBondContact O-N 2.76Å; F128-L142 HydrophobicContact CD1-CD2 4.09Å; F128-L142 HydrophobicContact CD1-CG 4.31Å; F128-L142 HydrophobicContact CE1-CD2 3.99Å
129I97.9Very high96.8Very high69 Ų6955.5 Ų55.535%0.35432%0.323SS..EExtended strand (participates in β ladder)trans-116.3137.2-178.5-55.8173.9000107.8L119 Q120 V137 L138 V139L119-I129 WeakPolarHBondContact CA-O 3.48Å; Q120-I129 PolarHBondContact N-O 2.84Å; Q120-I129 PolarHBondContact O-N 3.23Å; I129-V137 HydrophobicContact CG2-CG1 3.58Å; I129-L138 WeakPolarHBondContact CA-O 3.43Å; I129-V139 HydrophobicContact CG1-CG2 4.36Å
130S98.1Very high96.8Very high0 Ų056.7 Ų56.70%033%0.326CS..EExtended strand (participates in β ladder)trans-121.9141.1170.765.90000110.9I95 H112 C118 V137 L138 W140I95-S130 WeakPolarHBondContact CD1-OG 3.35Å; H112-S130 WeakPolarHBondContact NE2-CB 3.29Å; H112-S130 PolarHBondContact NE2-OG 3.48Å; C118-S130 WeakPolarHBondContact O-CA 3.44Å; S130-V137 CarbonylContact O-C 3.58Å; S130-V137 WeakPolarHBondContact O-CA 3.5Å; S130-L138 PolarHBondContact N-O 3.37Å; S130-L138 PolarHBondContact O-N 3.44Å; S130-W140 PolarHBondContact OG-NE1 2.99Å
131G97.9Very high96.7Very high8 Ų853.2 Ų53.28%0.08232%0.317CS..EExtended strand (participates in β ladder)trans-124.7129.7173.300000110.7S117 C118 L136S117-G131 PolarHBondContact N-O 3.43Å; S117-G131 PolarHBondContact OG-O 3.19Å; C118-G131 PolarHBondContact N-O 3.08Å; C118-G131 VanDerWaalsContact N-O 3.16Å; C118-G131 PolarHBondContact O-N 3.07Å; G131-L136 WeakPolarHBondContact CA-O 3.35Å
132G97.3Very high96.2Very high12 Ų1255.3 Ų55.312%0.12433%0.329CS..EExtended strand (participates in β ladder)trans-110.1167.5-178.500000113.3H112 D115 D134 C135 L136H112-G132 PolarHBondContact CE1-N 3.08Å; H112-G132 VanDerWaalsContact CE1-N 3.34Å; D115-G132 CarbonylContact O-C 3.59Å; D115-G132 WeakPolarHBondContact O-CA 3.35Å; G132-D134 VanDerWaalsContact CA-OD1 3.29Å; G132-D134 WeakPolarHBondContact CA-OD1 3.35Å; G132-D134 PolarHBondContact O-N 3.34Å; G132-C135 PolarHBondContact O-N 3.31Å; G132-L136 PolarHBondContact N-O 3.18Å; G132-L136 VanDerWaalsContact N-O 3.07Å
133K97.4Very high95.3Very high121 Ų12157.4 Ų57.453%0.52634%0.344SS..THydrogen-bonded Turntrans-70.3-11.5169-67.8-176.8-172.9162.10113Q114 D115 C135Q114-K133 HydrophobicContact CB-CB 3.9Å; Q114-K133 VanDerWaalsContact OE1-C 3.25Å; Q114-K133 VanDerWaalsContact OE1-CB 3.31Å; Q114-K133 PolarHBondContact OE1-O 3Å; Q114-K133 VanDerWaalsContact OE1-O 3.1Å; D115-K133 HydrophobicContact CB-CD 3.95Å; D115-K133 HydrophobicContact CB-CG 4.3Å; D115-K133 PolarHBondContact O-N 2.9Å; D115-K133 IonicContact OD2-NZ 2.83Å; D115-K133 PolarHBondContact OD2-NZ 3.37Å; K133-C135 PolarHBondContact O-N 2.88Å
134D97.6Very high93.5Very high25 Ų2569.4 Ų69.413%0.13437%0.368CS..THydrogen-bonded Turntrans-74.28.1172.759.6-1.1000113.6H112 Y113 Q114 G132 L136H112-D134 WeakPolarHBondContact CA-OD2 3.42Å; H112-D134 WeakPolarHBondContact CB-OD2 3.5Å; H112-D134 IonicContact CE1-OD1 3.56Å; H112-D134 IonicContact CG-OD2 3.22Å; H112-D134 IonicContact ND1-OD1 2.76Å; H112-D134 PolarHBondContact ND1-OD1 2.64Å; H112-D134 VanDerWaalsContact ND1-OD1 3.08Å; H112-D134 IonicContact ND1-OD2 4Å; H112-D134 PolarHBondContact ND1-OD2 2.77Å; Y113-D134 PolarHBondContact N-OD2 2.85Å; Q114-D134 HydrophobicContact CB-CB 4Å; Q114-D134 HydrophobicContact CG-CB 3.99Å; G132-D134 VanDerWaalsContact CA-OD1 3.29Å; G132-D134 WeakPolarHBondContact CA-OD1 3.35Å; G132-D134 PolarHBondContact O-N 3.34Å; D134-L136 HydrophobicContact CB-CG 4.46Å; D134-L136 PolarHBondContact O-N 3.19Å; D134-L136 WeakPolarHBondContact OD1-CB 3.34Å; D134-L136 PolarHBondContact OD1-N 2.91Å; D134-L136 VanDerWaalsContact OD1-N 3.08Å
135C96.9Very high93.4Very high122 Ų12267.3 Ų67.382%0.82436%0.356SS*.SBendtrans62.614.4-175.9-57.20000114G132 K133G132-C135 PolarHBondContact O-N 3.31Å; K133-C135 PolarHBondContact O-N 2.88Å
136L97.5Very high93.4Very high66 Ų6670.4 Ų70.435%0.34637%0.371SS..  trans-92.4142.7175.1-60.4-178.4000110.9H112 Y113 G131 G132 D134H112-L136 PolarHBondContact CE1-O 3.27Å; Y113-L136 HydrophobicContact CD2-CD1 3.97Å; Y113-L136 HydrophobicContact CE2-CD1 4.11Å; G131-L136 WeakPolarHBondContact CA-O 3.35Å; G132-L136 PolarHBondContact N-O 3.18Å; G132-L136 VanDerWaalsContact N-O 3.07Å; D134-L136 HydrophobicContact CB-CG 4.46Å; D134-L136 PolarHBondContact O-N 3.19Å; D134-L136 WeakPolarHBondContact OD1-CB 3.34Å; D134-L136 PolarHBondContact OD1-N 2.91Å; D134-L136 VanDerWaalsContact OD1-N 3.08Å
137V97.9Very high93.3Very high106 Ų10672.8 Ų72.864%0.64238%0.382SS*.EExtended strand (participates in β ladder)trans-119.7120.1165.1-179.50000107.2I129 S130I129-V137 HydrophobicContact CG2-CG1 3.58Å; S130-V137 CarbonylContact O-C 3.58Å; S130-V137 WeakPolarHBondContact O-CA 3.5Å
138L97.9Very high93.1Very high44 Ų4473.2 Ų73.223%0.2339%0.386CS..EExtended strand (participates in β ladder)trans-114.4139.4-177.3-56.8177.4000109.6R111 I129 S130 W140R111-L138 HydrophobicContact CB-CD1 3.65Å; I129-L138 WeakPolarHBondContact CA-O 3.43Å; S130-L138 PolarHBondContact N-O 3.37Å; S130-L138 PolarHBondContact O-N 3.44Å; L138-W140 HydrophobicContact CB-CZ2 4.07Å; L138-W140 HydrophobicContact CD1-CH2 4.32Å; L138-W140 HydrophobicContact CD1-CZ2 3.64Å
139V97.6Very high92.9Very high99 Ų9977.6 Ų77.660%0.641%0.41SS*.EExtended strand (participates in β ladder)trans-109.6133173.7-175.40000108.1H127 I129H127-V139 HydrophobicContact CB-CG1 4.5Å; I129-V139 HydrophobicContact CG1-CG2 4.36Å
140W97.1Very high92.5Very high40 Ų4078.2 Ų78.215%0.15241%0.414CS..EExtended strand (participates in β ladder)trans-123132.9-174.2-53.687.6000109.2I95 L109 R111 H127 F128 S130 L138I95-W140 HydrophobicContact CD1-CZ2 3.97Å; L109-W140 HydrophobicContact CB-CH2 3.79Å; L109-W140 HydrophobicContact CB-CZ2 4.34Å; L109-W140 HydrophobicContact CB-CZ3 3.98Å; L109-W140 HydrophobicContact CD1-CD2 4.06Å; L109-W140 HydrophobicContact CD1-CE3 3.8Å; L109-W140 HydrophobicContact CD1-CH2 4.33Å; L109-W140 HydrophobicContact CD1-CZ3 3.96Å; L109-W140 HydrophobicContact CD2-CE3 4.2Å; L109-W140 HydrophobicContact CD2-CH2 4.46Å; L109-W140 HydrophobicContact CD2-CZ3 3.81Å; L109-W140 HydrophobicContact CG-CE3 4.45Å; L109-W140 HydrophobicContact CG-CH2 4.43Å; L109-W140 HydrophobicContact CG-CZ3 4.14Å; R111-W140 HydrophobicContact CB-CH2 3.65Å; R111-W140 HydrophobicContact CB-CZ2 4.14Å; R111-W140 HydrophobicContact CG-CH2 3.48Å; R111-W140 VanDerWaalsContact CG-CH2 3.48Å; R111-W140 HydrophobicContact CG-CZ2 4.43Å; R111-W140 HydrophobicContact CG-CZ3 4.11Å; H127-W140 CarbonylContact C-O 3.58Å; H127-W140 WeakPolarHBondContact CA-O 3.15Å; H127-W140 VanDerWaalsContact CB-O 3.24Å; H127-W140 WeakPolarHBondContact CB-O 3.43Å; H127-W140 PolarHBondContact CD2-O 2.89Å; F128-W140 HydrophobicContact CD1-CB 3.73Å; F128-W140 HydrophobicContact CD1-CG 4.44Å; F128-W140 HydrophobicContact CD2-CB 4.17Å; F128-W140 AromaticContact CD2-CD1 3.55Å; F128-W140 HydrophobicContact CD2-CG 4.06Å; F128-W140 HydrophobicContact CE1-CB 3.29Å; F128-W140 AromaticContact CE1-CG 3.85Å; F128-W140 HydrophobicContact CE1-CG 3.85Å; F128-W140 HydrophobicContact CE2-CB 3.77Å; F128-W140 AromaticContact CE2-CD1 3.1Å; F128-W140 HydrophobicContact CE2-CD2 4.14Å; F128-W140 AromaticContact CE2-CG 3.41Å; F128-W140 HydrophobicContact CE2-CG 3.41Å; F128-W140 VanDerWaalsContact CE2-CG 3.41Å; F128-W140 AromaticContact CE2-NE1 3.64Å; F128-W140 HydrophobicContact CG-CB 4.14Å; F128-W140 HydrophobicContact CZ-CB 3.29Å; F128-W140 AromaticContact CZ-CD1 3.53Å; F128-W140 AromaticContact CZ-CD2 3.89Å; F128-W140 HydrophobicContact CZ-CD2 3.89Å; F128-W140 AromaticContact CZ-CG 3.27Å; F128-W140 HydrophobicContact CZ-CG 3.27Å; F128-W140 PolarHBondContact N-O 3.36Å; F128-W140 PolarHBondContact O-N 2.76Å; S130-W140 PolarHBondContact OG-NE1 2.99Å; L138-W140 HydrophobicContact CB-CZ2 4.07Å; L138-W140 HydrophobicContact CD1-CH2 4.32Å; L138-W140 HydrophobicContact CD1-CZ2 3.64Å
141S94.6Very high92.1Very high64 Ų6483.8 Ų83.845%0.44844%0.443SS..EExtended strand (participates in β ladder)trans-91.9135.6171.3-159.90000110.1H127 C143H127-S141 VanDerWaalsContact CD2-CA 3.48Å; H127-S141 WeakPolarHBondContact CD2-CA 3.48Å; H127-S141 PolarHBondContact NE2-OG 3.42Å; S141-C143 PolarHBondContact OG-N 3.1Å; S141-C143 PolarHBondContact OG-O 2.83Å
142L88.3Confident91.7Very high59 Ų5989.6 Ų89.631%0.30947%0.471SS..SBendtrans-88.2-13.9168.5-67.1179000112.1Y86 L97 F121 S125 S126 F128Y86-L142 HydrophobicContact CD2-CD1 3.95Å; Y86-L142 HydrophobicContact CE2-CD1 4.09Å; L97-L142 HydrophobicContact CD1-CD2 3.77Å; F121-L142 HydrophobicContact CD1-CD1 4.38Å; F121-L142 HydrophobicContact CE1-CD1 3.62Å; S125-L142 WeakPolarHBondContact O-CD1 3.46Å; S126-L142 PolarHBondContact O-N 2.85Å; F128-L142 HydrophobicContact CD1-CD2 4.09Å; F128-L142 HydrophobicContact CD1-CG 4.31Å; F128-L142 HydrophobicContact CE1-CD2 3.99Å
143C75.6Confident91.2Very high84 Ų8496.1 Ų96.157%0.56850%0.5SS*.  trans-82.4145.5172-59.80000109.9S141S141-C143 PolarHBondContact OG-N 3.1Å; S141-C143 PolarHBondContact OG-O 2.83Å
144R56.1Low90.7Very high323 Ų32393.8 Ų93.8100%1.21950%0.497SS*.  trans-92.20166-106-175.6176.2174.3-0.3110.4

Retrieved 144 of 144 residues in 153.7 ms (Link to these results)

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