A0A077Z9I5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z9I5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 158 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
1M56.3Low81.1Confident144 Ų14499.4 Ų99.471%0.70948%0.475SS*.  01530-70.4178.279.400108.5A119 S123M1-A119 HydrophobicContact SD-CB 4.26Å; M1-S123 PolarHBondContact N-O 2.82Å
2S74.2Confident81.9Confident101 Ų10192.4 Ų92.471%0.70644%0.444SS*.  trans-71.7137.8171.8-52.90000110.2
3P81.6Confident82.3Confident64 Ų6489.4 Ų89.442%0.41643%0.428SS..  trans-58.6143.4173.524.3-32.2000110.2C116P3-C116 VanDerWaalsContact CB-SG 3.58Å
4R79.4Confident82.7Confident165 Ų16593.9 Ų93.962%0.62345%0.447SS*.EExtended strand (participates in β ladder)trans-126.7137.4174.7-67.6-174.8-178.8-175.70.2109.2F6 I117R4-F6 HydrophobicContact CB-CD2 4.41Å; R4-F6 HydrophobicContact CB-CE2 3.63Å; R4-F6 HydrophobicContact CB-CZ 3.81Å; R4-F6 WeakPolarHBondContact O-CD2 3.41Å; R4-I117 PolarHBondContact O-N 2.83Å; R4-I117 VanDerWaalsContact O-N 3.16Å
5W84.4Confident82.9Confident175 Ų17595.7 Ų95.766%0.66346%0.456SS*.EExtended strand (participates in β ladder)trans-89.8131.7172.3-6592.9000108.9C115 C116W5-C115 WeakPolarHBondContact CA-O 3.2Å; W5-C116 HydrophobicContact CD2-CB 3.94Å; W5-C116 HydrophobicContact CE3-CB 3.8Å; W5-C116 HydrophobicContact CH2-CB 3.75Å; W5-C116 HydrophobicContact CZ2-CB 3.88Å; W5-C116 HydrophobicContact CZ3-CB 3.71Å
6F83.8Confident83.1Confident47 Ų4791.5 Ų91.521%0.20644%0.436CS..EExtended strand (participates in β ladder)trans-120.2141.2176.2-62.5-87.2000109R4 P12 S114 C115 I117R4-F6 HydrophobicContact CB-CD2 4.41Å; R4-F6 HydrophobicContact CB-CE2 3.63Å; R4-F6 HydrophobicContact CB-CZ 3.81Å; R4-F6 WeakPolarHBondContact O-CD2 3.41Å; F6-P12 HydrophobicContact CD1-CG 4.05Å; F6-P12 HydrophobicContact CE1-CB 4.45Å; F6-P12 HydrophobicContact CE1-CG 3.66Å; F6-P12 HydrophobicContact CE2-CG 4.21Å; F6-P12 HydrophobicContact CG-CG 4.48Å; F6-P12 HydrophobicContact CZ-CG 3.74Å; F6-S114 CarbonylContact O-C 3.59Å; F6-S114 WeakPolarHBondContact O-CA 2.99Å; F6-C115 PolarHBondContact N-O 3.31Å; F6-C115 PolarHBondContact O-N 3.11Å; F6-I117 HydrophobicContact CD2-CB 4.08Å; F6-I117 HydrophobicContact CD2-CD1 4.17Å; F6-I117 HydrophobicContact CD2-CG1 4.27Å; F6-I117 HydrophobicContact CE2-CB 4.14Å
7E86.5Confident83.3Confident95 Ų9590.7 Ų90.744%0.44443%0.428SS..EExtended strand (participates in β ladder)trans-61.6143.9165.9-61.3177.7168.200109.1K9 N10 V11 Q113E7-K9 HydrophobicContact CB-CG 4.17Å; E7-K9 PolarHBondContact O-N 3.24Å; E7-K9 WeakPolarHBondContact OE2-CE 3.34Å; E7-K9 IonicContact OE2-NZ 3.8Å; E7-N10 HydrophobicContact CB-CB 4.19Å; E7-N10 CarbonylContact O-C 3.57Å; E7-N10 WeakPolarHBondContact O-CA 3.4Å; E7-N10 PolarHBondContact O-N 3.09Å; E7-N10 PolarHBondContact OE2-ND2 3.44Å; E7-V11 PolarHBondContact O-N 3.03Å; E7-Q113 CarbonylContact C-O 3.5Å; E7-Q113 VanDerWaalsContact CA-O 3.24Å; E7-Q113 WeakPolarHBondContact CA-O 3.35Å
8L84.1Confident83.5Confident33 Ų3388.3 Ų88.317%0.17342%0.421CS..G310 helixtrans-56.1-30.7-177.2-71.2179.5000113W24 L28 I109 Q113 C115L8-W24 HydrophobicContact CD2-CZ2 4.35Å; L8-L28 HydrophobicContact CD1-CD2 4.35Å; L8-L28 HydrophobicContact CD2-CD2 3.82Å; L8-I109 HydrophobicContact CD1-CD1 4.39Å; L8-I109 HydrophobicContact CD1-CG2 3.82Å; L8-Q113 HydrophobicContact CB-CB 4.38Å; L8-Q113 HydrophobicContact CD1-CB 3.98Å; L8-Q113 HydrophobicContact CD1-CG 4.45Å; L8-Q113 HydrophobicContact CG-CB 4.15Å; L8-Q113 WeakPolarHBondContact CG-O 3.43Å; L8-Q113 PolarHBondContact N-O 3.24Å; L8-C115 HydrophobicContact CD2-CB 4.03Å
9K86.2Confident83.8Confident162 Ų16284 Ų8470%0.70440%0.401SS*.G310 helixtrans-78.4-18.8175.363.4178.1178.6-178.70114.3E7E7-K9 HydrophobicContact CB-CG 4.17Å; E7-K9 PolarHBondContact O-N 3.24Å; E7-K9 WeakPolarHBondContact OE2-CE 3.34Å; E7-K9 IonicContact OE2-NZ 3.8Å
10N87.7Confident84Confident96 Ų9681.1 Ų81.151%0.51339%0.387SS..G310 helixtrans-11522.6-173.2-70.1-32000112.4E7E7-N10 HydrophobicContact CB-CB 4.19Å; E7-N10 CarbonylContact O-C 3.57Å; E7-N10 WeakPolarHBondContact O-CA 3.4Å; E7-N10 PolarHBondContact O-N 3.09Å; E7-N10 PolarHBondContact OE2-ND2 3.44Å
11V88.1Confident84.2Confident11 Ų1182.1 Ų82.17%0.06739%0.392CS..  trans-61125.5174171.60000109.1E7 F13 M16 I117E7-V11 PolarHBondContact O-N 3.03Å; V11-F13 HydrophobicContact CB-CD2 4.12Å; V11-F13 HydrophobicContact CB-CE1 4.43Å; V11-F13 HydrophobicContact CB-CE2 3.72Å; V11-F13 HydrophobicContact CB-CZ 3.88Å; V11-F13 HydrophobicContact CG1-CD1 3.89Å; V11-F13 HydrophobicContact CG1-CD2 4.04Å; V11-F13 HydrophobicContact CG1-CE1 3.66Å; V11-F13 HydrophobicContact CG1-CE2 3.83Å; V11-F13 HydrophobicContact CG1-CG 4.06Å; V11-F13 HydrophobicContact CG1-CZ 3.62Å; V11-F13 WeakPolarHBondContact O-CD2 3.43Å; V11-F13 PolarHBondContact O-N 3.16Å; V11-M16 HydrophobicContact CG1-CE 4.37Å; V11-M16 HydrophobicContact CG1-SD 3.5Å; V11-M16 WeakPolarHBondContact CG1-SD 3.46Å; V11-I117 HydrophobicContact CB-CD1 4.29Å; V11-I117 HydrophobicContact CG1-CD1 3.47Å; V11-I117 VanDerWaalsContact CG1-CD1 3.47Å; V11-I117 HydrophobicContact CG2-CD1 4.03Å
12P89.9Confident85.8Confident16 Ų1676.9 Ų76.910%0.10437%0.366CS..  trans-79.663-173.834.8-38.6000111.2F6 H14 Q15F6-P12 HydrophobicContact CD1-CG 4.05Å; F6-P12 HydrophobicContact CE1-CB 4.45Å; F6-P12 HydrophobicContact CE1-CG 3.66Å; F6-P12 HydrophobicContact CE2-CG 4.21Å; F6-P12 HydrophobicContact CG-CG 4.48Å; F6-P12 HydrophobicContact CZ-CG 3.74Å; P12-H14 PolarHBondContact O-N 2.89Å; P12-Q15 HydrophobicContact CB-CG 4.45Å; P12-Q15 PolarHBondContact O-N 2.59Å
13F88Confident86.5Confident53 Ų5373.6 Ų73.623%0.23234%0.339CS..G310 helixtrans-55.7-23.5-177-74.3-64000115V11 Q15 M16 Q21 W24V11-F13 HydrophobicContact CB-CD2 4.12Å; V11-F13 HydrophobicContact CB-CE1 4.43Å; V11-F13 HydrophobicContact CB-CE2 3.72Å; V11-F13 HydrophobicContact CB-CZ 3.88Å; V11-F13 HydrophobicContact CG1-CD1 3.89Å; V11-F13 HydrophobicContact CG1-CD2 4.04Å; V11-F13 HydrophobicContact CG1-CE1 3.66Å; V11-F13 HydrophobicContact CG1-CE2 3.83Å; V11-F13 HydrophobicContact CG1-CG 4.06Å; V11-F13 HydrophobicContact CG1-CZ 3.62Å; V11-F13 WeakPolarHBondContact O-CD2 3.43Å; V11-F13 PolarHBondContact O-N 3.16Å; F13-Q15 PolarHBondContact O-N 3.18Å; F13-M16 HydrophobicContact CD1-SD 4.19Å; F13-M16 PolarHBondContact O-N 3.33Å; F13-Q21 HydrophobicContact CB-CG 3.48Å; F13-Q21 VanDerWaalsContact CB-CG 3.48Å; F13-Q21 HydrophobicContact CD1-CB 4.42Å; F13-Q21 HydrophobicContact CD1-CG 3.59Å; F13-Q21 HydrophobicContact CE1-CG 4.48Å; F13-Q21 HydrophobicContact CG-CG 3.66Å; F13-Q21 PolarHBondContact O-NE2 3.12Å; F13-W24 HydrophobicContact CE1-CB 3.98Å; F13-W24 AromaticContact CE1-CD1 3.98Å; F13-W24 AromaticContact CE1-CG 3.91Å; F13-W24 HydrophobicContact CE1-CG 3.91Å; F13-W24 HydrophobicContact CZ-CB 4.24Å; F13-W24 AromaticContact CZ-CD1 3.45Å; F13-W24 VanDerWaalsContact CZ-CD1 3.45Å; F13-W24 AromaticContact CZ-CG 3.86Å; F13-W24 HydrophobicContact CZ-CG 3.86Å; F13-W24 AromaticContact CZ-NE1 3.96Å
14H87.4Confident86.8Confident152 Ų15271.5 Ų71.570%0.70432%0.322SS*.G310 helixtrans-70.6-16.517567.2-78.5000113.6P12P12-H14 PolarHBondContact O-N 2.89Å
15Q86.6Confident87.2Confident122 Ų12266.1 Ų66.157%0.5731%0.309SS*.G310 helixtrans-104.73175.4-57.6176.911.600111.9P12 F13P12-Q15 HydrophobicContact CB-CG 4.45Å; P12-Q15 PolarHBondContact O-N 2.59Å; F13-Q15 PolarHBondContact O-N 3.18Å
16M85.6Confident87.4Confident28 Ų2860.4 Ų60.414%0.13829%0.287CS..SBendtrans-109.2173.3-176.7-64.8176.466.400110V11 F13 D20 I117V11-M16 HydrophobicContact CG1-CE 4.37Å; V11-M16 HydrophobicContact CG1-SD 3.5Å; V11-M16 WeakPolarHBondContact CG1-SD 3.46Å; F13-M16 HydrophobicContact CD1-SD 4.19Å; F13-M16 PolarHBondContact O-N 3.33Å; M16-D20 HydrophobicContact CB-CB 4.34Å; M16-D20 HydrophobicContact CE-CB 3.88Å; M16-D20 WeakPolarHBondContact CE-OD2 3.37Å; M16-I117 HydrophobicContact CE-CD1 4.1Å; M16-I117 HydrophobicContact CE-CG2 3.97Å; M16-I117 HydrophobicContact SD-CD1 3.95Å; M16-I117 HydrophobicContact SD-CG2 4.17Å
17W85.6Confident87.4Confident78 Ų7861 Ų6130%0.29529%0.29SS..  trans-67.5143.7176.5-72.752000110.1D19 D20 Y39 Q43 I96W17-D19 WeakPolarHBondContact CB-OD1 3.45Å; W17-D19 PolarHBondContact O-N 3.08Å; W17-D19 VanDerWaalsContact O-N 3.13Å; W17-D20 WeakPolarHBondContact O-CB 3.15Å; W17-D20 PolarHBondContact O-N 2.85Å; W17-Y39 HydrophobicContact CE3-CE1 4.19Å; W17-Y39 HydrophobicContact CE3-CE2 4.02Å; W17-Y39 AromaticContact CE3-CZ 3.72Å; W17-Y39 HydrophobicContact CZ3-CD2 4.49Å; W17-Y39 HydrophobicContact CZ3-CE2 4.2Å; W17-Q43 HydrophobicContact CH2-CB 4.45Å; W17-I96 HydrophobicContact CH2-CD1 4.27Å; W17-I96 HydrophobicContact CZ3-CD1 4.09Å
18P87.7Confident87.4Confident48 Ų4859.1 Ų59.131%0.31228%0.283SS..THydrogen-bonded Turntrans-55.8-28.8179.8-27.833.8000114.7D20 Y39 L46P18-D20 VanDerWaalsContact C-N 3.34Å; P18-Y39 WeakPolarHBondContact CD-OH 2.88Å; P18-Y39 HydrophobicContact CG-CE1 4.19Å; P18-L46 HydrophobicContact CB-CB 4.07Å
19D89.6Confident87.5Confident6 Ų664.2 Ų64.23%0.03230%0.3CS..THydrogen-bonded Turntrans-68.6-31.2177.561.7-55.6000112.9W17 Q21 I22 W23 F37 Y39 I98W17-D19 WeakPolarHBondContact CB-OD1 3.45Å; W17-D19 PolarHBondContact O-N 3.08Å; W17-D19 VanDerWaalsContact O-N 3.13Å; D19-Q21 PolarHBondContact O-N 3.47Å; D19-I22 WeakPolarHBondContact O-CA 3.19Å; D19-I22 WeakPolarHBondContact O-CB 3.35Å; D19-I22 PolarHBondContact O-N 2.95Å; D19-W23 PolarHBondContact O-N 2.9Å; D19-F37 HydrophobicContact CB-CB 4.36Å; D19-F37 HydrophobicContact CB-CD1 3.53Å; D19-F37 HydrophobicContact CB-CD2 3.84Å; D19-F37 HydrophobicContact CB-CE1 3.64Å; D19-F37 HydrophobicContact CB-CE2 3.91Å; D19-F37 HydrophobicContact CB-CG 3.65Å; D19-F37 HydrophobicContact CB-CZ 3.82Å; D19-Y39 HydrophobicContact CB-CE2 4.45Å; D19-Y39 WeakPolarHBondContact CB-OH 3.35Å; D19-Y39 PolarHBondContact N-OH 2.8Å; D19-Y39 PolarHBondContact OD1-OH 3.31Å; D19-I98 WeakPolarHBondContact OD2-CD1 3.41Å
20D87.6Confident87.3Confident25 Ų2561.8 Ų61.813%0.13430%0.295CS..Hα-helixtrans-57.5-40178.5-64.8-14.5000111.3M16 W17 P18 I22 W23 W24M16-D20 HydrophobicContact CB-CB 4.34Å; M16-D20 HydrophobicContact CE-CB 3.88Å; M16-D20 WeakPolarHBondContact CE-OD2 3.37Å; W17-D20 WeakPolarHBondContact O-CB 3.15Å; W17-D20 PolarHBondContact O-N 2.85Å; P18-D20 VanDerWaalsContact C-N 3.34Å; D20-I22 PolarHBondContact O-N 3.19Å; D20-I22 VanDerWaalsContact O-N 3.15Å; D20-W23 VanDerWaalsContact CA-NE1 3.32Å; D20-W23 HydrophobicContact CB-CZ2 4.33Å; D20-W23 VanDerWaalsContact OD1-CE2 3.29Å; D20-W23 WeakPolarHBondContact OD1-CZ2 3.2Å; D20-W23 PolarHBondContact OD1-NE1 2.84Å; D20-W24 WeakPolarHBondContact O-CB 3.03Å; D20-W24 PolarHBondContact O-N 3.21Å
21Q88.8Confident87Confident103 Ų10360.3 Ų60.348%0.48129%0.285SS..Hα-helixtrans-60.2-27.4175.2-69.3-179.534.600113.3F13 D19 P25F13-Q21 HydrophobicContact CB-CG 3.48Å; F13-Q21 VanDerWaalsContact CB-CG 3.48Å; F13-Q21 HydrophobicContact CD1-CB 4.42Å; F13-Q21 HydrophobicContact CD1-CG 3.59Å; F13-Q21 HydrophobicContact CE1-CG 4.48Å; F13-Q21 HydrophobicContact CG-CG 3.66Å; F13-Q21 PolarHBondContact O-NE2 3.12Å; D19-Q21 PolarHBondContact O-N 3.47Å; Q21-P25 WeakPolarHBondContact O-CD 3.38Å
22I89.8Confident86.7Confident35 Ų3566.4 Ų66.418%0.17931%0.31CS..Hα-helixtrans-88.2-51.7-175.1-59.7170.1000110.3D19 D20 P25 Y26 F37 L46 H49D19-I22 WeakPolarHBondContact O-CA 3.19Å; D19-I22 WeakPolarHBondContact O-CB 3.35Å; D19-I22 PolarHBondContact O-N 2.95Å; D20-I22 PolarHBondContact O-N 3.19Å; D20-I22 VanDerWaalsContact O-N 3.15Å; I22-P25 WeakPolarHBondContact O-CD 3.33Å; I22-Y26 WeakPolarHBondContact O-CD2 3.45Å; I22-Y26 WeakPolarHBondContact O-CE2 3.18Å; I22-F37 HydrophobicContact CB-CE1 3.89Å; I22-F37 HydrophobicContact CB-CZ 4.21Å; I22-F37 HydrophobicContact CD1-CD1 4.39Å; I22-F37 HydrophobicContact CD1-CE1 3.82Å; I22-F37 HydrophobicContact CG1-CE1 4.44Å; I22-F37 HydrophobicContact CG2-CE1 3.9Å; I22-F37 HydrophobicContact CG2-CZ 4.16Å; I22-L46 HydrophobicContact CD1-CD2 3.32Å; I22-H49 HydrophobicContact CD1-CB 4.23Å
23W88.5Confident86.4Confident32 Ų3266.3 Ų66.312%0.12131%0.308CS..Hα-helixtrans-82-27.8-174.865.5-104.8000113.1D19 D20 Y26 F27 F33 F37D19-W23 PolarHBondContact O-N 2.9Å; D20-W23 VanDerWaalsContact CA-NE1 3.32Å; D20-W23 HydrophobicContact CB-CZ2 4.33Å; D20-W23 VanDerWaalsContact OD1-CE2 3.29Å; D20-W23 WeakPolarHBondContact OD1-CZ2 3.2Å; D20-W23 PolarHBondContact OD1-NE1 2.84Å; W23-Y26 PolarHBondContact O-N 3.38Å; W23-Y26 VanDerWaalsContact O-N 3.11Å; W23-F27 HydrophobicContact CE3-CB 4.03Å; W23-F27 HydrophobicContact CZ3-CB 4.05Å; W23-F27 HydrophobicContact CZ3-CD2 4.29Å; W23-F27 HydrophobicContact CZ3-CG 4.12Å; W23-F27 PolarHBondContact O-N 3.3Å; W23-F27 VanDerWaalsContact O-N 3.11Å; W23-F33 HydrophobicContact CB-CE2 3.64Å; W23-F33 HydrophobicContact CB-CZ 3.78Å; W23-F33 HydrophobicContact CE3-CZ 4.23Å; W23-F37 HydrophobicContact CB-CZ 4.2Å
24W87.8Confident86.3Confident20 Ų2068.7 Ų68.78%0.07632%0.32CS..Hα-helixtrans-57.5-42.3-175.8-173.9-94.2000114.7L8 F13 D20 Y26 F27 L28 C115L8-W24 HydrophobicContact CD2-CZ2 4.35Å; F13-W24 HydrophobicContact CE1-CB 3.98Å; F13-W24 AromaticContact CE1-CD1 3.98Å; F13-W24 AromaticContact CE1-CG 3.91Å; F13-W24 HydrophobicContact CE1-CG 3.91Å; F13-W24 HydrophobicContact CZ-CB 4.24Å; F13-W24 AromaticContact CZ-CD1 3.45Å; F13-W24 VanDerWaalsContact CZ-CD1 3.45Å; F13-W24 AromaticContact CZ-CG 3.86Å; F13-W24 HydrophobicContact CZ-CG 3.86Å; F13-W24 AromaticContact CZ-NE1 3.96Å; D20-W24 WeakPolarHBondContact O-CB 3.03Å; D20-W24 PolarHBondContact O-N 3.21Å; W24-Y26 VanDerWaalsContact C-N 3.28Å; W24-Y26 PolarHBondContact O-N 3.04Å; W24-F27 HydrophobicContact CE3-CD1 4.38Å; W24-F27 HydrophobicContact CH2-CD1 4.44Å; W24-F27 HydrophobicContact CH2-CE1 4.19Å; W24-F27 HydrophobicContact CZ3-CD1 4.29Å; W24-F27 HydrophobicContact CZ3-CE1 4.27Å; W24-F27 WeakPolarHBondContact O-CB 3.01Å; W24-F27 PolarHBondContact O-N 3.39Å; W24-L28 HydrophobicContact CZ2-CD2 4.11Å; W24-L28 VanDerWaalsContact NE1-CD1 3.31Å; W24-L28 PolarHBondContact O-N 3.23Å; W24-C115 HydrophobicContact CH2-CB 4.34Å; W24-C115 WeakPolarHBondContact CH2-SG 3.43Å; W24-C115 HydrophobicContact CZ2-CB 4.2Å
25P88.2Confident86.2Confident51 Ų5161.6 Ų61.633%0.33129%0.288SS..Hα-helixtrans-64.9-29.1177.4-23.235.6000113.8Q21 I22 R29Q21-P25 WeakPolarHBondContact O-CD 3.38Å; I22-P25 WeakPolarHBondContact O-CD 3.33Å; P25-R29 WeakPolarHBondContact O-CB 3.22Å; P25-R29 VanDerWaalsContact O-CG 3.3Å; P25-R29 WeakPolarHBondContact O-CG 3.49Å; P25-R29 PolarHBondContact O-N 3.33Å; P25-R29 PolarHBondContact O-NE 3.18Å
26Y87.9Confident86.1Confident55 Ų5558.8 Ų58.822%0.21627%0.272CS..Hα-helixtrans-73.4-40175-59.6-85.9000110.7I22 W23 W24 R29 N30 Q31 F33 I51 V53I22-Y26 WeakPolarHBondContact O-CD2 3.45Å; I22-Y26 WeakPolarHBondContact O-CE2 3.18Å; W23-Y26 PolarHBondContact O-N 3.38Å; W23-Y26 VanDerWaalsContact O-N 3.11Å; W24-Y26 VanDerWaalsContact C-N 3.28Å; W24-Y26 PolarHBondContact O-N 3.04Å; Y26-R29 VanDerWaalsContact CD1-NH2 3.32Å; Y26-R29 VanDerWaalsContact CE1-NH2 3.32Å; Y26-R29 PolarHBondContact O-N 3.17Å; Y26-N30 PolarHBondContact O-N 3.1Å; Y26-Q31 PolarHBondContact O-N 3.32Å; Y26-F33 VanDerWaalsContact CB-CD1 3.45Å; Y26-F33 HydrophobicContact CG-CD1 4.45Å; Y26-I51 HydrophobicContact CD1-CD1 4.49Å; Y26-I51 HydrophobicContact CD2-CD1 3.36Å; Y26-I51 HydrophobicContact CE2-CD1 3.44Å; Y26-I51 VanDerWaalsContact CE2-CD1 3.44Å; Y26-I51 HydrophobicContact CE2-CG1 4.35Å; Y26-I51 HydrophobicContact CE2-CG2 4.32Å; Y26-I51 HydrophobicContact CG-CD1 3.92Å; Y26-V53 HydrophobicContact CD1-CG1 3.41Å; Y26-V53 VanDerWaalsContact CD1-CG1 3.41Å; Y26-V53 HydrophobicContact CE1-CG1 3.4Å; Y26-V53 VanDerWaalsContact CE1-CG1 3.4Å; Y26-V53 HydrophobicContact CG-CG1 4.42Å
27F84.6Confident86.3Confident60 Ų6057.5 Ų57.526%0.26327%0.266SS..Hα-helixtrans-58.2-50.2171.6174.3-88.6000111.9W23 W24 R29 N30 F33 F104W23-F27 HydrophobicContact CE3-CB 4.03Å; W23-F27 HydrophobicContact CZ3-CB 4.05Å; W23-F27 HydrophobicContact CZ3-CD2 4.29Å; W23-F27 HydrophobicContact CZ3-CG 4.12Å; W23-F27 PolarHBondContact O-N 3.3Å; W23-F27 VanDerWaalsContact O-N 3.11Å; W24-F27 HydrophobicContact CE3-CD1 4.38Å; W24-F27 HydrophobicContact CH2-CD1 4.44Å; W24-F27 HydrophobicContact CH2-CE1 4.19Å; W24-F27 HydrophobicContact CZ3-CD1 4.29Å; W24-F27 HydrophobicContact CZ3-CE1 4.27Å; W24-F27 WeakPolarHBondContact O-CB 3.01Å; W24-F27 PolarHBondContact O-N 3.39Å; F27-R29 PolarHBondContact O-N 3.04Å; F27-N30 PolarHBondContact O-N 2.7Å; F27-F33 HydrophobicContact CB-CE1 4.29Å; F27-F104 AromaticContact CD2-CE2 3.71Å; F27-F104 HydrophobicContact CD2-CE2 3.71Å; F27-F104 HydrophobicContact CD2-CZ 4.07Å; F27-F104 HydrophobicContact CE1-CZ 4.5Å; F27-F104 HydrophobicContact CE2-CD2 4.48Å; F27-F104 AromaticContact CE2-CE2 3.21Å; F27-F104 HydrophobicContact CE2-CE2 3.21Å; F27-F104 AromaticContact CE2-CZ 3.23Å; F27-F104 HydrophobicContact CE2-CZ 3.23Å; F27-F104 AromaticContact CZ-CE2 3.97Å; F27-F104 HydrophobicContact CZ-CE2 3.97Å; F27-F104 AromaticContact CZ-CZ 3.47Å; F27-F104 HydrophobicContact CZ-CZ 3.47Å; F27-F104 VanDerWaalsContact CZ-CZ 3.47Å
28L86.1Confident86.2Confident56 Ų5655.3 Ų55.329%0.29326%0.26SS..Hα-helixtrans-63.3-27.2178.6-70.3-174.5000113.7L8 W24 N30 I109L8-L28 HydrophobicContact CD1-CD2 4.35Å; L8-L28 HydrophobicContact CD2-CD2 3.82Å; W24-L28 HydrophobicContact CZ2-CD2 4.11Å; W24-L28 VanDerWaalsContact NE1-CD1 3.31Å; W24-L28 PolarHBondContact O-N 3.23Å; L28-N30 PolarHBondContact O-N 3.29Å; L28-I109 HydrophobicContact CD2-CD1 4.4Å
29R85.3Confident86.2Confident139 Ų13953.1 Ų53.153%0.52525%0.246SC..THydrogen-bonded Turntrans-833.5174.9-72.5-177.8-69.5-170.73.1113.3P25 Y26 F27 Q31P25-R29 WeakPolarHBondContact O-CB 3.22Å; P25-R29 VanDerWaalsContact O-CG 3.3Å; P25-R29 WeakPolarHBondContact O-CG 3.49Å; P25-R29 PolarHBondContact O-N 3.33Å; P25-R29 PolarHBondContact O-NE 3.18Å; Y26-R29 VanDerWaalsContact CD1-NH2 3.32Å; Y26-R29 VanDerWaalsContact CE1-NH2 3.32Å; Y26-R29 PolarHBondContact O-N 3.17Å; F27-R29 PolarHBondContact O-N 3.04Å; R29-Q31 HydrophobicContact CB-CG 3.92Å; R29-Q31 PolarHBondContact O-N 3.01Å
30N82.6Confident85.8Confident112 Ų11254 Ų5460%0.59925%0.25SS*.THydrogen-bonded Turntrans53.233.4-173.9-161.430.2000112.5Y26 F27 L28 F104Y26-N30 PolarHBondContact O-N 3.1Å; F27-N30 PolarHBondContact O-N 2.7Å; L28-N30 PolarHBondContact O-N 3.29Å; N30-F104 WeakPolarHBondContact OD1-CB 3.38Å
31Q80.5Confident85.5Confident65 Ų6559.7 Ų59.730%0.30428%0.276SS..  trans-88.3136.7178.2-72.4-179.3-8.900109.6Y26 R29 F33Y26-Q31 PolarHBondContact O-N 3.32Å; R29-Q31 HydrophobicContact CB-CG 3.92Å; R29-Q31 PolarHBondContact O-N 3.01Å; Q31-F33 WeakPolarHBondContact O-CD1 3.2Å
32K82.8Confident85.3Confident138 Ų13859.7 Ų59.760%0.628%0.278SS*.  trans-76.1129.7170.1-64.8-179.2-177.7176.30108.4V53 D54 I55K32-V53 CarbonylContact O-C 3.21Å; K32-V53 WeakPolarHBondContact O-CA 3.24Å; K32-D54 PolarHBondContact O-N 3.16Å; K32-I55 HydrophobicContact CB-CG1 3.99Å
33F84.5Confident84.8Confident15 Ų1560.5 Ų60.57%0.06628%0.282CS..EExtended strand (participates in β ladder)trans-141.4154.2177.363.6-89.5000110.9W23 Y26 F27 Q31 A35 I51 T52 V53 V100W23-F33 HydrophobicContact CB-CE2 3.64Å; W23-F33 HydrophobicContact CB-CZ 3.78Å; W23-F33 HydrophobicContact CE3-CZ 4.23Å; Y26-F33 VanDerWaalsContact CB-CD1 3.45Å; Y26-F33 HydrophobicContact CG-CD1 4.45Å; F27-F33 HydrophobicContact CB-CE1 4.29Å; Q31-F33 WeakPolarHBondContact O-CD1 3.2Å; F33-A35 HydrophobicContact CD2-CB 4.17Å; F33-A35 HydrophobicContact CE2-CB 4.37Å; F33-I51 HydrophobicContact CB-CD1 4.16Å; F33-I51 HydrophobicContact CB-CG1 4.05Å; F33-I51 HydrophobicContact CD2-CD1 3.75Å; F33-I51 HydrophobicContact CD2-CG1 4.21Å; F33-I51 HydrophobicContact CE2-CD1 4.42Å; F33-I51 HydrophobicContact CG-CD1 4.04Å; F33-I51 HydrophobicContact CG-CG1 4.41Å; F33-T52 CarbonylContact C-O 3.43Å; F33-T52 WeakPolarHBondContact CA-O 3.44Å; F33-V53 HydrophobicContact CB-CG1 4.25Å; F33-V100 HydrophobicContact CE2-CB 4.09Å; F33-V100 HydrophobicContact CE2-CG1 4.34Å; F33-V100 HydrophobicContact CZ-CB 4.47Å; F33-V100 HydrophobicContact CZ-CG1 4.22Å
34Q85.8Confident84.3Confident102 Ų10266.1 Ų66.148%0.47731%0.309SS..EExtended strand (participates in β ladder)trans-113.4130.9163.1-179.3174.9-1.300107.3I51 T52 I55Q34-I51 CarbonylContact O-C 3.49Å; Q34-I51 WeakPolarHBondContact O-CA 3.49Å; Q34-T52 PolarHBondContact N-O 3.25Å; Q34-T52 PolarHBondContact O-N 3Å; Q34-I55 HydrophobicContact CB-CD1 4.21Å; Q34-I55 HydrophobicContact CB-CG2 4.09Å
35A84.3Confident84Confident4 Ų472.1 Ų72.13%0.03334%0.336CS..EExtended strand (participates in β ladder)trans-122.4154.5177.800000111.5F33 F37 E50 I51F33-A35 HydrophobicContact CD2-CB 4.17Å; F33-A35 HydrophobicContact CE2-CB 4.37Å; A35-F37 HydrophobicContact CB-CD2 4.15Å; A35-F37 HydrophobicContact CB-CE2 3.35Å; A35-F37 HydrophobicContact CB-CZ 3.71Å; A35-E50 CarbonylContact C-O 3.47Å; A35-E50 WeakPolarHBondContact CA-O 3.47Å; A35-I51 HydrophobicContact CB-CD1 4.33Å; A35-I51 HydrophobicContact CB-CG1 4.34Å
36Y85Confident84Confident63 Ų6371.3 Ų71.325%0.24733%0.328CS..EExtended strand (participates in β ladder)trans-132.7130.7170.1171.2-94.5000107.6L38 H49 E50 I97Y36-L38 HydrophobicContact CE1-CB 3.88Å; Y36-H49 CarbonylContact O-C 3.47Å; Y36-H49 WeakPolarHBondContact O-CA 3.4Å; Y36-E50 PolarHBondContact N-O 3.24Å; Y36-E50 PolarHBondContact O-N 3.13Å; Y36-I97 HydrophobicContact CD2-CG2 4.25Å; Y36-I97 HydrophobicContact CE2-CD1 4.49Å; Y36-I97 HydrophobicContact CE2-CG1 4.07Å
37F88.5Confident84Confident1 Ų173.7 Ų73.70%0.00434%0.344CS..EExtended strand (participates in β ladder)trans-131.1115.8-179.1-62-76.8000109.2D19 I22 W23 A35 Y39 L46 H49 I98D19-F37 HydrophobicContact CB-CB 4.36Å; D19-F37 HydrophobicContact CB-CD1 3.53Å; D19-F37 HydrophobicContact CB-CD2 3.84Å; D19-F37 HydrophobicContact CB-CE1 3.64Å; D19-F37 HydrophobicContact CB-CE2 3.91Å; D19-F37 HydrophobicContact CB-CG 3.65Å; D19-F37 HydrophobicContact CB-CZ 3.82Å; I22-F37 HydrophobicContact CB-CE1 3.89Å; I22-F37 HydrophobicContact CB-CZ 4.21Å; I22-F37 HydrophobicContact CD1-CD1 4.39Å; I22-F37 HydrophobicContact CD1-CE1 3.82Å; I22-F37 HydrophobicContact CG1-CE1 4.44Å; I22-F37 HydrophobicContact CG2-CE1 3.9Å; I22-F37 HydrophobicContact CG2-CZ 4.16Å; W23-F37 HydrophobicContact CB-CZ 4.2Å; A35-F37 HydrophobicContact CB-CD2 4.15Å; A35-F37 HydrophobicContact CB-CE2 3.35Å; A35-F37 HydrophobicContact CB-CZ 3.71Å; F37-Y39 HydrophobicContact CB-CD2 4.45Å; F37-Y39 HydrophobicContact CB-CE2 4.08Å; F37-L46 HydrophobicContact CB-CD1 3.79Å; F37-L46 HydrophobicContact CD1-CD1 3.83Å; F37-L46 HydrophobicContact CD1-CD2 4.27Å; F37-L46 HydrophobicContact CG-CD1 4.29Å; F37-H49 HydrophobicContact CD1-CB 3.52Å; F37-H49 HydrophobicContact CE1-CB 3.8Å; F37-I98 HydrophobicContact CD2-CB 4.34Å
38L84.8Confident84.1Confident32 Ų3277.5 Ų77.517%0.16836%0.356CS..EExtended strand (participates in β ladder)trans-97.8118.7173.3177.463.6000108.8Y36 I47 R48 S95Y36-L38 HydrophobicContact CE1-CB 3.88Å; L38-I47 HydrophobicContact CD2-CB 4.24Å; L38-I47 HydrophobicContact CD2-CG2 3.98Å; L38-I47 HydrophobicContact CG-CB 4.14Å; L38-I47 HydrophobicContact CG-CG2 4.44Å; L38-I47 WeakPolarHBondContact O-CA 3.21Å; L38-I47 WeakPolarHBondContact O-CB 3.22Å; L38-I47 PolarHBondContact O-N 3.26Å; L38-R48 HydrophobicContact CB-CB 3.95Å; L38-R48 HydrophobicContact CD2-CB 4.14Å; L38-R48 PolarHBondContact N-O 3.42Å; L38-R48 PolarHBondContact O-N 3.4Å; L38-S95 VanDerWaalsContact CD1-CB 3.45Å; L38-S95 WeakPolarHBondContact CD1-OG 2.74Å
39Y86.8Confident84.3Confident2 Ų279.3 Ų79.31%0.00836%0.363CS..EExtended strand (participates in β ladder)trans-96.3162.2172.9-81-87.8000111.6W17 P18 D19 F37 K45 L46W17-Y39 HydrophobicContact CE3-CE1 4.19Å; W17-Y39 HydrophobicContact CE3-CE2 4.02Å; W17-Y39 AromaticContact CE3-CZ 3.72Å; W17-Y39 HydrophobicContact CZ3-CD2 4.49Å; W17-Y39 HydrophobicContact CZ3-CE2 4.2Å; P18-Y39 WeakPolarHBondContact CD-OH 2.88Å; P18-Y39 HydrophobicContact CG-CE1 4.19Å; D19-Y39 HydrophobicContact CB-CE2 4.45Å; D19-Y39 WeakPolarHBondContact CB-OH 3.35Å; D19-Y39 PolarHBondContact N-OH 2.8Å; D19-Y39 PolarHBondContact OD1-OH 3.31Å; F37-Y39 HydrophobicContact CB-CD2 4.45Å; F37-Y39 HydrophobicContact CB-CE2 4.08Å; Y39-K45 CarbonylContact C-O 3.43Å; Y39-K45 WeakPolarHBondContact CA-O 3.49Å; Y39-L46 HydrophobicContact CD2-CD1 4.26Å; Y39-L46 HydrophobicContact CE1-CB 4.2Å; Y39-L46 HydrophobicContact CE1-CD1 4.38Å; Y39-L46 HydrophobicContact CE2-CD1 3.95Å
40D82.5Confident84.4Confident25 Ų2576.9 Ų76.913%0.13436%0.358CS..PPolyproline II helixtrans-70.7172.2168.274.6-19.5000112.4L42 Q43 E44 K45 I47D40-L42 PolarHBondContact O-N 2.58Å; D40-Q43 PolarHBondContact O-N 3.1Å; D40-Q43 WeakPolarHBondContact OD1-CA 3.3Å; D40-Q43 PolarHBondContact OD1-N 2.86Å; D40-E44 PolarHBondContact OD1-N 3.43Å; D40-K45 HydrophobicContact CB-CB 4.4Å; D40-K45 PolarHBondContact N-O 3.46Å; D40-K45 PolarHBondContact OD1-N 2.05Å; D40-K45 VanDerWaalsContact OD1-N 3.09Å; D40-I47 VanDerWaalsContact CA-CD1 3.43Å; D40-I47 HydrophobicContact CB-CD1 3.69Å; D40-I47 HydrophobicContact CB-CG1 3.98Å
41H81.6Confident84.7Confident144 Ų14473.6 Ų73.667%0.66734%0.34SS*.THydrogen-bonded Turntrans-57.8-29.3-179.866.5-66.1000113.6
42L83.9Confident85.1Confident102 Ų10274.5 Ų74.553%0.53435%0.35SS..THydrogen-bonded Turntrans-86.9-8.9177.1-60.1178.9000113.3D40 E44D40-L42 PolarHBondContact O-N 2.58Å; L42-E44 HydrophobicContact CB-CG 4.15Å; L42-E44 PolarHBondContact O-N 2.72Å
43Q78.3Confident85.3Confident53 Ų5370.4 Ų70.425%0.24834%0.336CS..SBendtrans62.422-176.9-50.9-177.7-16.600114.2W17 D40 I96W17-Q43 HydrophobicContact CH2-CB 4.45Å; D40-Q43 PolarHBondContact O-N 3.1Å; D40-Q43 WeakPolarHBondContact OD1-CA 3.3Å; D40-Q43 PolarHBondContact OD1-N 2.86Å; Q43-I96 HydrophobicContact CG-CD1 4.28Å
44E78.8Confident85.1Confident150 Ų15075.3 Ų75.370%0.70136%0.363SS*.SBendtrans-97-33.7179.6-64.9-176.817200111.2D40 L42D40-E44 PolarHBondContact OD1-N 3.43Å; L42-E44 HydrophobicContact CB-CG 4.15Å; L42-E44 PolarHBondContact O-N 2.72Å
45K81.2Confident84.6Confident145 Ų14572.4 Ų72.463%0.6335%0.351SS*.SBendtrans-115.3126.2-174.4-170.1175.8179.7179.10111.4Y39 D40 I47Y39-K45 CarbonylContact C-O 3.43Å; Y39-K45 WeakPolarHBondContact CA-O 3.49Å; D40-K45 HydrophobicContact CB-CB 4.4Å; D40-K45 PolarHBondContact N-O 3.46Å; D40-K45 PolarHBondContact OD1-N 2.05Å; D40-K45 VanDerWaalsContact OD1-N 3.09Å; K45-I47 PolarHBondContact O-N 3.24Å
46L87.5Confident83.7Confident34 Ų3477.9 Ų77.918%0.17839%0.389CS..EExtended strand (participates in β ladder)trans-71.7115.4168.8-174.469.7000109.6P18 I22 F37 Y39 H49P18-L46 HydrophobicContact CB-CB 4.07Å; I22-L46 HydrophobicContact CD1-CD2 3.32Å; F37-L46 HydrophobicContact CB-CD1 3.79Å; F37-L46 HydrophobicContact CD1-CD1 3.83Å; F37-L46 HydrophobicContact CD1-CD2 4.27Å; F37-L46 HydrophobicContact CG-CD1 4.29Å; Y39-L46 HydrophobicContact CD2-CD1 4.26Å; Y39-L46 HydrophobicContact CE1-CB 4.2Å; Y39-L46 HydrophobicContact CE1-CD1 4.38Å; Y39-L46 HydrophobicContact CE2-CD1 3.95Å; L46-H49 HydrophobicContact CD1-CB 4.46Å; L46-H49 HydrophobicContact CD2-CB 4.09Å
47I89.5Confident82.5Confident106 Ų10679 Ų7954%0.54440%0.401SS..EExtended strand (participates in β ladder)trans-85.7-46.8179.9-65.3-178.7000111.1L38 D40 K45L38-I47 HydrophobicContact CD2-CB 4.24Å; L38-I47 HydrophobicContact CD2-CG2 3.98Å; L38-I47 HydrophobicContact CG-CB 4.14Å; L38-I47 HydrophobicContact CG-CG2 4.44Å; L38-I47 WeakPolarHBondContact O-CA 3.21Å; L38-I47 WeakPolarHBondContact O-CB 3.22Å; L38-I47 PolarHBondContact O-N 3.26Å; D40-I47 VanDerWaalsContact CA-CD1 3.43Å; D40-I47 HydrophobicContact CB-CD1 3.69Å; D40-I47 HydrophobicContact CB-CG1 3.98Å; K45-I47 PolarHBondContact O-N 3.24Å
48R86.3Confident80.5Confident139 Ų13985 Ų8553%0.52543%0.434SS..EExtended strand (participates in β ladder)trans-144.5144.8-178.1-179.8-177.5-178.4175.46.4109.2L38 E50L38-R48 HydrophobicContact CB-CB 3.95Å; L38-R48 HydrophobicContact CD2-CB 4.14Å; L38-R48 PolarHBondContact N-O 3.42Å; L38-R48 PolarHBondContact O-N 3.4Å; R48-E50 IonicContact CZ-OE1 3Å; R48-E50 IonicContact NE-OE1 2.96Å; R48-E50 PolarHBondContact NE-OE1 2.95Å; R48-E50 IonicContact NH2-OE1 2.58Å; R48-E50 PolarHBondContact NH2-OE1 3.19Å
49H90.3Very high78.8Confident94 Ų9487.9 Ų87.944%0.43545%0.448SS..EExtended strand (participates in β ladder)trans-139.4150.91686588.1000110.9I22 Y36 F37 L46I22-H49 HydrophobicContact CD1-CB 4.23Å; Y36-H49 CarbonylContact O-C 3.47Å; Y36-H49 WeakPolarHBondContact O-CA 3.4Å; F37-H49 HydrophobicContact CD1-CB 3.52Å; F37-H49 HydrophobicContact CE1-CB 3.8Å; L46-H49 HydrophobicContact CD1-CB 4.46Å; L46-H49 HydrophobicContact CD2-CB 4.09Å
50E87.7Confident76.5Confident89 Ų8996.7 Ų96.742%0.41649%0.487SS..EExtended strand (participates in β ladder)trans-135.7135172.1-61.9179.3-175.900107.8A35 Y36 R48A35-E50 CarbonylContact C-O 3.47Å; A35-E50 WeakPolarHBondContact CA-O 3.47Å; Y36-E50 PolarHBondContact N-O 3.24Å; Y36-E50 PolarHBondContact O-N 3.13Å; R48-E50 IonicContact CZ-OE1 3Å; R48-E50 IonicContact NE-OE1 2.96Å; R48-E50 PolarHBondContact NE-OE1 2.95Å; R48-E50 IonicContact NH2-OE1 2.58Å; R48-E50 PolarHBondContact NH2-OE1 3.19Å
51I89Confident74.4Confident43 Ų4398.5 Ų98.522%0.22151%0.511CS..EExtended strand (participates in β ladder)trans-132.9126.6174.3-170.3154.3000108.8Y26 F33 Q34 A35Y26-I51 HydrophobicContact CD1-CD1 4.49Å; Y26-I51 HydrophobicContact CD2-CD1 3.36Å; Y26-I51 HydrophobicContact CE2-CD1 3.44Å; Y26-I51 VanDerWaalsContact CE2-CD1 3.44Å; Y26-I51 HydrophobicContact CE2-CG1 4.35Å; Y26-I51 HydrophobicContact CE2-CG2 4.32Å; Y26-I51 HydrophobicContact CG-CD1 3.92Å; F33-I51 HydrophobicContact CB-CD1 4.16Å; F33-I51 HydrophobicContact CB-CG1 4.05Å; F33-I51 HydrophobicContact CD2-CD1 3.75Å; F33-I51 HydrophobicContact CD2-CG1 4.21Å; F33-I51 HydrophobicContact CE2-CD1 4.42Å; F33-I51 HydrophobicContact CG-CD1 4.04Å; F33-I51 HydrophobicContact CG-CG1 4.41Å; Q34-I51 CarbonylContact O-C 3.49Å; Q34-I51 WeakPolarHBondContact O-CA 3.49Å; A35-I51 HydrophobicContact CB-CD1 4.33Å; A35-I51 HydrophobicContact CB-CG1 4.34Å
52T87.6Confident72.2Confident83 Ų83103.7 Ų103.751%0.50953%0.525SS..EExtended strand (participates in β ladder)trans-115.2118.8175.5-58.40000107.6F33 Q34 I55F33-T52 CarbonylContact C-O 3.43Å; F33-T52 WeakPolarHBondContact CA-O 3.44Å; Q34-T52 PolarHBondContact N-O 3.25Å; Q34-T52 PolarHBondContact O-N 3Å; T52-I55 HydrophobicContact CG2-CG2 4.04Å
53V87.1Confident69.7Low52 Ų52103.4 Ų103.432%0.31554%0.537SS..EExtended strand (participates in β ladder)trans-92.5168.3178.3-64.30000111Y26 K32 F33 I55Y26-V53 HydrophobicContact CD1-CG1 3.41Å; Y26-V53 VanDerWaalsContact CD1-CG1 3.41Å; Y26-V53 HydrophobicContact CE1-CG1 3.4Å; Y26-V53 VanDerWaalsContact CE1-CG1 3.4Å; Y26-V53 HydrophobicContact CG-CG1 4.42Å; K32-V53 CarbonylContact O-C 3.21Å; K32-V53 WeakPolarHBondContact O-CA 3.24Å; F33-V53 HydrophobicContact CB-CG1 4.25Å; V53-I55 PolarHBondContact O-N 3.36Å
54D79.9Confident67.4Low118 Ų118108.9 Ų108.963%0.63157%0.567SS**SBendtrans59.733.4174.1-55.7-48.7000113.6K32 S56K32-D54 PolarHBondContact O-N 3.16Å; D54-S56 PolarHBondContact O-N 2.85Å
55I76.6Confident65Low42 Ų42105.6 Ų105.622%0.21557%0.574CS.*  trans-64.5122.7178.155154.7000111K32 Q34 T52 V53 V57K32-I55 HydrophobicContact CB-CG1 3.99Å; Q34-I55 HydrophobicContact CB-CD1 4.21Å; Q34-I55 HydrophobicContact CB-CG2 4.09Å; T52-I55 HydrophobicContact CG2-CG2 4.04Å; V53-I55 PolarHBondContact O-N 3.36Å; I55-V57 HydrophobicContact CD1-CG2 4.34Å
56S64.9Low62.5Low119 Ų119104.4 Ų104.483%0.83258%0.578SS**  trans-90.2105.1170.4-68.60000109.2D54 N58D54-S56 PolarHBondContact O-N 2.85Å; S56-N58 PolarHBondContact O-N 3.06Å; S56-N58 VanDerWaalsContact O-N 3.13Å
57V59.7Low59.5Low85 Ų85108.9 Ų108.952%0.51561%0.612SS.*  trans-74.6103.3176-174.60000108.8I55 I59 L138I55-V57 HydrophobicContact CD1-CG2 4.34Å; V57-I59 HydrophobicContact CG1-CG1 3.97Å; V57-I59 PolarHBondContact O-N 3.36Å; V57-L138 HydrophobicContact CG1-CD2 3.97Å
58N46.5Very low56.7Low128 Ų128108.9 Ų108.968%0.68462%0.617SS**  trans-89.693.7172.1-165.8-39.9000109.4S56 K60S56-N58 PolarHBondContact O-N 3.06Å; S56-N58 VanDerWaalsContact O-N 3.13Å; N58-K60 PolarHBondContact O-N 3.46Å
59I50.1Low53.8Low93 Ų93106.9 Ų106.948%0.47762%0.624SS.*  trans-74.794170.1-51.1166.6000106.9V57 G61 L70 L138V57-I59 HydrophobicContact CG1-CG1 3.97Å; V57-I59 PolarHBondContact O-N 3.36Å; I59-G61 PolarHBondContact O-N 3.26Å; I59-L70 HydrophobicContact CD1-CD1 4.3Å; I59-L138 HydrophobicContact CD1-CD1 3.74Å; I59-L138 HydrophobicContact CD1-CD2 3.77Å; I59-L138 HydrophobicContact CD1-CG 4.3Å; I59-L138 HydrophobicContact CG1-CD2 4.11Å
60K38.3Very low50.9Low187 Ų187108.4 Ų108.481%0.81364%0.635SS**  trans-70.383.4162.1-75.8-170.6178.7-179.90108N58 R62N58-K60 PolarHBondContact O-N 3.46Å; K60-R62 PolarHBondContact O-N 3.25Å; K60-R62 VanDerWaalsContact O-N 3.08Å
61G38Very low48.2Very low62 Ų62111.6 Ų111.664%0.63966%0.655SS**  trans-56.3112.6172.100000109.3I59 A63I59-G61 PolarHBondContact O-N 3.26Å; G61-A63 PolarHBondContact O-N 3.18Å; G61-A63 VanDerWaalsContact O-N 3.16Å
62R34.4Very low45.3Very low254 Ų254118.1 Ų118.196%0.95868%0.682SS**  trans-69.4111.5165.3-146.6177-162.7176.83.6105.7K60 L64K60-R62 PolarHBondContact O-N 3.25Å; K60-R62 VanDerWaalsContact O-N 3.08Å; R62-L64 PolarHBondContact O-N 3.34Å
63A32.6Very low42.4Very low96 Ų96120.6 Ų120.679%0.79370%0.697SS**  trans-49.7107.7-170.100000113.2G61G61-A63 PolarHBondContact O-N 3.18Å; G61-A63 VanDerWaalsContact O-N 3.16Å
64L30.2Very low39.6Very low168 Ų168123.8 Ų123.888%0.8872%0.716SS**SBendtrans-111.287.1132-83164.9000105.9R62 V66R62-L64 PolarHBondContact O-N 3.34Å; L64-V66 VanDerWaalsContact C-N 3.31Å; L64-V66 PolarHBondContact O-N 2.91Å
65G27.5Very low36.9Very low81 Ų81123.3 Ų123.384%0.83572%0.722SS**SBendtrans53.116152.600000121.4
66V29.1Very low34.6Very low120 Ų120127.6 Ų127.673%0.72775%0.749SS**  trans-130.1110.1177.4-169.40000110.6L64 V68L64-V66 VanDerWaalsContact C-N 3.31Å; L64-V66 PolarHBondContact O-N 2.91Å; V66-V68 HydrophobicContact CG1-CG2 3.76Å; V66-V68 PolarHBondContact O-N 3.47Å
67S25.3Very low32.8Very low127 Ų127133 Ų13389%0.88875%0.752SS**  trans-83.6102.8169.6-165.40000108.1
68V29.2Very low31.2Very low106 Ų106140.7 Ų140.764%0.64277%0.771SS**  trans-94.8102.1174.1-174.10000108.3V66 L70V66-V68 HydrophobicContact CG1-CG2 3.76Å; V66-V68 PolarHBondContact O-N 3.47Å; V68-L70 PolarHBondContact O-N 3.41Å
69S25.8Very low30.3Very low98 Ų98139.9 Ų139.969%0.68578%0.776SS**  trans-76.6106.6167.6-1730000108.5N71S69-N71 PolarHBondContact O-N 2.77Å
70L30.5Very low29.2Very low125 Ų125142.9 Ų142.965%0.65479%0.791SS**THydrogen-bonded Turntrans-73.977.1178.7-78.4158.8000110.4I59 V68I59-L70 HydrophobicContact CD1-CD1 4.3Å; V68-L70 PolarHBondContact O-N 3.41Å
71N30.2Very low28.8Very low157 Ų157143.7 Ų143.784%0.8480%0.795SS**THydrogen-bonded Turntrans-148.513.4158.5-92-24.3000112.5S69S69-N71 PolarHBondContact O-N 2.77Å
72K28Very low28.5Very low179 Ų179145.5 Ų145.578%0.77880%0.804SS**SBendtrans-141114.4174-74-177.3177.6175.20109.6V74K72-V74 PolarHBondContact O-N 3.16Å; K72-V74 VanDerWaalsContact O-N 3.09Å
73V27.6Very low28.2Very low136 Ų136136.7 Ų136.782%0.82479%0.792SS**  trans-60.4107.7167.11770000107.2
74V26.7Very low28.3Very low118 Ų118135.6 Ų135.672%0.71578%0.783SS**  trans-90.7111.5170.2177.20000107.1K72 V76K72-V74 PolarHBondContact O-N 3.16Å; K72-V74 VanDerWaalsContact O-N 3.09Å; V74-V76 PolarHBondContact O-N 2.92Å
75S24.1Very low28.6Very low109 Ų109135.1 Ų135.176%0.76277%0.774SS**  trans-54.4114.9171.9-179.50000110.6
76V28.5Very low28.9Very low131 Ų131134.1 Ų134.179%0.79476%0.763SS**  trans-104121.2169.3-179.40000108.5V74V74-V76 PolarHBondContact O-N 2.92Å
77R26.5Very low29.4Very low232 Ų232132.9 Ų132.988%0.87575%0.752SS**  trans-67.8135-179.9-81.4-177.5167.4-162.3-2.5112
78R25.2Very low29.8Very low247 Ų247131.1 Ų131.193%0.93274%0.736SS**  trans14.6105.5151.6-77.3-178.9170.9-179-3.9116.6
79S28.2Very low29.8Very low111 Ų111134 Ų13478%0.77674%0.735SS**  trans-158.1103.2144-109.80000110.9
80I28.1Very low30.1Very low156 Ų156132.4 Ų132.480%0.872%0.718SS**  trans31.897.4137.1-48.3169.9000115.2
81F28.2Very low30.1Very low205 Ų205131.7 Ų131.790%0.89973%0.73SS**  trans-169122.9135.8-113.5-81.5000109.4
82A32.4Very low30.3Very low100 Ų100128.4 Ų128.483%0.82673%0.734SS**  trans-88.1126.8-174.400000111.8
83G28.2Very low30.6Very low69 Ų69121.7 Ų121.771%0.71171%0.712SS**  trans53.2106.8143.400000120.5
84A35Very low31.3Very low72 Ų72119.5 Ų119.560%0.59570%0.702SS**  trans-155.4118.3147.100000111.9G86 W136A84-G86 PolarHBondContact O-N 3.16Å; A84-W136 WeakPolarHBondContact O-CH2 3.42Å; A84-W136 WeakPolarHBondContact O-CZ3 3.08Å
85F35.9Very low31.9Very low159 Ų159115.6 Ų115.670%0.69768%0.68SS**  trans-58.8116.5156.1-102.9-101.6000108I87F85-I87 PolarHBondContact O-N 3.09Å
86G35.1Very low32.9Very low59 Ų59110.7 Ų110.761%0.60865%0.646SS**  trans-78.684.2177.800000111.9A84 V88A84-G86 PolarHBondContact O-N 3.16Å; G86-V88 PolarHBondContact O-N 3.2Å
87I37.8Very low33.4Very low94 Ų94107.5 Ų107.548%0.48262%0.623SS.*  trans-77.6106.3163.3-60.7174.1000107.1F85 R89 I96F85-I87 PolarHBondContact O-N 3.09Å; I87-R89 PolarHBondContact O-N 3Å; I87-I96 HydrophobicContact CG2-CG2 3.89Å
88V35.7Very low34.3Very low91 Ų9197.7 Ų97.755%0.55259%0.588SS**EExtended strand (participates in β ladder)trans-82.495.4171.6-176.10000108.1G86G86-V88 PolarHBondContact O-N 3.2Å
89R28.5Very low35.1Very low166 Ų16689.8 Ų89.863%0.62657%0.567SS**EExtended strand (participates in β ladder)trans-86.3110.9167.7-166175-174.6141.22108.2I87 A91I87-R89 PolarHBondContact O-N 3Å; R89-A91 PolarHBondContact O-N 2.89Å
90L32.8Very low35.8Very low64 Ų6486 Ų8634%0.33554%0.54SS..  trans-69.3120.1168.6-68.6170.7000108.1G92 A93 I97 L147L90-G92 PolarHBondContact O-N 3.11Å; L90-G92 VanDerWaalsContact O-N 3.1Å; L90-A93 HydrophobicContact CB-CB 3.83Å; L90-A93 PolarHBondContact O-N 3.21Å; L90-A93 VanDerWaalsContact O-N 3.1Å; L90-I97 HydrophobicContact CD1-CD1 4.46Å; L90-L147 HydrophobicContact CD2-CD1 4.03Å; L90-L147 HydrophobicContact CD2-CD2 4.31Å
91A29.1Very low36.3Very low110 Ų11081.3 Ų81.391%0.90952%0.524SS*.THydrogen-bonded Turntrans-57.9117.1175.200000109.5R89R89-A91 PolarHBondContact O-N 2.89Å
92G34.4Very low36.9Very low89 Ų8974 Ų7492%0.91850%0.501SS*.THydrogen-bonded Turntrans95.5-1.6-179.400000116.3L90L90-G92 PolarHBondContact O-N 3.11Å; L90-G92 VanDerWaalsContact O-N 3.1Å
93A34.6Very low37.3Very low38 Ų3872.5 Ų72.531%0.31448%0.483SS..  trans-96.7133.5174.500000111.3L90 S95L90-A93 HydrophobicContact CB-CB 3.83Å; L90-A93 PolarHBondContact O-N 3.21Å; L90-A93 VanDerWaalsContact O-N 3.1Å; A93-S95 PolarHBondContact O-N 3.28Å
94S43.4Very low37.9Very low89 Ų8973.5 Ų73.562%0.62247%0.468SS*.SBendtrans-7010.7169.4-40.10000113.1
95S37.4Very low37.9Very low36 Ų3672 Ų7225%0.25246%0.46SS..  trans-126.9127.6-169-49.40000109.8L38 A93L38-S95 VanDerWaalsContact CD1-CB 3.45Å; L38-S95 WeakPolarHBondContact CD1-OG 2.74Å; A93-S95 PolarHBondContact O-N 3.28Å
96I45.9Very low37.9Very low7 Ų774 Ų744%0.03647%0.471CS..EExtended strand (participates in β ladder)trans-87.9138.5165.7-59.6174.8000106.9W17 Q43 I87 I98W17-I96 HydrophobicContact CH2-CD1 4.27Å; W17-I96 HydrophobicContact CZ3-CD1 4.09Å; Q43-I96 HydrophobicContact CG-CD1 4.28Å; I87-I96 HydrophobicContact CG2-CG2 3.89Å; I96-I98 HydrophobicContact CG2-CD1 4.3Å; I96-I98 HydrophobicContact CG2-CG1 3.62Å
97I40Very low38.1Very low63 Ų6377.3 Ų77.332%0.32347%0.471SS..EExtended strand (participates in β ladder)trans-111.2110.8167.4-55-175.8000106.4Y36 L90 V99Y36-I97 HydrophobicContact CD2-CG2 4.25Å; Y36-I97 HydrophobicContact CE2-CD1 4.49Å; Y36-I97 HydrophobicContact CE2-CG1 4.07Å; L90-I97 HydrophobicContact CD1-CD1 4.46Å; I97-V99 HydrophobicContact CG2-CG2 3.92Å
98I45.2Very low38Very low26 Ų2684.1 Ų84.113%0.13349%0.49CS..  trans-99.7105.9174.4-51.9179.1000107.1D19 F37 I96 V100D19-I98 WeakPolarHBondContact OD2-CD1 3.41Å; F37-I98 HydrophobicContact CD2-CB 4.34Å; I96-I98 HydrophobicContact CG2-CD1 4.3Å; I96-I98 HydrophobicContact CG2-CG1 3.62Å; I98-V100 HydrophobicContact CG2-CG2 3.77Å
99V41.3Very low38.3Very low82 Ų8284.3 Ų84.350%0.49749%0.487SS..  trans-98.9102.6169.9-175.80000107.7I97 A101I97-V99 HydrophobicContact CG2-CG2 3.92Å; V99-A101 PolarHBondContact O-N 3.32Å
100V43.9Very low38.8Very low32 Ų3279.1 Ų79.119%0.19448%0.476CS..  trans-86.9106172.3-172.80000108F33 I98F33-V100 HydrophobicContact CE2-CB 4.09Å; F33-V100 HydrophobicContact CE2-CG1 4.34Å; F33-V100 HydrophobicContact CZ-CB 4.47Å; F33-V100 HydrophobicContact CZ-CG1 4.22Å; I98-V100 HydrophobicContact CG2-CG2 3.77Å
101A38.6Very low39.1Very low57 Ų5781.3 Ų81.347%0.47150%0.504SS..  trans-115.589.5167.500000107.8V99 P103V99-A101 PolarHBondContact O-N 3.32Å; A101-P103 WeakPolarHBondContact O-CD 3.5Å
102A40.5Very low40Very low50 Ų5080.3 Ų80.341%0.41348%0.483SS..  trans-91.9116.3176.600000109.9F104A102-F104 HydrophobicContact CB-CD2 3.94Å; A102-F104 HydrophobicContact CB-CE2 4.03Å; A102-F104 PolarHBondContact O-N 3.11Å; A102-F104 VanDerWaalsContact O-N 3.16Å
103P40Very low41Very low70 Ų7082.4 Ų82.446%0.45547%0.469SS..  trans-76.296.9166.129.7-28.8000108.1A101 G105 D135A101-P103 WeakPolarHBondContact O-CD 3.5Å; P103-G105 PolarHBondContact O-N 3.04Å; P103-D135 HydrophobicContact CG-CB 4.18Å; P103-D135 WeakPolarHBondContact CG-O 3.44Å
104F40.3Very low41.4Very low90 Ų9082.1 Ų82.140%0.39547%0.465SS..  trans-77.4106.1173.3-102.2-88.4000110.9F27 N30 A102F27-F104 AromaticContact CD2-CE2 3.71Å; F27-F104 HydrophobicContact CD2-CE2 3.71Å; F27-F104 HydrophobicContact CD2-CZ 4.07Å; F27-F104 HydrophobicContact CE1-CZ 4.5Å; F27-F104 HydrophobicContact CE2-CD2 4.48Å; F27-F104 AromaticContact CE2-CE2 3.21Å; F27-F104 HydrophobicContact CE2-CE2 3.21Å; F27-F104 AromaticContact CE2-CZ 3.23Å; F27-F104 HydrophobicContact CE2-CZ 3.23Å; F27-F104 AromaticContact CZ-CE2 3.97Å; F27-F104 HydrophobicContact CZ-CE2 3.97Å; F27-F104 AromaticContact CZ-CZ 3.47Å; F27-F104 HydrophobicContact CZ-CZ 3.47Å; F27-F104 VanDerWaalsContact CZ-CZ 3.47Å; N30-F104 WeakPolarHBondContact OD1-CB 3.38Å; A102-F104 HydrophobicContact CB-CD2 3.94Å; A102-F104 HydrophobicContact CB-CE2 4.03Å; A102-F104 PolarHBondContact O-N 3.11Å; A102-F104 VanDerWaalsContact O-N 3.16Å
105G36.4Very low41.9Very low41 Ų4179.3 Ų79.342%0.42345%0.445SS..  trans-69.7148.6149.700000109.6P103 E107P103-G105 PolarHBondContact O-N 3.04Å; G105-E107 VanDerWaalsContact C-N 3.32Å; G105-E107 PolarHBondContact O-N 3.24Å
106E35.1Very low42.5Very low201 Ų20179.1 Ų79.194%0.93944%0.443SS*.  trans-64.382.2-177.2-166.4174.4-143.200110.8
107E38.9Very low43Very low127 Ų12779.9 Ų79.959%0.59345%0.447SS*.  trans-119.6119.8175.6-145.5168.7-158.800110.6G105 I109G105-E107 VanDerWaalsContact C-N 3.32Å; G105-E107 PolarHBondContact O-N 3.24Å; E107-I109 PolarHBondContact O-N 2.9Å
108R35.8Very low43.4Very low238 Ų23879.1 Ų79.190%0.89845%0.447SS*.PPolyproline II helixtrans-57.9124-175-65.6173.6-175.5171.60.5108.9S110R108-S110 PolarHBondContact O-N 2.81Å; R108-S110 VanDerWaalsContact O-N 3.1Å
109I42.7Very low43.3Very low94 Ų9479.5 Ų79.548%0.48245%0.454SS..PPolyproline II helixtrans-47.5123148.6-61.2174.1000104.8L8 L28 E107L8-I109 HydrophobicContact CD1-CD1 4.39Å; L8-I109 HydrophobicContact CD1-CG2 3.82Å; L28-I109 HydrophobicContact CD2-CD1 4.4Å; E107-I109 PolarHBondContact O-N 2.9Å
110S38.6Very low43.2Very low57 Ų5781.8 Ų81.840%0.39945%0.454SS..PPolyproline II helixtrans-46149.4178.2176.60000109.8R108 D112R108-S110 PolarHBondContact O-N 2.81Å; R108-S110 VanDerWaalsContact O-N 3.1Å; S110-D112 CarbonylContact C-O 3.27Å; S110-D112 VanDerWaalsContact C-O 3.27Å; S110-D112 WeakPolarHBondContact CB-O 3.2Å; S110-D112 WeakPolarHBondContact CB-OD1 3.37Å; S110-D112 CarbonylContact O-C 3.45Å; S110-D112 PolarHBondContact O-N 3.1Å; S110-D112 VanDerWaalsContact O-N 3.1Å; S110-D112 PolarHBondContact OG-N 2.81Å; S110-D112 PolarHBondContact OG-OD1 3.1Å; S110-D112 PolarHBondContact OG-OD2 3.1Å
111A39.6Very low43.1Very low111 Ų11185 Ų8592%0.91748%0.476SS*.SBendtrans-58.3-22.2173.500000111.4
112D48.4Very low43.4Very low89 Ų8987.7 Ų87.748%0.47649%0.491SS..SBendtrans-76.412015765.365.8000109.2S110 S114S110-D112 CarbonylContact C-O 3.27Å; S110-D112 VanDerWaalsContact C-O 3.27Å; S110-D112 WeakPolarHBondContact CB-O 3.2Å; S110-D112 WeakPolarHBondContact CB-OD1 3.37Å; S110-D112 CarbonylContact O-C 3.45Å; S110-D112 PolarHBondContact O-N 3.1Å; S110-D112 VanDerWaalsContact O-N 3.1Å; S110-D112 PolarHBondContact OG-N 2.81Å; S110-D112 PolarHBondContact OG-OD1 3.1Å; S110-D112 PolarHBondContact OG-OD2 3.1Å; D112-S114 PolarHBondContact O-N 3.34Å; D112-S114 WeakPolarHBondContact OD1-CB 3.44Å; D112-S114 PolarHBondContact OD1-OG 3.46Å
113Q53.7Low43.3Very low133 Ų13387 Ų8762%0.62148%0.484SS*.  trans-72.661.4176-67.5179.5-23.100109.8E7 L8E7-Q113 CarbonylContact C-O 3.5Å; E7-Q113 VanDerWaalsContact CA-O 3.24Å; E7-Q113 WeakPolarHBondContact CA-O 3.35Å; L8-Q113 HydrophobicContact CB-CB 4.38Å; L8-Q113 HydrophobicContact CD1-CB 3.98Å; L8-Q113 HydrophobicContact CD1-CG 4.45Å; L8-Q113 HydrophobicContact CG-CB 4.15Å; L8-Q113 WeakPolarHBondContact CG-O 3.43Å; L8-Q113 PolarHBondContact N-O 3.24Å
114S44.5Very low43.1Very low32 Ų3285.7 Ų85.722%0.22448%0.475CS..EExtended strand (participates in β ladder)trans-122.5147.1-176.886.30000112.9F6 D112F6-S114 CarbonylContact O-C 3.59Å; F6-S114 WeakPolarHBondContact O-CA 2.99Å; D112-S114 PolarHBondContact O-N 3.34Å; D112-S114 WeakPolarHBondContact OD1-CB 3.44Å; D112-S114 PolarHBondContact OD1-OG 3.46Å
115C53.2Low43Very low29 Ų2988.7 Ų88.720%0.19650%0.501CS..EExtended strand (participates in β ladder)trans-132.9139.1175.9-171.90000110.9W5 F6 L8 W24W5-C115 WeakPolarHBondContact CA-O 3.2Å; F6-C115 PolarHBondContact N-O 3.31Å; F6-C115 PolarHBondContact O-N 3.11Å; L8-C115 HydrophobicContact CD2-CB 4.03Å; W24-C115 HydrophobicContact CH2-CB 4.34Å; W24-C115 WeakPolarHBondContact CH2-SG 3.43Å; W24-C115 HydrophobicContact CZ2-CB 4.2Å
116C49.9Very low42.8Very low32 Ų3290 Ų9022%0.21651%0.514CS..EExtended strand (participates in β ladder)trans-86.1118.6174.1178.10000110P3 W5P3-C116 VanDerWaalsContact CB-SG 3.58Å; W5-C116 HydrophobicContact CD2-CB 3.94Å; W5-C116 HydrophobicContact CE3-CB 3.8Å; W5-C116 HydrophobicContact CH2-CB 3.75Å; W5-C116 HydrophobicContact CZ2-CB 3.88Å; W5-C116 HydrophobicContact CZ3-CB 3.71Å
117I55.8Low42.7Very low24 Ų2482.8 Ų82.812%0.12349%0.486CS..EExtended strand (participates in β ladder)trans-116.8124.1-179.8-59175.9000109.8R4 F6 V11 M16R4-I117 PolarHBondContact O-N 2.83Å; R4-I117 VanDerWaalsContact O-N 3.16Å; F6-I117 HydrophobicContact CD2-CB 4.08Å; F6-I117 HydrophobicContact CD2-CD1 4.17Å; F6-I117 HydrophobicContact CD2-CG1 4.27Å; F6-I117 HydrophobicContact CE2-CB 4.14Å; V11-I117 HydrophobicContact CB-CD1 4.29Å; V11-I117 HydrophobicContact CG1-CD1 3.47Å; V11-I117 VanDerWaalsContact CG1-CD1 3.47Å; V11-I117 HydrophobicContact CG2-CD1 4.03Å; M16-I117 HydrophobicContact CE-CD1 4.1Å; M16-I117 HydrophobicContact CE-CG2 3.97Å; M16-I117 HydrophobicContact SD-CD1 3.95Å; M16-I117 HydrophobicContact SD-CG2 4.17Å
118C48.4Very low42.3Very low46 Ų4681 Ų8131%0.31149%0.492SS..  trans-92.5113.7164.8-76.20000108Y120 C124C118-Y120 PolarHBondContact O-N 2.82Å; C118-Y120 VanDerWaalsContact O-N 3.09Å; C118-C124 HydrophobicContact CB-CB 4.19Å; C118-C124 WeakPolarHBondContact CB-SG 3.37Å; C118-C124 WeakPolarHBondContact SG-CB 3.4Å; C118-C124 CovalentContact SG-SG 2.05Å; C118-C124 PolarHBondContact SG-SG 3.27Å
119A43.8Very low42.3Very low34 Ų3474.4 Ų74.428%0.28147%0.474SS..SBendtrans-61.5-19.3-177.900000114.4M1M1-A119 HydrophobicContact SD-CB 4.26Å
120Y38.8Very low41.6Very low131 Ų13177.8 Ų77.851%0.51449%0.488SS..  trans-145.5125.5176-74.9-86.3000111.5C118 S122 S123C118-Y120 PolarHBondContact O-N 2.82Å; C118-Y120 VanDerWaalsContact O-N 3.09Å; Y120-S122 PolarHBondContact O-N 3.27Å; Y120-S123 PolarHBondContact O-N 2.8Å; Y120-S123 PolarHBondContact O-OG 3.29Å
121P43.1Very low41.2Very low100 Ų10081.3 Ų81.365%0.64950%0.502SS*.G310 helixtrans-63.2-25.4-177.722-31.5000113.4S123P121-S123 PolarHBondContact O-N 3.06Å
122S43.4Very low40.8Very low112 Ų11281.9 Ų81.978%0.78348%0.484SS*.G310 helixtrans-74.3-4.6-179.950.90000115Y120Y120-S122 PolarHBondContact O-N 3.27Å
123S38.5Very low39.8Very low37 Ų3782.2 Ų82.226%0.25950%0.499SS..G310 helixtrans-121.86.9-171.275.10000115.5M1 Y120 P121M1-S123 PolarHBondContact N-O 2.82Å; Y120-S123 PolarHBondContact O-N 2.8Å; Y120-S123 PolarHBondContact O-OG 3.29Å; P121-S123 PolarHBondContact O-N 3.06Å
124C35.8Very low38.8Very low41 Ų4178 Ų7828%0.27748%0.481SS..  trans-104.482.4179.7-79.70000111.1C118 G126C118-C124 HydrophobicContact CB-CB 4.19Å; C118-C124 WeakPolarHBondContact CB-SG 3.37Å; C118-C124 WeakPolarHBondContact SG-CB 3.4Å; C118-C124 CovalentContact SG-SG 2.05Å; C118-C124 PolarHBondContact SG-SG 3.27Å; C124-G126 VanDerWaalsContact C-N 3.35Å
125T39Very low38.2Very low154 Ų15481 Ų8195%0.94549%0.494SS*.SBendtrans-89.79.6171.934.60000113.8
126G32.7Very low37.4Very low67 Ų6785 Ų8569%0.69151%0.505SS*.  trans-142.86.4-17000000117.5C124 A128C124-G126 VanDerWaalsContact C-N 3.35Å; G126-A128 VanDerWaalsContact C-N 3.32Å; G126-A128 PolarHBondContact O-N 3.15Å
127C32Very low36.7Very low51 Ų5188.3 Ų88.335%0.34553%0.529SS..  trans-80.583.7172.5-73.50000109.8I129C127-I129 HydrophobicContact CB-CG1 4.37Å; C127-I129 PolarHBondContact O-N 3.06Å
128A30.8Very low35.7Very low88 Ų8891.6 Ų91.673%0.72755%0.546SS*.  trans-6981.8158.200000108.2G126 E130G126-A128 VanDerWaalsContact C-N 3.32Å; G126-A128 PolarHBondContact O-N 3.15Å; A128-E130 PolarHBondContact O-N 2.58Å
129I36.1Very low35Very low101 Ų10192.3 Ų92.352%0.51856%0.555SS.*  trans-81.483160.3-54.8175.9000105.3C127 N131 F132C127-I129 HydrophobicContact CB-CG1 4.37Å; C127-I129 PolarHBondContact O-N 3.06Å; I129-N131 PolarHBondContact O-N 3.04Å; I129-N131 VanDerWaalsContact O-N 3.12Å; I129-F132 HydrophobicContact CB-CB 4.37Å; I129-F132 HydrophobicContact CG2-CB 3.89Å; I129-F132 HydrophobicContact CG2-CD2 4.32Å; I129-F132 HydrophobicContact CG2-CG 4.48Å; I129-F132 PolarHBondContact O-N 3.13Å
130E28.6Very low34.4Very low165 Ų16598.6 Ų98.677%0.77158%0.582SS**THydrogen-bonded Turntrans-58.3114.8163.3-65.9-173.2164.600106.6A128A128-E130 PolarHBondContact O-N 2.58Å
131N29Very low34Very low131 Ų13197.5 Ų97.570%0.70159%0.593SS**THydrogen-bonded Turntrans108.53177.5-53-41.1000118.9I129 A133I129-N131 PolarHBondContact O-N 3.04Å; I129-N131 VanDerWaalsContact O-N 3.12Å; N131-A133 VanDerWaalsContact C-N 3.29Å; N131-A133 PolarHBondContact O-N 3.02Å
132F30.6Very low33.5Very low122 Ų12299.7 Ų99.754%0.53561%0.605SS.*  trans-78.978.3168.2-135.5-113.4000111.5I129 I134I129-F132 HydrophobicContact CB-CB 4.37Å; I129-F132 HydrophobicContact CG2-CB 3.89Å; I129-F132 HydrophobicContact CG2-CD2 4.32Å; I129-F132 HydrophobicContact CG2-CG 4.48Å; I129-F132 PolarHBondContact O-N 3.13Å; F132-I134 VanDerWaalsContact C-N 3.35Å; F132-I134 HydrophobicContact CD1-CD1 3.56Å; F132-I134 HydrophobicContact CD1-CG1 3.6Å; F132-I134 HydrophobicContact CE1-CD1 3.3Å; F132-I134 HydrophobicContact CE1-CG1 3.56Å; F132-I134 HydrophobicContact CZ-CD1 4.47Å; F132-I134 PolarHBondContact O-N 2.79Å
133A27.8Very low33Very low97 Ų9797.3 Ų97.380%0.80259%0.588SS**  trans-83.878.7168.200000109.4N131 D135N131-A133 VanDerWaalsContact C-N 3.29Å; N131-A133 PolarHBondContact O-N 3.02Å; A133-D135 PolarHBondContact O-N 2.86Å
134I32.8Very low32.7Very low45 Ų4598.2 Ų98.223%0.23160%0.603CS.*  trans-70.5117.2158.3-65.5170000106.2F132 W136F132-I134 VanDerWaalsContact C-N 3.35Å; F132-I134 HydrophobicContact CD1-CD1 3.56Å; F132-I134 HydrophobicContact CD1-CG1 3.6Å; F132-I134 HydrophobicContact CE1-CD1 3.3Å; F132-I134 HydrophobicContact CE1-CG1 3.56Å; F132-I134 HydrophobicContact CZ-CD1 4.47Å; F132-I134 PolarHBondContact O-N 2.79Å; I134-W136 HydrophobicContact CB-CD2 4.11Å; I134-W136 HydrophobicContact CB-CG 4.42Å; I134-W136 HydrophobicContact CB-CZ2 3.83Å; I134-W136 HydrophobicContact CD1-CH2 3.7Å; I134-W136 HydrophobicContact CD1-CZ2 3.33Å; I134-W136 HydrophobicContact CG1-CZ2 4.16Å; I134-W136 HydrophobicContact CG2-CD2 3.53Å; I134-W136 VanDerWaalsContact CG2-CE2 3.48Å; I134-W136 HydrophobicContact CG2-CE3 3.9Å; I134-W136 HydrophobicContact CG2-CG 3.95Å; I134-W136 HydrophobicContact CG2-CH2 4.18Å; I134-W136 HydrophobicContact CG2-CZ2 3.84Å; I134-W136 HydrophobicContact CG2-CZ3 4.21Å; I134-W136 PolarHBondContact O-N 2.75Å; I134-W136 PolarHBondContact O-NE1 2.58Å
135D31.3Very low32.7Very low94 Ų94102 Ų10250%0.50363%0.625SS.*  trans-7097.1164.7-178.25.1000108.6P103 A133 S137P103-D135 HydrophobicContact CG-CB 4.18Å; P103-D135 WeakPolarHBondContact CG-O 3.44Å; A133-D135 PolarHBondContact O-N 2.86Å; D135-S137 PolarHBondContact O-N 2.96Å; D135-S137 WeakPolarHBondContact OD1-CB 3.06Å; D135-S137 PolarHBondContact OD1-N 2.85Å; D135-S137 PolarHBondContact OD1-OG 3.42Å
136W37.2Very low32.5Very low114 Ų11497.7 Ų97.743%0.43261%0.605SS.*G310 helixtrans-77.11.6-177-65.6101.5000114A84 I134 L138A84-W136 WeakPolarHBondContact O-CH2 3.42Å; A84-W136 WeakPolarHBondContact O-CZ3 3.08Å; I134-W136 HydrophobicContact CB-CD2 4.11Å; I134-W136 HydrophobicContact CB-CG 4.42Å; I134-W136 HydrophobicContact CB-CZ2 3.83Å; I134-W136 HydrophobicContact CD1-CH2 3.7Å; I134-W136 HydrophobicContact CD1-CZ2 3.33Å; I134-W136 HydrophobicContact CG1-CZ2 4.16Å; I134-W136 HydrophobicContact CG2-CD2 3.53Å; I134-W136 VanDerWaalsContact CG2-CE2 3.48Å; I134-W136 HydrophobicContact CG2-CE3 3.9Å; I134-W136 HydrophobicContact CG2-CG 3.95Å; I134-W136 HydrophobicContact CG2-CH2 4.18Å; I134-W136 HydrophobicContact CG2-CZ2 3.84Å; I134-W136 HydrophobicContact CG2-CZ3 4.21Å; I134-W136 PolarHBondContact O-N 2.75Å; I134-W136 PolarHBondContact O-NE1 2.58Å; W136-L138 PolarHBondContact O-N 3.03Å; W136-L138 VanDerWaalsContact O-N 3.17Å
137S34.4Very low32.8Very low101 Ų10198 Ų9871%0.70659%0.59SS**G310 helixtrans-70.4-13.8-169.2-47.10000114.5D135D135-S137 PolarHBondContact O-N 2.96Å; D135-S137 WeakPolarHBondContact OD1-CB 3.06Å; D135-S137 PolarHBondContact OD1-N 2.85Å; D135-S137 PolarHBondContact OD1-OG 3.42Å
138L35.3Very low33Very low93 Ų93100.6 Ų100.649%0.48760%0.598SS.*G310 helixtrans-106.2-6.8-169.2-130.585000116V57 I59 W136V57-L138 HydrophobicContact CG1-CD2 3.97Å; I59-L138 HydrophobicContact CD1-CD1 3.74Å; I59-L138 HydrophobicContact CD1-CD2 3.77Å; I59-L138 HydrophobicContact CD1-CG 4.3Å; I59-L138 HydrophobicContact CG1-CD2 4.11Å; W136-L138 PolarHBondContact O-N 3.03Å; W136-L138 VanDerWaalsContact O-N 3.17Å
139A33.5Very low33.3Very low60 Ų60106.3 Ų106.350%0.49660%0.601SS.*SBendtrans-89.8-3.1-170.900000115.4
140I32Very low33.4Very low167 Ų167107.1 Ų107.186%0.85661%0.605SS**SBendtrans-126.853.9-176.5-43.7179.3000111.7
141S31Very low33.9Very low107 Ų107101.7 Ų101.775%0.74859%0.589SS**SBendtrans-119.92.1174.4-168.80000115.5
142V31.1Very low34.4Very low147 Ų147104 Ų10489%0.89159%0.588SS**SBendtrans-135.971.4-178.1-167.20000111
143S34Very low34.7Very low62 Ų62102 Ų10243%0.43459%0.589SS.*SBendtrans-170.9-8158.2-170.40000114.3T145 L147S143-T145 PolarHBondContact O-N 2.99Å; S143-L147 WeakPolarHBondContact O-CB 3.05Å; S143-L147 PolarHBondContact O-N 2.85Å; S143-L147 WeakPolarHBondContact OG-CD1 3.42Å
144G31.9Very low35.5Very low55 Ų55103.1 Ų103.157%0.56759%0.586SS**Hα-helixtrans-66.2-33.4-178.200000114.4
145T36.5Very low35.6Very low120 Ų120109.5 Ų109.574%0.73661%0.608SS**Hα-helixtrans-103.1-19.1-171.149.20000114.8S143S143-T145 PolarHBondContact O-N 2.99Å
146A34.9Very low35.7Very low65 Ų65115.7 Ų115.754%0.53762%0.624SS.*Hα-helixtrans-88.6-29.617400000112.4
147L37.9Very low35.7Very low72 Ų72118 Ų11838%0.37764%0.638SS.*Hα-helixtrans-86.9-26.1-175.5-135.9144.4000112.3L90 S143 R149 L150 A151L90-L147 HydrophobicContact CD2-CD1 4.03Å; L90-L147 HydrophobicContact CD2-CD2 4.31Å; S143-L147 WeakPolarHBondContact O-CB 3.05Å; S143-L147 PolarHBondContact O-N 2.85Å; S143-L147 WeakPolarHBondContact OG-CD1 3.42Å; L147-R149 VanDerWaalsContact C-N 3.28Å; L147-R149 PolarHBondContact O-N 3.03Å; L147-L150 PolarHBondContact O-N 2.97Å; L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 3.19Å
148E36.8Very low35.8Very low106 Ų106124.5 Ų124.550%0.49566%0.664SS.*Hα-helixtrans-64.7-28.9166.9-86.7-158.5117.600113.4R152E148-R152 WeakPolarHBondContact O-CB 3.39Å; E148-R152 WeakPolarHBondContact O-CD 3.5Å; E148-R152 WeakPolarHBondContact O-CG 3.15Å; E148-R152 PolarHBondContact O-N 2.85Å; E148-R152 IonicContact OE1-CZ 2.8Å; E148-R152 IonicContact OE1-NE 3.53Å; E148-R152 IonicContact OE1-NH2 3.97Å; E148-R152 PolarHBondContact OE1-NH2 3.33Å
149R36.2Very low35.8Very low209 Ų209126.1 Ų126.179%0.78967%0.673SS**Hα-helixtrans-79-33178.5-78.3-178.2172.9177.1-2112.8L147L147-R149 VanDerWaalsContact C-N 3.28Å; L147-R149 PolarHBondContact O-N 3.03Å
150L39.5Very low35.9Very low117 Ų117129.5 Ų129.561%0.61368%0.682SS**Hα-helixtrans-82.4-36.1175.8-76.9163.5000112.5L147 R152 S153 T154L147-L150 PolarHBondContact O-N 2.97Å; L150-R152 VanDerWaalsContact C-N 3.33Å; L150-R152 PolarHBondContact O-N 2.89Å; L150-S153 PolarHBondContact O-N 3.33Å; L150-S153 PolarHBondContact O-OG 3.09Å; L150-S153 VanDerWaalsContact O-OG 3.11Å; L150-T154 PolarHBondContact O-N 2.91Å; L150-T154 PolarHBondContact O-OG1 2.74Å; L150-T154 VanDerWaalsContact O-OG1 3.1Å
151A37.5Very low36.1Very low52 Ų52127.4 Ų127.443%0.4367%0.673SS.*Hα-helixtrans-69.2-28.5175.900000113.1L147L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 3.19Å
152R41.1Very low36.5Very low180 Ų180128.6 Ų128.668%0.67967%0.668SS**Hα-helixtrans-78.5-19.2173-71.6174.2-160.5-1103.7113.5E148 L150E148-R152 WeakPolarHBondContact O-CB 3.39Å; E148-R152 WeakPolarHBondContact O-CD 3.5Å; E148-R152 WeakPolarHBondContact O-CG 3.15Å; E148-R152 PolarHBondContact O-N 2.85Å; E148-R152 IonicContact OE1-CZ 2.8Å; E148-R152 IonicContact OE1-NE 3.53Å; E148-R152 IonicContact OE1-NH2 3.97Å; E148-R152 PolarHBondContact OE1-NH2 3.33Å; L150-R152 VanDerWaalsContact C-N 3.33Å; L150-R152 PolarHBondContact O-N 2.89Å
153S37Very low36.8Very low80 Ų80127.5 Ų127.556%0.55965%0.654SS**Hα-helixtrans-89.9-22.5-179.975.40000113.8L150L150-S153 PolarHBondContact O-N 3.33Å; L150-S153 PolarHBondContact O-OG 3.09Å; L150-S153 VanDerWaalsContact O-OG 3.11Å
154T42.7Very low37Very low119 Ų119131.9 Ų131.973%0.7367%0.669SS**Hα-helixtrans-100.1-12.7179.548.20000114.2L150L150-T154 PolarHBondContact O-N 2.91Å; L150-T154 PolarHBondContact O-OG1 2.74Å; L150-T154 VanDerWaalsContact O-OG1 3.1Å
155Y36.4Very low37.3Very low180 Ų180137.4 Ų137.471%0.70668%0.676SS**  trans-11154.8174.9-149.5-94.7000111.1K157Y155-K157 HydrophobicContact CE1-CG 4.29Å
156R33.4Very low37.4Very low223 Ų223138.7 Ų138.784%0.84267%0.672SS**  trans-94.4100.9161.2-152.1177.4-159.7175.63.6106.1D158R156-D158 PolarHBondContact O-N 3.19Å
157K35.8Very low37.6Very low164 Ų164144.8 Ų144.871%0.71368%0.683SS**  trans-57.3118.3170.5-77.9178.8171.4-1800108.9Y155Y155-K157 HydrophobicContact CE1-CG 4.29Å
158D37.2Very low37.6Very low236 Ų236151.5 Ų151.5100%1.26271%0.711SS**  trans-114.10138.5-71.3-40.3000106.8R156R156-D158 PolarHBondContact O-N 3.19Å

Retrieved 158 of 158 residues in 152.8 ms (Link to these results)

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