A0A087WZQ4_HUMAN Loading...

CD22 molecule

AlphaFold DB , UniProt , Accession A0A087WZQ4, Species HUMAN (Homo sapiens, Human), Gene CD22, Length 153 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
1H94.8Very high96.2Very high126 Ų12667.2 Ų67.258%0.58336%0.362SS*.  0133.50178.652.3000110.3C18 L19 D89H1-C18 WeakPolarHBondContact O-CA 3.3Å; H1-L19 PolarHBondContact N-O 3.38Å; H1-L19 PolarHBondContact O-N 3Å; H1-D89 VanDerWaalsContact C-OD2 3.23Å; H1-D89 WeakPolarHBondContact CA-OD2 2.94Å; H1-D89 IonicContact CG-OD2 3.97Å; H1-D89 IonicContact ND1-OD2 3.36Å; H1-D89 PolarHBondContact ND1-OD2 2.86Å
2I98.2Very high96.2Very high3 Ų370.1 Ų70.12%0.01537%0.371CS..EExtended strand (participates in β ladder)trans-92.9126.2174.8-58.8167.8000110.6L4 T17 W33 C76 D89 V91I2-L4 HydrophobicContact CG2-CD2 4.05Å; I2-T17 CarbonylContact C-O 3.6Å; I2-T17 WeakPolarHBondContact CA-O 3.32Å; I2-W33 HydrophobicContact CD1-CZ3 4.21Å; I2-W33 HydrophobicContact CG1-CH2 4.36Å; I2-W33 HydrophobicContact CG1-CZ3 4.19Å; I2-W33 HydrophobicContact CG2-CH2 4.03Å; I2-W33 HydrophobicContact CG2-CZ3 4.02Å; I2-C76 HydrophobicContact CD1-CB 3.8Å; I2-C76 HydrophobicContact CG1-CB 3.7Å; I2-D89 HydrophobicContact CD1-CB 4.33Å; I2-D89 WeakPolarHBondContact CD1-O 3.15Å; I2-D89 HydrophobicContact CG1-CB 4.23Å; I2-D89 PolarHBondContact N-OD2 2.03Å; I2-V91 HydrophobicContact CB-CG1 3.88Å; I2-V91 HydrophobicContact CB-CG2 4.07Å; I2-V91 HydrophobicContact CD1-CG1 4.4Å; I2-V91 HydrophobicContact CD1-CG2 3.97Å; I2-V91 HydrophobicContact CG2-CG1 4.19Å; I2-V91 HydrophobicContact CG2-CG2 3.57Å
3Q97.9Very high96.3Very high91 Ų9173 Ų7343%0.42538%0.382SS..EExtended strand (participates in β ladder)trans-104.3122.5172.6-61.3170.9-1.400108.9T17Q3-T17 PolarHBondContact N-O 3.23Å; Q3-T17 PolarHBondContact O-N 2.97Å
4L97.1Very high96.4Very high57 Ų5768.7 Ų68.730%0.29836%0.36SS..  trans-96.5149.1172.3-61-174.7000109.6I2 I8 L16 V91 L93I2-L4 HydrophobicContact CG2-CD2 4.05Å; L4-I8 HydrophobicContact CB-CD1 4.38Å; L4-I8 HydrophobicContact CD1-CD1 4.41Å; L4-I8 HydrophobicContact CD2-CD1 4.47Å; L4-L16 HydrophobicContact CD2-CD2 3.37Å; L4-V91 HydrophobicContact CD1-CB 4.19Å; L4-V91 HydrophobicContact CD1-CG2 3.95Å; L4-V91 HydrophobicContact CD2-CG2 3.8Å; L4-V91 HydrophobicContact CG-CG2 4.01Å; L4-L93 HydrophobicContact CD2-CD2 4.3Å
5P96.9Very high96.6Very high35 Ų3567.7 Ų67.723%0.22736%0.358CS..  trans-56.1151.2163.2-18.629.2000110.8E7 I8 V14P5-E7 PolarHBondContact O-N 3.42Å; P5-I8 HydrophobicContact CB-CG1 4.49Å; P5-I8 HydrophobicContact CG-CG1 4.48Å; P5-V14 HydrophobicContact CG-CB 3.96Å; P5-V14 HydrophobicContact CG-CG1 4.13Å
6P94.8Very high96.7Very high148 Ų14863.4 Ų63.496%0.96134%0.335SS*.SBendtrans-62.1-29.5-17825.1-34.3000112.8
7E95.4Very high96.8Very high109 Ų10960.9 Ų60.951%0.50932%0.323SS..  trans-134.3136175.1-170174.5-17900109.8P5 Q9P5-E7 PolarHBondContact O-N 3.42Å; E7-Q9 HydrophobicContact CG-CG 4.22Å; E7-Q9 PolarHBondContact OE1-NE2 3.04Å
8I96.9Very high96.9Very high5 Ų557.8 Ų57.83%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-125112.7176.4-58.9178.1000106.6L4 P5 V14 P65 L93 V95 K96L4-I8 HydrophobicContact CB-CD1 4.38Å; L4-I8 HydrophobicContact CD1-CD1 4.41Å; L4-I8 HydrophobicContact CD2-CD1 4.47Å; P5-I8 HydrophobicContact CB-CG1 4.49Å; P5-I8 HydrophobicContact CG-CG1 4.48Å; I8-V14 HydrophobicContact CG2-CG2 4.19Å; I8-P65 HydrophobicContact CG2-CB 4.17Å; I8-P65 HydrophobicContact CG2-CG 3.26Å; I8-L93 HydrophobicContact CD1-CD2 4.12Å; I8-V95 HydrophobicContact CG2-CG1 4.45Å; I8-V95 HydrophobicContact CG2-CG2 4.14Å; I8-V95 CarbonylContact O-C 3.54Å; I8-V95 WeakPolarHBondContact O-CA 3.29Å; I8-K96 PolarHBondContact O-N 3.1Å
9Q95.9Very high97Very high58 Ų5856.9 Ų56.927%0.27130%0.302SS..EExtended strand (participates in β ladder)trans-100.4151.8173-57.8-160-8.100110.3E7 Q12 K96E7-Q9 HydrophobicContact CG-CG 4.22Å; E7-Q9 PolarHBondContact OE1-NE2 3.04Å; Q9-Q12 HydrophobicContact CB-CB 4.35Å; Q9-K96 WeakPolarHBondContact CA-O 3.35Å; Q9-K96 HydrophobicContact CG-CB 4.32Å
10E96.1Very high97Very high37 Ų3756.2 Ų56.217%0.17330%0.298CS..THydrogen-bonded Turntrans-60.9149.4173.174.4-177.7152.100111.3Q12 P65 W67 V95 K96 R97 E98E10-Q12 PolarHBondContact O-N 3.21Å; E10-P65 CarbonylContact C-O 3.59Å; E10-W67 VanDerWaalsContact OE2-CB 3.22Å; E10-W67 WeakPolarHBondContact OE2-CB 3.37Å; E10-W67 PolarHBondContact OE2-N 3.16Å; E10-V95 HydrophobicContact CB-CG1 4.06Å; E10-K96 PolarHBondContact N-O 2.87Å; E10-R97 VanDerWaalsContact OE1-CG 3.25Å; E10-R97 WeakPolarHBondContact OE1-CG 3.44Å; E10-E98 HydrophobicContact CG-CB 3.99Å; E10-E98 PolarHBondContact OE1-N 3.29Å
11S94.4Very high97Very high70 Ų7059.9 Ų59.949%0.4932%0.318SS..THydrogen-bonded Turntrans61.3-5.4179.5-55.20000116.1P65 Q66S11-P65 PolarHBondContact N-O 3.36Å; S11-Q66 PolarHBondContact OG-NE2 2.82Å
12Q95.9Very high97.1Very high102 Ų10257.6 Ų57.648%0.47731%0.307SS..SBendtrans-86.4126.3173.6-172.51777.100110.8Q9 E10 V14 P65Q9-Q12 HydrophobicContact CB-CB 4.35Å; E10-Q12 PolarHBondContact O-N 3.21Å; Q12-V14 PolarHBondContact O-N 3.29Å; Q12-P65 VanDerWaalsContact O-CD 3.23Å; Q12-P65 WeakPolarHBondContact O-CD 3.42Å
13E97.7Very high97Very high108 Ų10858.4 Ų58.451%0.50531%0.312SS..  trans-63.8129.1172.7-177.217697.200110K62E13-K62 HydrophobicContact CG-CB 4.32Å; E13-K62 WeakPolarHBondContact OE1-CD 3.23Å; E13-K62 IonicContact OE1-NZ 2.84Å; E13-K62 PolarHBondContact OE1-NZ 2.98Å
14V97.8Very high96.9Very high13 Ų1356.8 Ų56.88%0.07931%0.31CS..EExtended strand (participates in β ladder)trans-129.8157.7175.6-76.10000110P5 I8 Q12 K62 F63 P65P5-V14 HydrophobicContact CG-CB 3.96Å; P5-V14 HydrophobicContact CG-CG1 4.13Å; I8-V14 HydrophobicContact CG2-CG2 4.19Å; Q12-V14 PolarHBondContact O-N 3.29Å; V14-K62 WeakPolarHBondContact O-CA 3.41Å; V14-F63 HydrophobicContact CB-CE1 4.29Å; V14-F63 HydrophobicContact CG2-CD1 3.65Å; V14-F63 HydrophobicContact CG2-CE1 3.13Å; V14-F63 HydrophobicContact CG2-CE2 4.44Å; V14-F63 HydrophobicContact CG2-CG 4.45Å; V14-F63 HydrophobicContact CG2-CZ 3.62Å; V14-F63 VanDerWaalsContact CG2-O 3.31Å; V14-F63 WeakPolarHBondContact CG2-O 3.49Å; V14-F63 PolarHBondContact N-O 2.82Å; V14-F63 PolarHBondContact O-N 3.43Å; V14-P65 HydrophobicContact CG2-CG 3.93Å
15T98.5Very high96.8Very high53 Ų5363.8 Ų63.833%0.32533%0.334SS..EExtended strand (participates in β ladder)trans-108.3123.9176.2-57.10000109.6E60 L61T15-E60 HydrophobicContact CG2-CB 4.04Å; T15-E60 HydrophobicContact CG2-CG 4.43Å; T15-L61 WeakPolarHBondContact CA-O 3.41Å
16L98.4Very high96.7Very high0 Ų065.5 Ų65.50%036%0.358CS..EExtended strand (participates in β ladder)trans-91.5138.2168.5-56-175.2000109.3L4 W33 E60 L61 F63 V74L4-L16 HydrophobicContact CD2-CD2 3.37Å; L16-W33 HydrophobicContact CB-CH2 3.56Å; L16-W33 HydrophobicContact CB-CZ2 4.04Å; L16-W33 HydrophobicContact CB-CZ3 3.91Å; L16-W33 HydrophobicContact CD1-CE3 4.35Å; L16-W33 HydrophobicContact CD1-CZ3 4.07Å; L16-E60 CarbonylContact O-C 3.58Å; L16-E60 VanDerWaalsContact O-CA 3.29Å; L16-E60 WeakPolarHBondContact O-CA 3.43Å; L16-L61 HydrophobicContact CB-CB 4.44Å; L16-L61 PolarHBondContact N-O 2.86Å; L16-L61 PolarHBondContact O-N 3.19Å; L16-F63 HydrophobicContact CD1-CD1 3.74Å; L16-F63 HydrophobicContact CD1-CE1 3.5Å; L16-F63 HydrophobicContact CD1-CG 4.5Å; L16-F63 HydrophobicContact CD1-CZ 4.04Å; L16-F63 HydrophobicContact CD2-CD1 4.07Å; L16-F63 HydrophobicContact CD2-CE1 3.24Å; L16-F63 HydrophobicContact CD2-CZ 3.92Å; L16-F63 HydrophobicContact CG-CD1 3.51Å; L16-F63 HydrophobicContact CG-CE1 3.2Å; L16-F63 HydrophobicContact CG-CZ 4.13Å; L16-V74 HydrophobicContact CD1-CG1 3.99Å; L16-V74 HydrophobicContact CD1-CG2 4.37Å
17T98.7Very high96.8Very high21 Ų2163.5 Ų63.513%0.12933%0.332CS..EExtended strand (participates in β ladder)trans-121.9125.4179.3-56.60000109.8I2 Q3 R58 S59 E60I2-T17 CarbonylContact C-O 3.6Å; I2-T17 WeakPolarHBondContact CA-O 3.32Å; Q3-T17 PolarHBondContact N-O 3.23Å; Q3-T17 PolarHBondContact O-N 2.97Å; T17-R58 HydrophobicContact CG2-CG 3.68Å; T17-S59 CarbonylContact C-O 3.57Å; T17-S59 WeakPolarHBondContact CA-O 3.42Å; T17-E60 HydrophobicContact CG2-CG 4.18Å
18C98.6Very high96.8Very high5 Ų562.1 Ų62.13%0.03433%0.333CS..EExtended strand (participates in β ladder)trans-109117.8169.9-178.10000108.8H1 W33 R58 S59 C76H1-C18 WeakPolarHBondContact O-CA 3.3Å; C18-W33 HydrophobicContact CB-CH2 3.63Å; C18-W33 HydrophobicContact CB-CZ2 3.41Å; C18-W33 VanDerWaalsContact CB-CZ2 3.41Å; C18-R58 CarbonylContact O-C 3.58Å; C18-R58 VanDerWaalsContact O-CA 3.29Å; C18-R58 WeakPolarHBondContact O-CA 3.45Å; C18-S59 PolarHBondContact N-O 2.71Å; C18-S59 PolarHBondContact O-N 2.95Å; C18-C76 HydrophobicContact CB-CB 3.67Å; C18-C76 WeakPolarHBondContact CB-SG 3.4Å; C18-C76 WeakPolarHBondContact SG-CB 3.33Å; C18-C76 CovalentContact SG-SG 2.03Å; C18-C76 PolarHBondContact SG-SG 2.85Å
19L98.3Very high96.8Very high40 Ų4063.4 Ų63.421%0.20934%0.339CS..EExtended strand (participates in β ladder)trans-111.3127.6-179.9-172.968.5000110.6H1 F56 R58H1-L19 PolarHBondContact N-O 3.38Å; H1-L19 PolarHBondContact O-N 3Å; L19-F56 HydrophobicContact CD1-CB 4Å; L19-F56 HydrophobicContact CD1-CD2 3.92Å; L19-F56 HydrophobicContact CD1-CG 4.1Å; L19-R58 HydrophobicContact CD1-CB 4.01Å; L19-R58 HydrophobicContact CD1-CG 4.31Å
20L98.1Very high96.9Very high43 Ų4365.2 Ų65.223%0.22535%0.348CS..EExtended strand (participates in β ladder)trans-121.9125.9173.7179.769.2000108.8F22 I29 L31 F56 T57 L78L20-F22 HydrophobicContact CD2-CB 3.97Å; L20-F22 HydrophobicContact CD2-CD1 4.41Å; L20-F22 HydrophobicContact CG-CB 3.88Å; L20-F22 PolarHBondContact O-N 3.41Å; L20-I29 HydrophobicContact CD2-CD1 4Å; L20-L31 HydrophobicContact CD2-CD2 4.47Å; L20-F56 CarbonylContact O-C 3.5Å; L20-F56 VanDerWaalsContact O-CA 3.23Å; L20-F56 WeakPolarHBondContact O-CA 3.43Å; L20-F56 WeakPolarHBondContact O-CB 3.01Å; L20-T57 PolarHBondContact N-O 2.86Å; L20-T57 PolarHBondContact O-N 2.78Å; L20-L78 HydrophobicContact CD2-CD1 3.82Å; L20-L78 HydrophobicContact CD2-CD2 4.11Å
21N97.1Very high97Very high134 Ų13464.3 Ų64.372%0.71734%0.344SS*.SBendtrans-82.355.1177.9-64.9-24.3000111.1
22F96.3Very high97.2Very high78 Ų7864.2 Ų64.234%0.34234%0.336SS..  trans-150.9139.4-179.7177.4-94.8000110.4L20 C24 Y27 I29 F56 T57L20-F22 HydrophobicContact CD2-CB 3.97Å; L20-F22 HydrophobicContact CD2-CD1 4.41Å; L20-F22 HydrophobicContact CG-CB 3.88Å; L20-F22 PolarHBondContact O-N 3.41Å; F22-C24 HydrophobicContact CE1-CB 4.22Å; F22-C24 HydrophobicContact CE2-CB 4.26Å; F22-C24 HydrophobicContact CZ-CB 3.7Å; F22-Y27 HydrophobicContact CE1-CD1 4.13Å; F22-Y27 HydrophobicContact CZ-CD1 4.08Å; F22-I29 HydrophobicContact CD1-CG1 4.43Å; F22-I29 HydrophobicContact CE1-CG2 4.17Å; F22-F56 CarbonylContact O-C 3.51Å; F22-T57 WeakPolarHBondContact O-CB 3.33Å; F22-T57 PolarHBondContact O-N 3.32Å; F22-T57 PolarHBondContact O-OG1 3.25Å
23S96.5Very high97.3Very high20 Ų2059.8 Ų59.814%0.1432%0.315CS..  trans-160.4135.2166.5-179.50000108.4L50S23-L50 WeakPolarHBondContact O-CD1 3.26Å
24C95.9Very high97.4Very high56 Ų5655.3 Ų55.338%0.37829%0.294SS..  trans-151.3125.5179.8-177.60000110.2F22 G26 Y27F22-C24 HydrophobicContact CE1-CB 4.22Å; F22-C24 HydrophobicContact CE2-CB 4.26Å; F22-C24 HydrophobicContact CZ-CB 3.7Å; C24-G26 VanDerWaalsContact C-N 3.26Å; C24-G26 PolarHBondContact O-N 3.26Å; C24-Y27 CarbonylContact O-C 3.6Å; C24-Y27 PolarHBondContact O-N 3.31Å; C24-Y27 VanDerWaalsContact O-N 3.11Å
25Y93.8Very high97.4Very high205 Ų20556.2 Ų56.280%0.80430%0.299SS*.THydrogen-bonded Turntrans-61-33.7179.2-68.1-58.6000113.3Y27 L50Y25-Y27 VanDerWaalsContact C-N 3.29Å; Y25-Y27 PolarHBondContact O-N 3.45Å; Y25-L50 HydrophobicContact CD1-CD2 4.43Å; Y25-L50 HydrophobicContact CD2-CD2 3.6Å; Y25-L50 HydrophobicContact CE1-CD2 4.29Å; Y25-L50 HydrophobicContact CE2-CD2 3.44Å; Y25-L50 VanDerWaalsContact CE2-CD2 3.44Å; Y25-L50 HydrophobicContact CE2-CG 4.33Å; Y25-L50 HydrophobicContact CG-CD2 4.1Å
26G96.3Very high97.3Very high71 Ų7158.6 Ų58.673%0.73231%0.306SS*.THydrogen-bonded Turntrans-81.6-4.4178.900000114.5C24C24-G26 VanDerWaalsContact C-N 3.26Å; C24-G26 PolarHBondContact O-N 3.26Å
27Y95.9Very high97.3Very high106 Ų10661.1 Ų61.142%0.41633%0.332SS..SBendtrans-140.876.1-179.9-162.6-98.5000110.3F22 C24 Y25 I29 L86F22-Y27 HydrophobicContact CE1-CD1 4.13Å; F22-Y27 HydrophobicContact CZ-CD1 4.08Å; C24-Y27 CarbonylContact O-C 3.6Å; C24-Y27 PolarHBondContact O-N 3.31Å; C24-Y27 VanDerWaalsContact O-N 3.11Å; Y25-Y27 VanDerWaalsContact C-N 3.29Å; Y25-Y27 PolarHBondContact O-N 3.45Å; Y27-I29 HydrophobicContact CD1-CG2 3.72Å; Y27-I29 HydrophobicContact CE1-CG2 3.78Å; Y27-L86 HydrophobicContact CE1-CD1 3.97Å
28P95.6Very high97.3Very high80 Ų8064.7 Ų64.752%0.51935%0.354SS..  trans-62.7141.4176.318.8-24.4000111.4A81P28-A81 HydrophobicContact CB-CB 4.26Å; P28-A81 HydrophobicContact CG-CB 3.9Å; P28-A81 PolarHBondContact O-N 3.12Å
29I97.6Very high97.2Very high31 Ų3167.9 Ų67.916%0.15937%0.374CS..EExtended strand (participates in β ladder)trans-135.1158.7-176.956.9103.3000110.7L20 F22 Y27 L31 T57 L78 Q79 L86L20-I29 HydrophobicContact CD2-CD1 4Å; F22-I29 HydrophobicContact CD1-CG1 4.43Å; F22-I29 HydrophobicContact CE1-CG2 4.17Å; Y27-I29 HydrophobicContact CD1-CG2 3.72Å; Y27-I29 HydrophobicContact CE1-CG2 3.78Å; I29-L31 HydrophobicContact CD1-CD2 4.47Å; I29-L31 HydrophobicContact CD1-CG 4.43Å; I29-T57 HydrophobicContact CD1-CG2 3.87Å; I29-L78 HydrophobicContact CB-CD1 3.77Å; I29-L78 HydrophobicContact CD1-CD1 3.7Å; I29-L78 HydrophobicContact CG1-CD1 4.19Å; I29-L78 HydrophobicContact CG2-CD1 4.14Å; I29-Q79 CarbonylContact C-O 3.56Å; I29-Q79 VanDerWaalsContact CA-O 3.29Å; I29-Q79 WeakPolarHBondContact CA-O 3.4Å; I29-Q79 WeakPolarHBondContact CB-O 2.97Å; I29-L86 HydrophobicContact CG2-CD1 4.4Å
30Q97.3Very high97.2Very high97 Ų9767.4 Ų67.445%0.45337%0.371SS..EExtended strand (participates in β ladder)trans-124.7143.1176.3-52.3-174.639.600110.2Q79 A81Q30-Q79 HydrophobicContact CB-CB 4.34Å; Q30-Q79 PolarHBondContact N-O 2.85Å; Q30-Q79 PolarHBondContact O-N 3.45Å; Q30-A81 PolarHBondContact NE2-O 3.15Å; Q30-A81 VanDerWaalsContact NE2-O 3.07Å
31L98.3Very high97.1Very high18 Ų1877.2 Ų77.29%0.09441%0.405CS..EExtended strand (participates in β ladder)trans-109.8114.2171.9-64.5-179.4000108.6L20 I29 T57 Q77 L78L20-L31 HydrophobicContact CD2-CD2 4.47Å; I29-L31 HydrophobicContact CD1-CD2 4.47Å; I29-L31 HydrophobicContact CD1-CG 4.43Å; L31-T57 HydrophobicContact CD1-CG2 3.89Å; L31-T57 HydrophobicContact CG-CG2 4.38Å; L31-Q77 CarbonylContact C-O 3.56Å; L31-Q77 WeakPolarHBondContact CA-O 3.29Å; L31-L78 HydrophobicContact CD2-CB 4.41Å; L31-L78 HydrophobicContact CD2-CD1 3.89Å
32Q98.2Very high97Very high67 Ų6774.9 Ų74.931%0.31339%0.39SS..EExtended strand (participates in β ladder)trans-107.9132.6-179.9-174.8170.552.200111.1L34 Q77Q32-L34 HydrophobicContact CG-CD1 4.46Å; Q32-Q77 PolarHBondContact N-O 3.22Å; Q32-Q77 PolarHBondContact O-N 3.11Å
33W98.7Very high97Very high9 Ų975.6 Ų75.63%0.03441%0.41CS..EExtended strand (participates in β ladder)trans-91.5131.4174.6-68.894.4000111.4I2 L16 C18 M40 S59 L61 V74 T75 C76I2-W33 HydrophobicContact CD1-CZ3 4.21Å; I2-W33 HydrophobicContact CG1-CH2 4.36Å; I2-W33 HydrophobicContact CG1-CZ3 4.19Å; I2-W33 HydrophobicContact CG2-CH2 4.03Å; I2-W33 HydrophobicContact CG2-CZ3 4.02Å; L16-W33 HydrophobicContact CB-CH2 3.56Å; L16-W33 HydrophobicContact CB-CZ2 4.04Å; L16-W33 HydrophobicContact CB-CZ3 3.91Å; L16-W33 HydrophobicContact CD1-CE3 4.35Å; L16-W33 HydrophobicContact CD1-CZ3 4.07Å; C18-W33 HydrophobicContact CB-CH2 3.63Å; C18-W33 HydrophobicContact CB-CZ2 3.41Å; C18-W33 VanDerWaalsContact CB-CZ2 3.41Å; W33-M40 HydrophobicContact CB-CB 4.27Å; W33-M40 HydrophobicContact CB-CG 4.34Å; W33-M40 HydrophobicContact CB-SD 4.09Å; W33-M40 PolarHBondContact O-N 2.81Å; W33-S59 PolarHBondContact NE1-OG 3.31Å; W33-L61 HydrophobicContact CB-CD2 3.93Å; W33-L61 HydrophobicContact CD2-CB 4.18Å; W33-L61 HydrophobicContact CD2-CD2 4.19Å; W33-L61 HydrophobicContact CG-CB 4.16Å; W33-L61 HydrophobicContact CG-CD1 4.35Å; W33-L61 HydrophobicContact CG-CD2 3.87Å; W33-L61 HydrophobicContact CG-CG 4.37Å; W33-L61 HydrophobicContact CZ2-CB 4.4Å; W33-V74 HydrophobicContact CE3-CG1 3.55Å; W33-V74 HydrophobicContact CZ3-CG1 3.64Å; W33-T75 WeakPolarHBondContact CA-O 3.34Å; W33-C76 HydrophobicContact CE3-CB 4.33Å; W33-C76 HydrophobicContact CZ3-CB 4.22Å
34L98.6Very high97.1Very high15 Ų1576.6 Ų76.68%0.07942%0.42CS..EExtended strand (participates in β ladder)trans-126.7145.2174.4-48.191.8000110.7Q32 G37 V38 V74 T75 Q77Q32-L34 HydrophobicContact CG-CD1 4.46Å; L34-G37 WeakPolarHBondContact CD2-O 3.35Å; L34-V38 CarbonylContact C-O 3.51Å; L34-V38 WeakPolarHBondContact CA-O 3.22Å; L34-V74 CarbonylContact O-C 3.53Å; L34-V74 WeakPolarHBondContact O-CA 3.3Å; L34-T75 HydrophobicContact CD1-CG2 4.08Å; L34-T75 PolarHBondContact N-O 2.88Å; L34-T75 PolarHBondContact O-N 2.83Å; L34-Q77 HydrophobicContact CD1-CB 3.49Å; L34-Q77 VanDerWaalsContact CD1-CB 3.49Å
35L98.3Very high97.2Very high32 Ų3278.7 Ų78.717%0.16843%0.43CS..EExtended strand (participates in β ladder)trans-117.7118.2169.5179.367.2000107.7G37 V38 M40 K72 V74 L93L35-G37 PolarHBondContact O-N 2.96Å; L35-V38 PolarHBondContact N-O 2.97Å; L35-V38 PolarHBondContact O-N 3.14Å; L35-M40 HydrophobicContact CB-CG 3.94Å; L35-M40 HydrophobicContact CB-SD 4.24Å; L35-K72 HydrophobicContact CD1-CB 3.86Å; L35-K72 HydrophobicContact CD1-CD 4.4Å; L35-V74 HydrophobicContact CD1-CG2 3.82Å; L35-L93 HydrophobicContact CD1-CD1 4.13Å
36E97.8Very high97.4Very high103 Ų10372.6 Ų72.648%0.48142%0.415SS..THydrogen-bonded Turntrans51.940.9-173.6-65.1-65.1130.100112.6V38 K72 I73E36-V38 PolarHBondContact O-N 3.3Å; E36-K72 HydrophobicContact CG-CB 4.02Å; E36-K72 HydrophobicContact CG-CD 3.82Å; E36-K72 HydrophobicContact CG-CG 3.99Å; E36-K72 VanDerWaalsContact OE1-CA 3.25Å; E36-K72 WeakPolarHBondContact OE1-CA 3.27Å; E36-K72 WeakPolarHBondContact OE1-CB 3.34Å; E36-I73 PolarHBondContact N-O 3.41Å; E36-I73 PolarHBondContact OE1-N 2.95Å
37G97.2Very high97.4Very high53 Ų5371.6 Ų71.655%0.54640%0.397SS..THydrogen-bonded Turntrans75.12.3-179.900000115.4L34 L35L34-G37 WeakPolarHBondContact CD2-O 3.35Å; L35-G37 PolarHBondContact O-N 2.96Å
38V98Very high97.5Very high96 Ų9671 Ų7158%0.58240%0.404SS*.EExtended strand (participates in β ladder)trans-102.7131.9176.9-176.90000110.3L34 L35 E36 M40L34-V38 CarbonylContact C-O 3.51Å; L34-V38 WeakPolarHBondContact CA-O 3.22Å; L35-V38 PolarHBondContact N-O 2.97Å; L35-V38 PolarHBondContact O-N 3.14Å; E36-V38 PolarHBondContact O-N 3.3Å; V38-M40 PolarHBondContact O-N 3.01Å
39P97.9Very high97.6Very high71 Ų7168.1 Ų68.146%0.46139%0.386SS..EExtended strand (participates in β ladder)trans-54.1130175.8-27.435.5000112.4
40M97.5Very high97.5Very high31 Ų3169.6 Ų69.615%0.15339%0.394CS..PPolyproline II helixtrans-70.8141.6175.7-68.1-173.17200110.2W33 L35 V38 L61 F63W33-M40 HydrophobicContact CB-CB 4.27Å; W33-M40 HydrophobicContact CB-CG 4.34Å; W33-M40 HydrophobicContact CB-SD 4.09Å; W33-M40 PolarHBondContact O-N 2.81Å; L35-M40 HydrophobicContact CB-CG 3.94Å; L35-M40 HydrophobicContact CB-SD 4.24Å; V38-M40 PolarHBondContact O-N 3.01Å; M40-L61 HydrophobicContact CB-CD2 4.26Å; M40-L61 HydrophobicContact CE-CD2 3.47Å; M40-L61 VanDerWaalsContact CE-CD2 3.47Å; M40-L61 HydrophobicContact CG-CD2 4.49Å; M40-L61 HydrophobicContact SD-CD2 3.43Å; M40-L61 WeakPolarHBondContact SD-CD2 3.25Å; M40-F63 HydrophobicContact CE-CB 4.08Å; M40-F63 HydrophobicContact CE-CD2 4.31Å; M40-F63 HydrophobicContact CE-CG 4.28Å
41R95.8Very high97.5Very high248 Ų24868.4 Ų68.494%0.93639%0.393SS*.SBendtrans-80.7-21.1-177.7-64.8-173.6-179.1-172.70.2113.1
42Q96.6Very high97.3Very high86 Ų8676 Ų7640%0.40243%0.432SS..SBendtrans-65.9140.3-179.4-62.580.7200109.5L61 K62 F63Q42-L61 HydrophobicContact CB-CD1 3.77Å; Q42-L61 HydrophobicContact CB-CG 4.18Å; Q42-L61 VanDerWaalsContact O-CD1 3.28Å; Q42-L61 WeakPolarHBondContact O-CD1 3.31Å; Q42-K62 WeakPolarHBondContact CB-O 3.21Å; Q42-K62 WeakPolarHBondContact CG-O 3.4Å; Q42-F63 HydrophobicContact CG-CB 4.42Å
43A95.8Very high97.2Very high92 Ų9282.1 Ų82.176%0.7646%0.458SS*.PPolyproline II helixtrans-72.6130.8175.500000109.7
44A97.7Very high97.1Very high42 Ų4283.9 Ų83.935%0.34747%0.472SS..EExtended strand (participates in β ladder)trans-94.8143.8171.600000110.2S59 E60 L61A44-S59 WeakPolarHBondContact CB-OG 3.41Å; A44-E60 CarbonylContact C-O 3.51Å; A44-E60 WeakPolarHBondContact CA-O 3.47Å; A44-L61 HydrophobicContact CB-CD1 3.78Å
45V98.1Very high97Very high99 Ų9986.3 Ų86.360%0.649%0.487SS*.EExtended strand (participates in β ladder)trans-99.2119.4171.2179.70000108.2S59 E60V45-S59 CarbonylContact O-C 3.6Å; V45-S59 WeakPolarHBondContact O-CA 3.41Å; V45-E60 PolarHBondContact N-O 2.88Å; V45-E60 PolarHBondContact O-N 3.18Å
46T97.9Very high97Very high78 Ų7887 Ų8748%0.47949%0.488SS..EExtended strand (participates in β ladder)trans-103.9131.3177.4-58.70000110.2T57 R58T46-T57 HydrophobicContact CG2-CG2 3.86Å; T46-R58 CarbonylContact C-O 3.57Å; T46-R58 VanDerWaalsContact CA-O 3.3Å; T46-R58 WeakPolarHBondContact CA-O 3.28Å
47S97.4Very high97Very high50 Ų5082.2 Ų82.235%0.3547%0.467SS..EExtended strand (participates in β ladder)trans-128145175.659.40000110.4T57 R58S47-T57 CarbonylContact O-C 3.55Å; S47-R58 PolarHBondContact N-O 3.27Å; S47-R58 PolarHBondContact O-N 3.04Å
48T97.2Very high97.1Very high94 Ų9483.7 Ų83.758%0.57746%0.456SS*.EExtended strand (participates in β ladder)trans-128.3139.5-17955.10000110.1F56 T57T48-F56 CarbonylContact C-O 3.57Å; T48-F56 WeakPolarHBondContact CA-O 3.25Å; T48-T57 HydrophobicContact CG2-CG2 3.9Å
49S97.4Very high97.1Very high18 Ų1879.1 Ų79.113%0.12643%0.428CS..EExtended strand (participates in β ladder)trans-117.4129.4166.1-175.90000108.8S54 V55 F56S49-S54 PolarHBondContact OG-O 3.03Å; S49-S54 PolarHBondContact OG-OG 2.83Å; S49-V55 CarbonylContact O-C 3.59Å; S49-V55 VanDerWaalsContact O-CA 3.29Å; S49-V55 WeakPolarHBondContact O-CA 3.33Å; S49-F56 PolarHBondContact N-O 3.14Å; S49-F56 PolarHBondContact O-N 2.87Å
50L96.6Very high97.2Very high62 Ų6279 Ų7933%0.32542%0.421SS..EExtended strand (participates in β ladder)trans-136.676.6174.1-173.155.1000108.2S23 Y25 V55S23-L50 WeakPolarHBondContact O-CD1 3.26Å; Y25-L50 HydrophobicContact CD1-CD2 4.43Å; Y25-L50 HydrophobicContact CD2-CD2 3.6Å; Y25-L50 HydrophobicContact CE1-CD2 4.29Å; Y25-L50 HydrophobicContact CE2-CD2 3.44Å; Y25-L50 VanDerWaalsContact CE2-CD2 3.44Å; Y25-L50 HydrophobicContact CE2-CG 4.33Å; Y25-L50 HydrophobicContact CG-CD2 4.1Å; L50-V55 HydrophobicContact CD1-CG1 3.87Å; L50-V55 HydrophobicContact CD1-CG2 4.02Å
51T95.9Very high97.2Very high73 Ų7377.6 Ų77.645%0.44841%0.414SS..EExtended strand (participates in β ladder)trans-132.6165-175.4650000110.6K53 S54T51-K53 PolarHBondContact O-N 2.96Å; T51-K53 VanDerWaalsContact O-N 3.13Å; T51-K53 PolarHBondContact OG1-N 3.01Å; T51-S54 PolarHBondContact N-O 3.1Å; T51-S54 CarbonylContact O-C 3.53Å; T51-S54 PolarHBondContact O-N 3.31Å; T51-S54 PolarHBondContact OG1-N 2.75Å; T51-S54 PolarHBondContact OG1-O 3.49Å; T51-S54 VanDerWaalsContact OG1-O 3.06Å; T51-S54 PolarHBondContact OG1-OG 2.77Å
52I94.7Very high97.3Very high178 Ų17871.4 Ų71.491%0.91339%0.394SS*.THydrogen-bonded Turntrans-60.4-23174.963174.1000113.5
53K96Very high97.3Very high194 Ų19467.6 Ų67.684%0.84338%0.376SS*.THydrogen-bonded Turntrans-89.9-28.8-178.6-64.5-174.8-179.91790112.7T51T51-K53 PolarHBondContact O-N 2.96Å; T51-K53 VanDerWaalsContact O-N 3.13Å; T51-K53 PolarHBondContact OG1-N 3.01Å
54S96.1Very high97.3Very high47 Ų4765.9 Ų65.933%0.32936%0.359SS..EExtended strand (participates in β ladder)trans-159.4140-174.760.70000111.7S49 T51S49-S54 PolarHBondContact OG-O 3.03Å; S49-S54 PolarHBondContact OG-OG 2.83Å; T51-S54 PolarHBondContact N-O 3.1Å; T51-S54 CarbonylContact O-C 3.53Å; T51-S54 PolarHBondContact O-N 3.31Å; T51-S54 PolarHBondContact OG1-N 2.75Å; T51-S54 PolarHBondContact OG1-O 3.49Å; T51-S54 VanDerWaalsContact OG1-O 3.06Å; T51-S54 PolarHBondContact OG1-OG 2.77Å
55V97.6Very high97.2Very high66 Ų6663.9 Ų63.940%0.434%0.342SS..EExtended strand (participates in β ladder)trans-129.3111.6173.4-1790000108.5S49 L50S49-V55 CarbonylContact O-C 3.59Å; S49-V55 VanDerWaalsContact O-CA 3.29Å; S49-V55 WeakPolarHBondContact O-CA 3.33Å; L50-V55 HydrophobicContact CD1-CG1 3.87Å; L50-V55 HydrophobicContact CD1-CG2 4.02Å
56F97.8Very high97.1Very high45 Ų4563.1 Ų63.120%0.19733%0.332CS..EExtended strand (participates in β ladder)trans-157.5160177.168.1-97.9000112.6L19 L20 F22 T48 S49 R58L19-F56 HydrophobicContact CD1-CB 4Å; L19-F56 HydrophobicContact CD1-CD2 3.92Å; L19-F56 HydrophobicContact CD1-CG 4.1Å; L20-F56 CarbonylContact O-C 3.5Å; L20-F56 VanDerWaalsContact O-CA 3.23Å; L20-F56 WeakPolarHBondContact O-CA 3.43Å; L20-F56 WeakPolarHBondContact O-CB 3.01Å; F22-F56 CarbonylContact O-C 3.51Å; T48-F56 CarbonylContact C-O 3.57Å; T48-F56 WeakPolarHBondContact CA-O 3.25Å; S49-F56 PolarHBondContact N-O 3.14Å; S49-F56 PolarHBondContact O-N 2.87Å; F56-R58 HydrophobicContact CD2-CB 3.95Å; F56-R58 HydrophobicContact CE2-CB 3.97Å
57T98.4Very high97Very high4 Ų464 Ų643%0.02533%0.327CS..EExtended strand (participates in β ladder)trans-119.7131.9161.1-57.80000107.9L20 F22 I29 L31 T46 S47 T48L20-T57 PolarHBondContact N-O 2.86Å; L20-T57 PolarHBondContact O-N 2.78Å; F22-T57 WeakPolarHBondContact O-CB 3.33Å; F22-T57 PolarHBondContact O-N 3.32Å; F22-T57 PolarHBondContact O-OG1 3.25Å; I29-T57 HydrophobicContact CD1-CG2 3.87Å; L31-T57 HydrophobicContact CD1-CG2 3.89Å; L31-T57 HydrophobicContact CG-CG2 4.38Å; T46-T57 HydrophobicContact CG2-CG2 3.86Å; S47-T57 CarbonylContact O-C 3.55Å; T48-T57 HydrophobicContact CG2-CG2 3.9Å
58R98.6Very high96.9Very high84 Ų8465.3 Ų65.332%0.31734%0.335SS..EExtended strand (participates in β ladder)trans-127.2131.1-179.5-175.9-170.7-58.5174.41.2109.6T17 C18 L19 T46 S47 F56 E60T17-R58 HydrophobicContact CG2-CG 3.68Å; C18-R58 CarbonylContact O-C 3.58Å; C18-R58 VanDerWaalsContact O-CA 3.29Å; C18-R58 WeakPolarHBondContact O-CA 3.45Å; L19-R58 HydrophobicContact CD1-CB 4.01Å; L19-R58 HydrophobicContact CD1-CG 4.31Å; T46-R58 CarbonylContact C-O 3.57Å; T46-R58 VanDerWaalsContact CA-O 3.3Å; T46-R58 WeakPolarHBondContact CA-O 3.28Å; S47-R58 PolarHBondContact N-O 3.27Å; S47-R58 PolarHBondContact O-N 3.04Å; F56-R58 HydrophobicContact CD2-CB 3.95Å; F56-R58 HydrophobicContact CE2-CB 3.97Å; R58-E60 WeakPolarHBondContact CD-OE1 3.5Å; R58-E60 HydrophobicContact CG-CG 4.21Å; R58-E60 IonicContact NH1-OE1 3.49Å; R58-E60 PolarHBondContact NH1-OE1 3.28Å
59S98.7Very high96.9Very high0 Ų062.7 Ų62.70%032%0.317CS..EExtended strand (participates in β ladder)trans-114.4130170-176.30000109.7T17 C18 W33 A44 V45T17-S59 CarbonylContact C-O 3.57Å; T17-S59 WeakPolarHBondContact CA-O 3.42Å; C18-S59 PolarHBondContact N-O 2.71Å; C18-S59 PolarHBondContact O-N 2.95Å; W33-S59 PolarHBondContact NE1-OG 3.31Å; A44-S59 WeakPolarHBondContact CB-OG 3.41Å; V45-S59 CarbonylContact O-C 3.6Å; V45-S59 WeakPolarHBondContact O-CA 3.41Å
60E98.7Very high96.9Very high69 Ų6965.6 Ų65.632%0.32233%0.328SS..EExtended strand (participates in β ladder)trans-117.5125.6178-68.8177.1177.200109.5T15 L16 T17 A44 V45 R58T15-E60 HydrophobicContact CG2-CB 4.04Å; T15-E60 HydrophobicContact CG2-CG 4.43Å; L16-E60 CarbonylContact O-C 3.58Å; L16-E60 VanDerWaalsContact O-CA 3.29Å; L16-E60 WeakPolarHBondContact O-CA 3.43Å; T17-E60 HydrophobicContact CG2-CG 4.18Å; A44-E60 CarbonylContact C-O 3.51Å; A44-E60 WeakPolarHBondContact CA-O 3.47Å; V45-E60 PolarHBondContact N-O 2.88Å; V45-E60 PolarHBondContact O-N 3.18Å; R58-E60 WeakPolarHBondContact CD-OE1 3.5Å; R58-E60 HydrophobicContact CG-CG 4.21Å; R58-E60 IonicContact NH1-OE1 3.49Å; R58-E60 PolarHBondContact NH1-OE1 3.28Å
61L98.6Very high96.9Very high1 Ų164 Ų641%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-121.2120.1-179-172.785.2000109.9T15 L16 W33 M40 Q42 A44T15-L61 WeakPolarHBondContact CA-O 3.41Å; L16-L61 HydrophobicContact CB-CB 4.44Å; L16-L61 PolarHBondContact N-O 2.86Å; L16-L61 PolarHBondContact O-N 3.19Å; W33-L61 HydrophobicContact CB-CD2 3.93Å; W33-L61 HydrophobicContact CD2-CB 4.18Å; W33-L61 HydrophobicContact CD2-CD2 4.19Å; W33-L61 HydrophobicContact CG-CB 4.16Å; W33-L61 HydrophobicContact CG-CD1 4.35Å; W33-L61 HydrophobicContact CG-CD2 3.87Å; W33-L61 HydrophobicContact CG-CG 4.37Å; W33-L61 HydrophobicContact CZ2-CB 4.4Å; M40-L61 HydrophobicContact CB-CD2 4.26Å; M40-L61 HydrophobicContact CE-CD2 3.47Å; M40-L61 VanDerWaalsContact CE-CD2 3.47Å; M40-L61 HydrophobicContact CG-CD2 4.49Å; M40-L61 HydrophobicContact SD-CD2 3.43Å; M40-L61 WeakPolarHBondContact SD-CD2 3.25Å; Q42-L61 HydrophobicContact CB-CD1 3.77Å; Q42-L61 HydrophobicContact CB-CG 4.18Å; Q42-L61 VanDerWaalsContact O-CD1 3.28Å; Q42-L61 WeakPolarHBondContact O-CD1 3.31Å; A44-L61 HydrophobicContact CB-CD1 3.78Å
62K98.2Very high97Very high117 Ų11764 Ų6451%0.50932%0.32SS..EExtended strand (participates in β ladder)trans-84.5127.5170.7-73.1177.3159.3-132.90110.1E13 V14 Q42E13-K62 HydrophobicContact CG-CB 4.32Å; E13-K62 WeakPolarHBondContact OE1-CD 3.23Å; E13-K62 IonicContact OE1-NZ 2.84Å; E13-K62 PolarHBondContact OE1-NZ 2.98Å; V14-K62 WeakPolarHBondContact O-CA 3.41Å; Q42-K62 WeakPolarHBondContact CB-O 3.21Å; Q42-K62 WeakPolarHBondContact CG-O 3.4Å
63F95.2Very high97.2Very high7 Ų759 Ų593%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-146.2147.4176.384.1-65.7000110.9V14 L16 M40 Q42 P65 L93V14-F63 HydrophobicContact CB-CE1 4.29Å; V14-F63 HydrophobicContact CG2-CD1 3.65Å; V14-F63 HydrophobicContact CG2-CE1 3.13Å; V14-F63 HydrophobicContact CG2-CE2 4.44Å; V14-F63 HydrophobicContact CG2-CG 4.45Å; V14-F63 HydrophobicContact CG2-CZ 3.62Å; V14-F63 VanDerWaalsContact CG2-O 3.31Å; V14-F63 WeakPolarHBondContact CG2-O 3.49Å; V14-F63 PolarHBondContact N-O 2.82Å; V14-F63 PolarHBondContact O-N 3.43Å; L16-F63 HydrophobicContact CD1-CD1 3.74Å; L16-F63 HydrophobicContact CD1-CE1 3.5Å; L16-F63 HydrophobicContact CD1-CG 4.5Å; L16-F63 HydrophobicContact CD1-CZ 4.04Å; L16-F63 HydrophobicContact CD2-CD1 4.07Å; L16-F63 HydrophobicContact CD2-CE1 3.24Å; L16-F63 HydrophobicContact CD2-CZ 3.92Å; L16-F63 HydrophobicContact CG-CD1 3.51Å; L16-F63 HydrophobicContact CG-CE1 3.2Å; L16-F63 HydrophobicContact CG-CZ 4.13Å; M40-F63 HydrophobicContact CE-CB 4.08Å; M40-F63 HydrophobicContact CE-CD2 4.31Å; M40-F63 HydrophobicContact CE-CG 4.28Å; Q42-F63 HydrophobicContact CG-CB 4.42Å; F63-P65 HydrophobicContact CD2-CB 4.21Å; F63-P65 HydrophobicContact CD2-CG 4.22Å; F63-P65 HydrophobicContact CE2-CB 3.57Å; F63-P65 HydrophobicContact CE2-CG 3.58Å; F63-P65 HydrophobicContact CZ-CB 4.24Å; F63-P65 HydrophobicContact CZ-CG 3.83Å; F63-P65 WeakPolarHBondContact O-CD 3.45Å; F63-L93 HydrophobicContact CE2-CD1 4.2Å; F63-L93 HydrophobicContact CZ-CD1 4.48Å; F63-L93 HydrophobicContact CZ-CD2 4.11Å
64S97Very high97.4Very high56 Ų5649.8 Ų49.839%0.39225%0.254SS..  trans-10599.9171.7-560000108.5
65P96.3Very high97.5Very high0 Ų048.2 Ų48.20%024%0.243CC..  trans-62.7155.2179.110.4-8.4000111.1I8 E10 S11 Q12 V14 F63 H69 V95I8-P65 HydrophobicContact CG2-CB 4.17Å; I8-P65 HydrophobicContact CG2-CG 3.26Å; E10-P65 CarbonylContact C-O 3.59Å; S11-P65 PolarHBondContact N-O 3.36Å; Q12-P65 VanDerWaalsContact O-CD 3.23Å; Q12-P65 WeakPolarHBondContact O-CD 3.42Å; V14-P65 HydrophobicContact CG2-CG 3.93Å; F63-P65 HydrophobicContact CD2-CB 4.21Å; F63-P65 HydrophobicContact CD2-CG 4.22Å; F63-P65 HydrophobicContact CE2-CB 3.57Å; F63-P65 HydrophobicContact CE2-CG 3.58Å; F63-P65 HydrophobicContact CZ-CB 4.24Å; F63-P65 HydrophobicContact CZ-CG 3.83Å; F63-P65 WeakPolarHBondContact O-CD 3.45Å; P65-H69 HydrophobicContact CB-CB 4.48Å; P65-V95 HydrophobicContact CB-CG1 4.02Å; P65-V95 HydrophobicContact CB-CG2 3.79Å; P65-V95 HydrophobicContact CG-CG1 4.48Å; P65-V95 HydrophobicContact CG-CG2 4.47Å
66Q95.9Very high97.5Very high82 Ų8245.3 Ų45.338%0.38323%0.225SC..  trans-113.5161.4167.9-64.4-62.6-68.200107.3S11 S68 H69S11-Q66 PolarHBondContact OG-NE2 2.82Å; Q66-S68 PolarHBondContact O-N 2.86Å; Q66-S68 VanDerWaalsContact O-N 3.1Å; Q66-H69 PolarHBondContact N-ND1 3.34Å; Q66-H69 WeakPolarHBondContact O-CB 3.44Å; Q66-H69 PolarHBondContact O-N 2.91Å
67W94.4Very high97.6Very high98 Ų9844.9 Ų44.937%0.37122%0.224SC..G310 helixtrans-52.2-34.7174.9171.9-108000112.9E10 H69 H70 V95 R97E10-W67 VanDerWaalsContact OE2-CB 3.22Å; E10-W67 WeakPolarHBondContact OE2-CB 3.37Å; E10-W67 PolarHBondContact OE2-N 3.16Å; W67-H69 PolarHBondContact O-N 2.95Å; W67-H70 HydrophobicContact CE3-CB 4.2Å; W67-H70 HydrophobicContact CH2-CB 4.35Å; W67-H70 HydrophobicContact CZ3-CB 4.12Å; W67-H70 VanDerWaalsContact O-CB 3.26Å; W67-H70 WeakPolarHBondContact O-CB 3.5Å; W67-H70 PolarHBondContact O-N 2.76Å; W67-V95 WeakPolarHBondContact CZ3-O 3.34Å; W67-R97 HydrophobicContact CB-CG 4.29Å; W67-R97 HydrophobicContact CD2-CB 4.38Å; W67-R97 HydrophobicContact CD2-CG 3.91Å; W67-R97 VanDerWaalsContact CD2-NE 3.34Å; W67-R97 VanDerWaalsContact CE2-NE 3.33Å; W67-R97 HydrophobicContact CE3-CB 3.72Å; W67-R97 HydrophobicContact CE3-CG 3.73Å; W67-R97 HydrophobicContact CG-CG 4.13Å; W67-R97 HydrophobicContact CZ3-CB 4.01Å; W67-R97 HydrophobicContact CZ3-CG 4.43Å
68S95.5Very high97.6Very high76 Ų7645.8 Ų45.853%0.53123%0.229SC..G310 helixtrans-63.4-7174.9580000114.9Q66 K72Q66-S68 PolarHBondContact O-N 2.86Å; Q66-S68 VanDerWaalsContact O-N 3.1Å; S68-K72 WeakPolarHBondContact O-CE 3.15Å; S68-K72 PolarHBondContact O-NZ 3.03Å
69H97.1Very high97.6Very high40 Ų4042.6 Ų42.619%0.18522%0.217CC..G310 helixtrans-94.6-8.3172.6-56.5145.7000113P65 Q66 W67 G71 K72 L93 V95P65-H69 HydrophobicContact CB-CB 4.48Å; Q66-H69 PolarHBondContact N-ND1 3.34Å; Q66-H69 WeakPolarHBondContact O-CB 3.44Å; Q66-H69 PolarHBondContact O-N 2.91Å; W67-H69 PolarHBondContact O-N 2.95Å; H69-G71 PolarHBondContact O-N 2.8Å; H69-K72 WeakPolarHBondContact O-CB 3.49Å; H69-K72 PolarHBondContact O-N 2.86Å; H69-L93 HydrophobicContact CB-CD1 4.1Å; H69-V95 HydrophobicContact CB-CG2 4.28Å
70H97.3Very high97.5Very high79 Ų7943.6 Ų43.637%0.36622%0.223SC..THydrogen-bonded Turntrans-58.9133.9173.5-174.482.4000110.9W67 K72 N94 V95W67-H70 HydrophobicContact CE3-CB 4.2Å; W67-H70 HydrophobicContact CH2-CB 4.35Å; W67-H70 HydrophobicContact CZ3-CB 4.12Å; W67-H70 VanDerWaalsContact O-CB 3.26Å; W67-H70 WeakPolarHBondContact O-CB 3.5Å; W67-H70 PolarHBondContact O-N 2.76Å; H70-K72 PolarHBondContact O-N 2.84Å; H70-N94 PolarHBondContact CE1-OD1 2.86Å; H70-V95 HydrophobicContact CB-CB 4.09Å; H70-V95 PolarHBondContact ND1-N 2.8Å; H70-V95 VanDerWaalsContact ND1-N 3.16Å; H70-V95 PolarHBondContact ND1-O 2.84Å
71G97.4Very high97.4Very high28 Ų2842.7 Ų42.729%0.28923%0.227SC..THydrogen-bonded Turntrans77.4-5.5-179.300000115H69 Q92 L93H69-G71 PolarHBondContact O-N 2.8Å; G71-Q92 WeakPolarHBondContact O-CG 3.31Å; G71-Q92 PolarHBondContact O-NE2 2.93Å; G71-L93 PolarHBondContact N-O 2.82Å
72K98.4Very high97.2Very high72 Ų7250 Ų5031%0.31327%0.266SS..PPolyproline II helixtrans-78.1151.7176.5-66.3-168.4176.2170.80112.1L35 E36 S68 H69 H70 L93L35-K72 HydrophobicContact CD1-CB 3.86Å; L35-K72 HydrophobicContact CD1-CD 4.4Å; E36-K72 HydrophobicContact CG-CB 4.02Å; E36-K72 HydrophobicContact CG-CD 3.82Å; E36-K72 HydrophobicContact CG-CG 3.99Å; E36-K72 VanDerWaalsContact OE1-CA 3.25Å; E36-K72 WeakPolarHBondContact OE1-CA 3.27Å; E36-K72 WeakPolarHBondContact OE1-CB 3.34Å; S68-K72 WeakPolarHBondContact O-CE 3.15Å; S68-K72 PolarHBondContact O-NZ 3.03Å; H69-K72 WeakPolarHBondContact O-CB 3.49Å; H69-K72 PolarHBondContact O-N 2.86Å; H70-K72 PolarHBondContact O-N 2.84Å; K72-L93 PolarHBondContact O-N 2.99Å
73I98.6Very high97.1Very high74 Ų7446 Ų4638%0.37926%0.258SS..EExtended strand (participates in β ladder)trans-91.3123.2-179.9-59.4176.9000109.4E36 T90 V91E36-I73 PolarHBondContact N-O 3.41Å; E36-I73 PolarHBondContact OE1-N 2.95Å; I73-T90 HydrophobicContact CG2-CG2 4.13Å; I73-V91 WeakPolarHBondContact CA-O 3.29Å
74V98.6Very high97.2Very high0 Ų052.4 Ų52.40%029%0.285CS..EExtended strand (participates in β ladder)trans-95.6134164.3173.60000108.7L16 W33 L34 L35 T90 V91 L93L16-V74 HydrophobicContact CD1-CG1 3.99Å; L16-V74 HydrophobicContact CD1-CG2 4.37Å; W33-V74 HydrophobicContact CE3-CG1 3.55Å; W33-V74 HydrophobicContact CZ3-CG1 3.64Å; L34-V74 CarbonylContact O-C 3.53Å; L34-V74 WeakPolarHBondContact O-CA 3.3Å; L35-V74 HydrophobicContact CD1-CG2 3.82Å; V74-T90 CarbonylContact O-C 3.35Å; V74-T90 VanDerWaalsContact O-CA 3.3Å; V74-T90 WeakPolarHBondContact O-CA 3.49Å; V74-V91 HydrophobicContact CB-CG2 4.25Å; V74-V91 PolarHBondContact N-O 2.8Å; V74-V91 PolarHBondContact O-N 3.5Å; V74-L93 HydrophobicContact CG2-CD1 3.65Å; V74-L93 HydrophobicContact CG2-CD2 3.87Å; V74-L93 HydrophobicContact CG2-CG 3.7Å
75T98.8Very high97.3Very high15 Ų1554.8 Ų54.89%0.09229%0.289CS..EExtended strand (participates in β ladder)trans-117.5134.5177.3-52.80000109.6W33 L34 Q77 N88 D89 T90W33-T75 WeakPolarHBondContact CA-O 3.34Å; L34-T75 HydrophobicContact CD1-CG2 4.08Å; L34-T75 PolarHBondContact N-O 2.88Å; L34-T75 PolarHBondContact O-N 2.83Å; T75-Q77 HydrophobicContact CG2-CB 4.5Å; T75-N88 HydrophobicContact CG2-CB 3.66Å; T75-D89 WeakPolarHBondContact CA-O 3.29Å; T75-T90 HydrophobicContact CG2-CG2 3.98Å
76C98.7Very high97.4Very high4 Ų457.7 Ų57.73%0.02730%0.304CS..EExtended strand (participates in β ladder)trans-105.6108.6162.8175.60000107.1I2 C18 W33 N88 D89I2-C76 HydrophobicContact CD1-CB 3.8Å; I2-C76 HydrophobicContact CG1-CB 3.7Å; C18-C76 HydrophobicContact CB-CB 3.67Å; C18-C76 WeakPolarHBondContact CB-SG 3.4Å; C18-C76 WeakPolarHBondContact SG-CB 3.33Å; C18-C76 CovalentContact SG-SG 2.03Å; C18-C76 PolarHBondContact SG-SG 2.85Å; W33-C76 HydrophobicContact CE3-CB 4.33Å; W33-C76 HydrophobicContact CZ3-CB 4.22Å; C76-N88 VanDerWaalsContact O-CA 3.29Å; C76-N88 WeakPolarHBondContact O-CA 3.3Å; C76-D89 PolarHBondContact N-O 2.89Å; C76-D89 PolarHBondContact O-N 3.33Å
77Q98.6Very high97.5Very high37 Ų3756.2 Ų56.217%0.17330%0.303CS..EExtended strand (participates in β ladder)trans-97130.2-177.2-17517493.400110.2L31 Q32 L34 T75 Q79 F85L31-Q77 CarbonylContact C-O 3.56Å; L31-Q77 WeakPolarHBondContact CA-O 3.29Å; Q32-Q77 PolarHBondContact N-O 3.22Å; Q32-Q77 PolarHBondContact O-N 3.11Å; L34-Q77 HydrophobicContact CD1-CB 3.49Å; L34-Q77 VanDerWaalsContact CD1-CB 3.49Å; T75-Q77 HydrophobicContact CG2-CB 4.5Å; Q77-Q79 HydrophobicContact CG-CG 4.27Å; Q77-F85 VanDerWaalsContact CD-CD2 3.5Å; Q77-F85 HydrophobicContact CG-CD2 3.54Å; Q77-F85 HydrophobicContact CG-CE2 3.83Å
78L98.6Very high97.7Very high23 Ų2355.7 Ų55.712%0.1231%0.307CS..EExtended strand (participates in β ladder)trans-88.6127.1171.1177.162.2000109.2L20 I29 L31 L86 S87L20-L78 HydrophobicContact CD2-CD1 3.82Å; L20-L78 HydrophobicContact CD2-CD2 4.11Å; I29-L78 HydrophobicContact CB-CD1 3.77Å; I29-L78 HydrophobicContact CD1-CD1 3.7Å; I29-L78 HydrophobicContact CG1-CD1 4.19Å; I29-L78 HydrophobicContact CG2-CD1 4.14Å; L31-L78 HydrophobicContact CD2-CB 4.41Å; L31-L78 HydrophobicContact CD2-CD1 3.89Å; L78-L86 HydrophobicContact CB-CB 4.46Å; L78-L86 HydrophobicContact CD2-CB 4.11Å; L78-L86 HydrophobicContact CD2-CD1 4.28Å; L78-L86 HydrophobicContact CG-CB 3.98Å; L78-L86 HydrophobicContact CG-CD1 4.04Å; L78-L86 PolarHBondContact O-N 3.31Å; L78-S87 PolarHBondContact N-O 2.99Å; L78-S87 PolarHBondContact O-N 3.02Å
79Q98.3Very high97.8Very high16 Ų1654.3 Ų54.38%0.07529%0.294CS..EExtended strand (participates in β ladder)trans-124156175.1-65.5169.1300110.8I29 Q30 Q77 K84I29-Q79 CarbonylContact C-O 3.56Å; I29-Q79 VanDerWaalsContact CA-O 3.29Å; I29-Q79 WeakPolarHBondContact CA-O 3.4Å; I29-Q79 WeakPolarHBondContact CB-O 2.97Å; Q30-Q79 HydrophobicContact CB-CB 4.34Å; Q30-Q79 PolarHBondContact N-O 2.85Å; Q30-Q79 PolarHBondContact O-N 3.45Å; Q77-Q79 HydrophobicContact CG-CG 4.27Å; Q79-K84 CarbonylContact C-O 3.58Å; Q79-K84 WeakPolarHBondContact CA-O 3.48Å
80D97.3Very high97.9Very high22 Ų2255.8 Ų55.812%0.11831%0.306CS..EExtended strand (participates in β ladder)trans-75.6-176.616468.415.4000111.4D82 G83 K84 L86D80-D82 PolarHBondContact O-N 2.89Å; D80-D82 WeakPolarHBondContact OD1-CA 3.01Å; D80-D82 PolarHBondContact OD1-N 3.41Å; D80-G83 PolarHBondContact O-N 2.87Å; D80-G83 VanDerWaalsContact O-N 3.15Å; D80-G83 PolarHBondContact OD1-N 2.81Å; D80-G83 VanDerWaalsContact OD1-N 3.12Å; D80-K84 PolarHBondContact N-O 2.98Å; D80-K84 VanDerWaalsContact OD1-CB 3.31Å; D80-K84 WeakPolarHBondContact OD1-CB 3.44Å; D80-K84 PolarHBondContact OD1-N 2.92Å; D80-K84 VanDerWaalsContact OD2-CB 3.27Å; D80-K84 WeakPolarHBondContact OD2-CB 3.4Å; D80-L86 HydrophobicContact CB-CD1 4.08Å; D80-L86 HydrophobicContact CB-CD2 4.4Å; D80-L86 HydrophobicContact CB-CG 4.42Å
81A95.6Very high97.9Very high49 Ų4953.4 Ų53.441%0.40530%0.297SS..THydrogen-bonded Turntrans-63.3-26.8-179.700000114.1P28 Q30 G83P28-A81 HydrophobicContact CB-CB 4.26Å; P28-A81 HydrophobicContact CG-CB 3.9Å; P28-A81 PolarHBondContact O-N 3.12Å; Q30-A81 PolarHBondContact NE2-O 3.15Å; Q30-A81 VanDerWaalsContact NE2-O 3.07Å; A81-G83 VanDerWaalsContact C-N 3.28Å
82D96.3Very high98Very high155 Ų15558.5 Ų58.583%0.82931%0.314SS*.THydrogen-bonded Turntrans-87.40.5179.2-60.4-45.4000112.2D80D80-D82 PolarHBondContact O-N 2.89Å; D80-D82 WeakPolarHBondContact OD1-CA 3.01Å; D80-D82 PolarHBondContact OD1-N 3.41Å
83G95.9Very high98Very high32 Ų3255.2 Ų55.233%0.3330%0.299SS..  trans8311.8-178.900000113.7D80 A81D80-G83 PolarHBondContact O-N 2.87Å; D80-G83 VanDerWaalsContact O-N 3.15Å; D80-G83 PolarHBondContact OD1-N 2.81Å; D80-G83 VanDerWaalsContact OD1-N 3.12Å; A81-G83 VanDerWaalsContact C-N 3.28Å
84K97.7Very high97.9Very high142 Ų14255.7 Ų55.762%0.61730%0.303SS*.  trans-73.6134.8176.8-173.7-172.8172.6-176.30110.1Q79 D80 L86Q79-K84 CarbonylContact C-O 3.58Å; Q79-K84 WeakPolarHBondContact CA-O 3.48Å; D80-K84 PolarHBondContact N-O 2.98Å; D80-K84 VanDerWaalsContact OD1-CB 3.31Å; D80-K84 WeakPolarHBondContact OD1-CB 3.44Å; D80-K84 PolarHBondContact OD1-N 2.92Å; D80-K84 VanDerWaalsContact OD2-CB 3.27Å; D80-K84 WeakPolarHBondContact OD2-CB 3.4Å; K84-L86 PolarHBondContact O-N 3.07Å
85F97.9Very high97.8Very high106 Ų10655.8 Ų55.847%0.46530%0.303SS..EExtended strand (participates in β ladder)trans-58.2131.4174.5176.8-102.1000112.7Q77 S87 N88Q77-F85 VanDerWaalsContact CD-CD2 3.5Å; Q77-F85 HydrophobicContact CG-CD2 3.54Å; Q77-F85 HydrophobicContact CG-CE2 3.83Å; F85-S87 VanDerWaalsContact CE2-C 3.49Å; F85-S87 WeakPolarHBondContact CE2-O 3.34Å; F85-N88 HydrophobicContact CE2-CB 4.15Å
86L98Very high97.7Very high61 Ų6159.4 Ų59.432%0.31932%0.317SS..EExtended strand (participates in β ladder)trans-115.3-49173.3-58.6179.6000112Y27 I29 L78 D80 K84Y27-L86 HydrophobicContact CE1-CD1 3.97Å; I29-L86 HydrophobicContact CG2-CD1 4.4Å; L78-L86 HydrophobicContact CB-CB 4.46Å; L78-L86 HydrophobicContact CD2-CB 4.11Å; L78-L86 HydrophobicContact CD2-CD1 4.28Å; L78-L86 HydrophobicContact CG-CB 3.98Å; L78-L86 HydrophobicContact CG-CD1 4.04Å; L78-L86 PolarHBondContact O-N 3.31Å; D80-L86 HydrophobicContact CB-CD1 4.08Å; D80-L86 HydrophobicContact CB-CD2 4.4Å; D80-L86 HydrophobicContact CB-CG 4.42Å; K84-L86 PolarHBondContact O-N 3.07Å
87S98.3Very high97.2Very high52 Ų5266.4 Ų66.436%0.36434%0.343SS..EExtended strand (participates in β ladder)trans-165.5177.617866.50000111.3L78 F85L78-S87 PolarHBondContact N-O 2.99Å; L78-S87 PolarHBondContact O-N 3.02Å; F85-S87 VanDerWaalsContact CE2-C 3.49Å; F85-S87 WeakPolarHBondContact CE2-O 3.34Å
88N98.4Very high96.1Very high86 Ų8669 Ų6946%0.4636%0.355SS..EExtended strand (participates in β ladder)trans-147.7164.9172.161.76.2000112.8T75 C76 F85T75-N88 HydrophobicContact CG2-CB 3.66Å; C76-N88 VanDerWaalsContact O-CA 3.29Å; C76-N88 WeakPolarHBondContact O-CA 3.3Å; F85-N88 HydrophobicContact CE2-CB 4.15Å
89D98.6Very high94.4Very high48 Ų4871.7 Ų71.726%0.25738%0.376SS..EExtended strand (participates in β ladder)trans-124.4151.6160.5-171.324000109H1 I2 T75 C76H1-D89 VanDerWaalsContact C-OD2 3.23Å; H1-D89 WeakPolarHBondContact CA-OD2 2.94Å; H1-D89 IonicContact CG-OD2 3.97Å; H1-D89 IonicContact ND1-OD2 3.36Å; H1-D89 PolarHBondContact ND1-OD2 2.86Å; I2-D89 HydrophobicContact CD1-CB 4.33Å; I2-D89 WeakPolarHBondContact CD1-O 3.15Å; I2-D89 HydrophobicContact CG1-CB 4.23Å; I2-D89 PolarHBondContact N-OD2 2.03Å; T75-D89 WeakPolarHBondContact CA-O 3.29Å; C76-D89 PolarHBondContact N-O 2.89Å; C76-D89 PolarHBondContact O-N 3.33Å
90T98.6Very high92.4Very high70 Ų7076.5 Ų76.543%0.42941%0.409SS..EExtended strand (participates in β ladder)trans-138.2140-174.3590000111.7I73 V74 T75I73-T90 HydrophobicContact CG2-CG2 4.13Å; V74-T90 CarbonylContact O-C 3.35Å; V74-T90 VanDerWaalsContact O-CA 3.3Å; V74-T90 WeakPolarHBondContact O-CA 3.49Å; T75-T90 HydrophobicContact CG2-CG2 3.98Å
91V98.4Very high90.1Very high29 Ų2984.9 Ų84.918%0.17644%0.439CS..EExtended strand (participates in β ladder)trans-137.1145.7173.6-65.90000110.4I2 L4 I73 V74I2-V91 HydrophobicContact CB-CG1 3.88Å; I2-V91 HydrophobicContact CB-CG2 4.07Å; I2-V91 HydrophobicContact CD1-CG1 4.4Å; I2-V91 HydrophobicContact CD1-CG2 3.97Å; I2-V91 HydrophobicContact CG2-CG1 4.19Å; I2-V91 HydrophobicContact CG2-CG2 3.57Å; L4-V91 HydrophobicContact CD1-CB 4.19Å; L4-V91 HydrophobicContact CD1-CG2 3.95Å; L4-V91 HydrophobicContact CD2-CG2 3.8Å; L4-V91 HydrophobicContact CG-CG2 4.01Å; I73-V91 WeakPolarHBondContact CA-O 3.29Å; V74-V91 HydrophobicContact CB-CG2 4.25Å; V74-V91 PolarHBondContact N-O 2.8Å; V74-V91 PolarHBondContact O-N 3.5Å
92Q98.4Very high87.7Confident136 Ų13690.5 Ų90.564%0.63646%0.456SS*.EExtended strand (participates in β ladder)trans-89.8130.5174.2-168.3176.144.700110.4G71G71-Q92 WeakPolarHBondContact O-CG 3.31Å; G71-Q92 PolarHBondContact O-NE2 2.93Å
93L98Very high85.1Confident2 Ų288 Ų881%0.0146%0.457CS..  trans-75.3126.2179.5-68.1177.8000111.7L4 I8 L35 F63 H69 G71 K72 V74 V95L4-L93 HydrophobicContact CD2-CD2 4.3Å; I8-L93 HydrophobicContact CD1-CD2 4.12Å; L35-L93 HydrophobicContact CD1-CD1 4.13Å; F63-L93 HydrophobicContact CE2-CD1 4.2Å; F63-L93 HydrophobicContact CZ-CD1 4.48Å; F63-L93 HydrophobicContact CZ-CD2 4.11Å; H69-L93 HydrophobicContact CB-CD1 4.1Å; G71-L93 PolarHBondContact N-O 2.82Å; K72-L93 PolarHBondContact O-N 2.99Å; V74-L93 HydrophobicContact CG2-CD1 3.65Å; V74-L93 HydrophobicContact CG2-CD2 3.87Å; V74-L93 HydrophobicContact CG2-CG 3.7Å; L93-V95 HydrophobicContact CB-CG2 4.11Å
94N97.5Very high82.6Confident85 Ų8589.2 Ų89.246%0.45546%0.46SS..  trans-103.475.3169.8-176.311000110H70 K96H70-N94 PolarHBondContact CE1-OD1 2.86Å; N94-K96 PolarHBondContact ND2-NZ 2.76Å; N94-K96 PolarHBondContact OD1-NZ 3.18Å
95V97Very high80.1Confident1 Ų184.7 Ų84.71%0.00645%0.454CS..EExtended strand (participates in β ladder)trans-78.6125.5178.7-172.60000109.8I8 E10 P65 W67 H69 H70 L93I8-V95 HydrophobicContact CG2-CG1 4.45Å; I8-V95 HydrophobicContact CG2-CG2 4.14Å; I8-V95 CarbonylContact O-C 3.54Å; I8-V95 WeakPolarHBondContact O-CA 3.29Å; E10-V95 HydrophobicContact CB-CG1 4.06Å; P65-V95 HydrophobicContact CB-CG1 4.02Å; P65-V95 HydrophobicContact CB-CG2 3.79Å; P65-V95 HydrophobicContact CG-CG1 4.48Å; P65-V95 HydrophobicContact CG-CG2 4.47Å; W67-V95 WeakPolarHBondContact CZ3-O 3.34Å; H69-V95 HydrophobicContact CB-CG2 4.28Å; H70-V95 HydrophobicContact CB-CB 4.09Å; H70-V95 PolarHBondContact ND1-N 2.8Å; H70-V95 VanDerWaalsContact ND1-N 3.16Å; H70-V95 PolarHBondContact ND1-O 2.84Å; L93-V95 HydrophobicContact CB-CG2 4.11Å
96K94.9Very high77.2Confident91 Ų9190.2 Ų90.240%0.39648%0.477SS..EExtended strand (participates in β ladder)trans-85137.7172.3-58.9-53-174.2-166.30109.8I8 Q9 E10 N94I8-K96 PolarHBondContact O-N 3.1Å; Q9-K96 WeakPolarHBondContact CA-O 3.35Å; Q9-K96 HydrophobicContact CG-CB 4.32Å; E10-K96 PolarHBondContact N-O 2.87Å; N94-K96 PolarHBondContact ND2-NZ 2.76Å; N94-K96 PolarHBondContact OD1-NZ 3.18Å
97R89.4Confident74.7Confident152 Ų15291.3 Ų91.357%0.57450%0.504SS*.PPolyproline II helixtrans-71.9136171-136.8-177.1-72.2168.5-4108E10 W67 S99E10-R97 VanDerWaalsContact OE1-CG 3.25Å; E10-R97 WeakPolarHBondContact OE1-CG 3.44Å; W67-R97 HydrophobicContact CB-CG 4.29Å; W67-R97 HydrophobicContact CD2-CB 4.38Å; W67-R97 HydrophobicContact CD2-CG 3.91Å; W67-R97 VanDerWaalsContact CD2-NE 3.34Å; W67-R97 VanDerWaalsContact CE2-NE 3.33Å; W67-R97 HydrophobicContact CE3-CB 3.72Å; W67-R97 HydrophobicContact CE3-CG 3.73Å; W67-R97 HydrophobicContact CG-CG 4.13Å; W67-R97 HydrophobicContact CZ3-CB 4.01Å; W67-R97 HydrophobicContact CZ3-CG 4.43Å; R97-S99 PolarHBondContact O-N 2.79Å; R97-S99 VanDerWaalsContact O-N 3.14Å
98E74.7Confident72.2Confident91 Ų9196.9 Ų96.943%0.42552%0.521SS..  trans-69113.9170.2-171.8163.1-164.700105.8E10 P100E10-E98 HydrophobicContact CG-CB 3.99Å; E10-E98 PolarHBondContact OE1-N 3.29Å; E98-P100 WeakPolarHBondContact O-CD 3.23Å
99S63.7Low69.6Low80 Ų8099 Ų9956%0.55954%0.537SS*.  trans-55.5128.6175.356.50000107.7R97 R101R97-S99 PolarHBondContact O-N 2.79Å; R97-S99 VanDerWaalsContact O-N 3.14Å; S99-R101 PolarHBondContact O-N 2.84Å
100P56.9Low67.1Low116 Ų116101.6 Ų101.675%0.75356%0.558SS**  trans-56.3105.8175.8-23.732.4000108.7E98 H102E98-P100 WeakPolarHBondContact O-CD 3.23Å; P100-H102 PolarHBondContact O-N 3.49Å
101R48Very low64.4Low199 Ų199103 Ų10375%0.75157%0.566SS**  trans-77.853.1168.7-81.8-163.3-92.5-150.7-6.2109.6S99S99-R101 PolarHBondContact O-N 2.84Å
102H44.3Very low61.7Low167 Ų167108.3 Ų108.377%0.77360%0.598SS**SBendtrans-137110.6160.1-73.8-79.2000107.6P100 C104P100-H102 PolarHBondContact O-N 3.49Å; H102-C104 PolarHBondContact O-N 2.73Å
103A43.4Very low58.8Low102 Ų102109.4 Ų109.484%0.84360%0.601SS**  trans-47.6105.6177.100000110.8G105A103-G105 PolarHBondContact O-N 3.36Å
104C42.4Very low55.6Low58 Ų58115.1 Ų115.139%0.39264%0.642SS.*  trans-67.495149-141.10000105.2H102 K106 K108H102-C104 PolarHBondContact O-N 2.73Å; C104-K106 PolarHBondContact O-N 2.74Å; C104-K108 WeakPolarHBondContact SG-CB 3.45Å; C104-K108 PolarHBondContact SG-O 2.73Å
105G44.4Very low52.9Low47 Ų47116.9 Ų116.949%0.48566%0.658SS.*  trans-46.5134.7169.900000108.2A103 G107A103-G105 PolarHBondContact O-N 3.36Å; G105-G107 PolarHBondContact O-N 2.78Å; G105-G107 VanDerWaalsContact O-N 3.14Å
106K38.2Very low50Low222 Ų222120.8 Ų120.897%0.96569%0.69SS**THydrogen-bonded Turntrans-40122.3-170.2-67.8-160.6177-172.80111.4C104C104-K106 PolarHBondContact O-N 2.74Å
107G45Very low47.3Very low84 Ų84121.9 Ų121.987%0.86671%0.707SS**THydrogen-bonded Turntrans100.421.1174.700000117.3G105G105-G107 PolarHBondContact O-N 2.78Å; G105-G107 VanDerWaalsContact O-N 3.14Å
108K45.1Very low44.7Very low168 Ų168124 Ų12473%0.7372%0.723SS**  trans-119.3143.6170.9-71.3-176.4-175.8-174.70111.7C104C104-K108 WeakPolarHBondContact SG-CB 3.45Å; C104-K108 PolarHBondContact SG-O 2.73Å
109V44.8Very low43Very low130 Ų130123.4 Ų123.479%0.78874%0.741SS**  trans-96.5126.7175.4175.70000108.1V111V109-V111 PolarHBondContact O-N 3.23Å
110C46.4Very low41.3Very low103 Ų103123.9 Ų123.970%0.69675%0.75SS**  trans-80.4111170.9-70.20000108.7
111V41.8Very low40Very low100 Ų100125.2 Ų125.261%0.60676%0.76SS**  trans-98.2116171.7-121.90000108.1V109 F113V109-V111 PolarHBondContact O-N 3.23Å; V111-F113 HydrophobicContact CB-CD2 4.38Å; V111-F113 HydrophobicContact CB-CE2 3.75Å; V111-F113 HydrophobicContact CB-CZ 4.02Å; V111-F113 HydrophobicContact CG1-CZ 4.42Å; V111-F113 HydrophobicContact CG2-CE2 4.03Å; V111-F113 HydrophobicContact CG2-CZ 4.25Å
112T41.7Very low39.4Very low140 Ų140121.9 Ų121.986%0.85976%0.762SS**  trans-84.3113.9168.341.60000108.9
113F37.5Very low38.7Very low159 Ų159123.4 Ų123.470%0.69777%0.77SS**  trans-89.9126.8172.5-64.7-87.8000109.4V111V111-F113 HydrophobicContact CB-CD2 4.38Å; V111-F113 HydrophobicContact CB-CE2 3.75Å; V111-F113 HydrophobicContact CB-CZ 4.02Å; V111-F113 HydrophobicContact CG1-CZ 4.42Å; V111-F113 HydrophobicContact CG2-CE2 4.03Å; V111-F113 HydrophobicContact CG2-CZ 4.25Å
114S30.9Very low38.3Very low122 Ų122122 Ų12285%0.85377%0.765SS**SBendtrans-126.6133.7164.9-96.20000109.3
115P40.3Very low37.8Very low122 Ų122130.8 Ų130.879%0.79279%0.79SS**SBendcis-83.3141.6-2.225.1-15.3000111.7P117P115-P117 WeakPolarHBondContact O-CD 3.29Å
116A36.5Very low37.3Very low84 Ų84132.1 Ų132.169%0.69480%0.804SS**PPolyproline II helixtrans-70.1120.6-179.100000111.7
117P37.3Very low36.9Very low114 Ų114130.9 Ų130.974%0.7480%0.798SS**PPolyproline II helixtrans-79.9133153.517-0.6000107.8P115 G119P115-P117 WeakPolarHBondContact O-CD 3.29Å; P117-G119 PolarHBondContact O-N 2.8Å
118Q34.8Very low36.4Very low197 Ų197132.7 Ų132.792%0.92180%0.795SS**SBendtrans-55.1124.4178.4-62.3169.41200110.1
119G39Very low35.8Very low77 Ų77129.6 Ų129.679%0.79480%0.801SS**  trans69.592.3159.300000117.2P117P117-G119 PolarHBondContact O-N 2.8Å
120A28Very low35Very low91 Ų91132.1 Ų132.175%0.75280%0.804SS**  trans-164.2100.4146.400000111.2
121C30.5Very low34.6Very low143 Ų143134.5 Ų134.597%0.96682%0.815SS**  trans-92.8100159.7-77.20000108
122T34.2Very low33.9Very low129 Ų129133.9 Ų133.979%0.79182%0.821SS**  trans-87.7123.9171.4500000110.6G124T122-G124 PolarHBondContact O-N 2.84Å
123Q30.1Very low33.6Very low200 Ų200132.2 Ų132.294%0.93582%0.822SS**  trans-72.785.2177.4-166175.638.200110.5R125Q123-R125 PolarHBondContact O-N 3.49Å
124G35Very low33.2Very low73 Ų73130 Ų13075%0.75383%0.825SS**  trans-76.6100.7173.800000111.5T122 G126T122-G124 PolarHBondContact O-N 2.84Å; G124-G126 PolarHBondContact O-N 2.84Å
125R33Very low33.1Very low242 Ų242129.5 Ų129.591%0.91382%0.822SS**  trans-64.2117.5167.7-162.7177.5-162.8-178.34.9108Q123 K127Q123-R125 PolarHBondContact O-N 3.49Å; R125-K127 PolarHBondContact O-N 3.11Å
126G34.1Very low32.5Very low75 Ų75129.3 Ų129.377%0.77382%0.824SS**  trans-56.3126.5-178.600000112.3G124G124-G126 PolarHBondContact O-N 2.84Å
127K29.1Very low32.7Very low195 Ų195131.3 Ų131.385%0.84883%0.83SS**  trans-120.4140.2149.8-82.6-167.6174.6-1720107.9R125R125-K127 PolarHBondContact O-N 3.11Å
128P35.2Very low32.6Very low123 Ų123129.2 Ų129.280%0.79983%0.828SS**PPolyproline II helixtrans-63145.4178.525.6-31.1000110.4Q130P128-Q130 PolarHBondContact O-N 3.3Å
129A32.1Very low32.5Very low102 Ų102129.1 Ų129.184%0.84383%0.827SS**PPolyproline II helixtrans-49.9118.3-17800000111.5
130Q28.6Very low32.3Very low184 Ų184130 Ų13086%0.8683%0.827SS**PPolyproline II helixtrans-95119.6153.4-78.1-177.2-6.700107P128 A132P128-Q130 PolarHBondContact O-N 3.3Å; Q130-A132 PolarHBondContact O-N 2.91Å; Q130-A132 VanDerWaalsContact O-N 3.1Å
131T36.9Very low32.4Very low152 Ų152130.3 Ų130.393%0.93383%0.83SS**  trans-56.1109.5167.1-19.30000107.7
132A27.7Very low32.6Very low87 Ų87131.6 Ų131.672%0.71983%0.826SS**  trans-12098.7168.600000107.8Q130 S134Q130-A132 PolarHBondContact O-N 2.91Å; Q130-A132 VanDerWaalsContact O-N 3.1Å; A132-S134 PolarHBondContact O-N 2.84Å
133A35.4Very low32.4Very low106 Ų106130.9 Ų130.988%0.87683%0.826SS**  trans-69115.1157.400000107.4
134S27.9Very low32.6Very low111 Ų111125.5 Ų125.578%0.77682%0.816SS**  trans-145.5105.3161.264.40000109.9A132A132-S134 PolarHBondContact O-N 2.84Å
135S29.8Very low32.5Very low113 Ų113128.9 Ų128.979%0.7982%0.816SS**  trans-68.6131.4169.249.30000111.9
136S28.2Very low32.5Very low117 Ų117123.4 Ų123.482%0.81881%0.809SS**  trans173.1158.6138.6-87.80000112.6
137P40.1Very low32.3Very low127 Ų127127.1 Ų127.183%0.82581%0.805SS**  -104152.9-12837.9-34.3000113.8
138G34.3Very low32.3Very low69 Ų69127.4 Ų127.471%0.71180%0.8SS**  trans152-3.9159.100000120.1
139H33.5Very low32.2Very low195 Ų195130.9 Ų130.990%0.90381%0.806SS**SBendtrans-132.7135.6177.6-83-86.6000112.4A141H139-A141 PolarHBondContact O-N 2.94Å
140A34.2Very low32.1Very low96 Ų96134.8 Ų134.879%0.79380%0.804SS**  trans-50128.6-177.200000111.6L142A140-L142 PolarHBondContact O-N 2.79Å
141A30.5Very low32.2Very low97 Ų97131.6 Ų131.680%0.80279%0.793SS**  trans-63.6105.817500000109.5H139 S143H139-A141 PolarHBondContact O-N 2.94Å; A141-S143 PolarHBondContact O-N 3.16Å
142L34.3Very low32.4Very low171 Ų171131.9 Ų131.990%0.89579%0.788SS**  trans-77.6101.7160.1-90.3143.9000106.9A140 A144A140-L142 PolarHBondContact O-N 2.79Å; L142-A144 PolarHBondContact O-N 3.06Å
143S29.7Very low32.8Very low113 Ų113138.8 Ų138.879%0.7981%0.811SS**  trans-61.5103.5171.6-65.40000109.3A141 L145A141-S143 PolarHBondContact O-N 3.16Å; S143-L145 PolarHBondContact O-N 2.96Å
144A35.8Very low32.6Very low87 Ų87140.5 Ų140.572%0.71981%0.808SS**  trans-76.4113.2165.700000108.3L142 V146L142-A144 PolarHBondContact O-N 3.06Å; A144-V146 PolarHBondContact O-N 3.19Å; A144-V146 VanDerWaalsContact O-N 3.11Å
145L31.9Very low32.9Very low144 Ų144142 Ų14275%0.75481%0.81SS**  trans-7299.2165.2-88.2142.8000107.9S143 F147S143-L145 PolarHBondContact O-N 2.96Å; L145-F147 HydrophobicContact CB-CD2 4.3Å; L145-F147 HydrophobicContact CB-CE2 3.83Å; L145-F147 HydrophobicContact CB-CZ 4.49Å; L145-F147 HydrophobicContact CD2-CE2 4.35Å; L145-F147 HydrophobicContact CD2-CZ 4.18Å; L145-F147 PolarHBondContact O-N 3.26Å
146V32.6Very low33.1Very low127 Ų127143.6 Ų143.677%0.7781%0.811SS**  trans-81.598.1169.2-179.50000107.1A144 R148A144-V146 PolarHBondContact O-N 3.19Å; A144-V146 VanDerWaalsContact O-N 3.11Å; V146-R148 PolarHBondContact O-N 3.13Å
147F31.1Very low33.3Very low153 Ų153145.2 Ų145.267%0.67181%0.811SS**  trans-73.3122.4167.3-71.8-84.6000108.6L145L145-F147 HydrophobicContact CB-CD2 4.3Å; L145-F147 HydrophobicContact CB-CE2 3.83Å; L145-F147 HydrophobicContact CB-CZ 4.49Å; L145-F147 HydrophobicContact CD2-CE2 4.35Å; L145-F147 HydrophobicContact CD2-CZ 4.18Å; L145-F147 PolarHBondContact O-N 3.26Å
148R29.1Very low32.9Very low202 Ų202146.3 Ų146.376%0.76281%0.81SS**  trans-82.3144.3168.1-103.5-178167-177.9-2.7108.1V146 K150 D151V146-R148 PolarHBondContact O-N 3.13Å; R148-K150 PolarHBondContact O-N 3.36Å; R148-D151 PolarHBondContact O-N 3.5Å
149E33Very low32.8Very low196 Ų196151.5 Ų151.592%0.91682%0.816SS**THydrogen-bonded Turntrans-56.7-4.9-179.6-157.2173.3123.600114.9
150K30.1Very low32.8Very low183 Ų183148.4 Ų148.480%0.79681%0.81SS**THydrogen-bonded Turntrans-89.2-10.2174.7-87.6-176.1170.9-1750114.9R148 L152R148-K150 PolarHBondContact O-N 3.36Å; K150-L152 VanDerWaalsContact C-N 3.33Å
151D30.5Very low32.7Very low117 Ų117152.4 Ų152.463%0.62681%0.811SS**SBendtrans-95.812.5-178.1-57-49.9000112.7R148R148-D151 PolarHBondContact O-N 3.5Å
152L40.1Very low32.8Very low159 Ų159157 Ų15783%0.83281%0.812SS**  trans-121.145.9-177.6-141.888.5000111.9K150K150-L152 VanDerWaalsContact C-N 3.33Å
153L35.9Very low32.7Very low232 Ų232155.7 Ų155.7100%1.21581%0.805SS**  trans-106.40168.6-103150.8000109.9

Retrieved 153 of 153 residues in 302.6 ms (Link to these results)

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