G4VIC1_SCHMA Loading...

Putative placental protein 25 (PP25)

AlphaFold DB , UniProt , Accession G4VIC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 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
1M33.5Very low57.3Low219 Ų21974.3 Ų74.3100%1.07943%0.43SS*.  01040-156.4175.9-152.400103.3
2E36.3Very low60.6Low146 Ų14670.3 Ų70.368%0.68241%0.405SS*.BIsolated β-bridgetrans-57.6136.8-170.2-60.8165.6132.700109.4V4E2-V4 PolarHBondContact O-N 2.61Å
3C44.1Very low63.3Low17 Ų1768.5 Ų68.512%0.11540%0.399CS..  trans-57.4104.6154.2-860000104.8S5 F131C3-S5 VanDerWaalsContact C-N 3.33Å; C3-S5 PolarHBondContact O-N 3.36Å; C3-S5 PolarHBondContact O-OG 2.82Å; C3-S5 VanDerWaalsContact O-OG 3.08Å; C3-F131 HydrophobicContact CB-CB 4.09Å; C3-F131 WeakPolarHBondContact CB-O 3.11Å; C3-F131 PolarHBondContact N-O 2.81Å
4V43.8Very low65.7Low87 Ų8770.9 Ų70.953%0.52740%0.402SS..  trans-48.2103-171.2179.90000106.5E2 G6E2-V4 PolarHBondContact O-N 2.61Å; V4-G6 PolarHBondContact O-N 2.86Å
5S46.6Very low67.9Low27 Ų2767.9 Ų67.919%0.18939%0.39CS..THydrogen-bonded Turntrans-73.637.6-175.2-46.40000110.6C3 K30 L130C3-S5 VanDerWaalsContact C-N 3.33Å; C3-S5 PolarHBondContact O-N 3.36Å; C3-S5 PolarHBondContact O-OG 2.82Å; C3-S5 VanDerWaalsContact O-OG 3.08Å; S5-K30 WeakPolarHBondContact O-CE 3.41Å; S5-K30 WeakPolarHBondContact O-CG 3.26Å; S5-L130 WeakPolarHBondContact OG-CD2 3.26Å
6G40Very low69.6Low25 Ų2567.1 Ų67.126%0.25839%0.387SS..THydrogen-bonded Turntrans-130.391.1171.200000105.7V4 G8V4-G6 PolarHBondContact O-N 2.86Å; G6-G8 PolarHBondContact O-N 3.44Å
7S49.2Very low71.1Confident108 Ų10863.7 Ų63.776%0.75537%0.368SS*.THydrogen-bonded Turntrans49.23.1164.457.60000118.7G9S7-G9 PolarHBondContact O-N 2.8Å
8G64.3Low72.4Confident41 Ų4169.5 Ų69.542%0.42338%0.383SS..SBendtrans-81.459.4-171.500000110.9G6 R54G6-G8 PolarHBondContact O-N 3.44Å; G8-R54 PolarHBondContact O-NH1 3.02Å; G8-R54 VanDerWaalsContact O-NH1 3.11Å; G8-R54 PolarHBondContact O-NH2 3.39Å
9G86.2Confident73.3Confident10 Ų1067.2 Ų67.210%0.10338%0.377CS..SBendtrans97.116.5176.500000116.2S7 L50 D51S7-G9 PolarHBondContact O-N 2.8Å; G9-L50 CarbonylContact O-C 3.47Å; G9-L50 VanDerWaalsContact O-CA 3.24Å; G9-L50 WeakPolarHBondContact O-CA 3.42Å; G9-D51 WeakPolarHBondContact CA-OD1 3.48Å; G9-D51 WeakPolarHBondContact CA-OD2 3.43Å; G9-D51 PolarHBondContact O-N 3.1Å
10C91.8Very high74.2Confident20 Ų2072.8 Ų72.814%0.13540%0.397CS..EExtended strand (participates in β ladder)trans-116138.8166.7-51.80000109.2L28 I48 S49 L50C10-L28 HydrophobicContact CB-CD1 4.15Å; C10-L28 HydrophobicContact CB-CD2 4.45Å; C10-I48 HydrophobicContact CB-CG2 4.29Å; C10-S49 CarbonylContact C-O 3.58Å; C10-S49 WeakPolarHBondContact CA-O 3.33Å; C10-L50 HydrophobicContact CB-CD2 4.11Å; C10-L50 WeakPolarHBondContact SG-CD2 3.2Å
11Y94.9Very high75.1Confident117 Ų11775.3 Ų75.346%0.45941%0.41SS..EExtended strand (participates in β ladder)trans-147154.9175.761.3-83.4000111.6S13 S49Y11-S13 PolarHBondContact O-N 2.73Å; Y11-S49 VanDerWaalsContact CZ-CB 3.48Å; Y11-S49 PolarHBondContact N-O 2.84Å; Y11-S49 PolarHBondContact O-N 3.13Å
12I96.3Very high78Confident27 Ų2767.9 Ų67.914%0.13837%0.373CS..EExtended strand (participates in β ladder)trans-77.9119.2171.8-53.2-56.5000108.4F14 A15 P24 E25 L28 M46 I48I12-F14 WeakPolarHBondContact CG2-O 3.39Å; I12-A15 HydrophobicContact CG2-CB 4.48Å; I12-P24 HydrophobicContact CB-CB 4.28Å; I12-P24 HydrophobicContact CG1-CB 3.97Å; I12-P24 HydrophobicContact CG2-CB 3.72Å; I12-E25 HydrophobicContact CG1-CG 4.37Å; I12-L28 HydrophobicContact CD1-CD1 3.74Å; I12-L28 HydrophobicContact CD1-CG 4Å; I12-L28 HydrophobicContact CG1-CD1 4.14Å; I12-M46 HydrophobicContact CD1-CE 4.13Å; I12-I48 HydrophobicContact CD1-CG1 3.66Å
13S96Very high80.8Confident46 Ų4661.6 Ų61.632%0.32235%0.345SS..EExtended strand (participates in β ladder)trans-96.6-20.7175.558.10000112.8Y11 V47 S49Y11-S13 PolarHBondContact O-N 2.73Å; S13-V47 PolarHBondContact N-O 3.1Å; S13-V47 WeakPolarHBondContact OG-CB 3.09Å; S13-V47 VanDerWaalsContact OG-CG1 3.25Å; S13-V47 WeakPolarHBondContact OG-CG1 3.25Å; S13-V47 PolarHBondContact OG-O 3.14Å; S13-S49 WeakPolarHBondContact CB-OG 3.38Å; S13-S49 PolarHBondContact OG-OG 2.89Å
14F97.5Very high83.3Confident102 Ų10260.9 Ų60.945%0.44734%0.34SS..EExtended strand (participates in β ladder)trans-157.7144.7178.8-176-92.2000111.2I12 T16 M45 M46 V47I12-F14 WeakPolarHBondContact CG2-O 3.39Å; F14-T16 HydrophobicContact CE1-CG2 3.93Å; F14-T16 HydrophobicContact CZ-CG2 4.46Å; F14-M45 HydrophobicContact CD1-CE 3.74Å; F14-M45 HydrophobicContact CD1-CG 4.44Å; F14-M45 HydrophobicContact CE1-CE 3.73Å; F14-M45 HydrophobicContact CE1-CG 3.98Å; F14-M45 HydrophobicContact CE1-SD 4.27Å; F14-M46 CarbonylContact O-C 3.49Å; F14-M46 VanDerWaalsContact O-CA 3.29Å; F14-M46 WeakPolarHBondContact O-CA 3.22Å; F14-V47 HydrophobicContact CB-CB 4.03Å; F14-V47 HydrophobicContact CB-CG2 3.99Å; F14-V47 HydrophobicContact CD1-CG2 4.46Å; F14-V47 PolarHBondContact O-N 3.04Å
15A97.3Very high85.8Confident27 Ų2761 Ų6122%0.22333%0.334CS..EExtended strand (participates in β ladder)trans-150147.5164.300000109.9I12 S17 P24 W36 M45 M46I12-A15 HydrophobicContact CG2-CB 4.48Å; A15-S17 PolarHBondContact O-N 2.73Å; A15-P24 HydrophobicContact CB-CB 3.79Å; A15-P24 HydrophobicContact CB-CG 3.31Å; A15-W36 HydrophobicContact CB-CZ2 4.3Å; A15-M45 CarbonylContact C-O 3.51Å; A15-M45 WeakPolarHBondContact CA-O 3.02Å; A15-M46 HydrophobicContact CB-CB 4.31Å
16T96.5Very high88.1Confident54 Ų5460.2 Ų60.233%0.33133%0.328SS..SBendtrans-73.8-14.9178.146.80000114F14 Q44 M45F14-T16 HydrophobicContact CE1-CG2 3.93Å; F14-T16 HydrophobicContact CZ-CG2 4.46Å; T16-Q44 PolarHBondContact OG1-OE1 2.94Å; T16-M45 HydrophobicContact CG2-CB 4.41Å; T16-M45 HydrophobicContact CG2-CG 3.43Å; T16-M45 VanDerWaalsContact CG2-CG 3.43Å; T16-M45 PolarHBondContact N-O 3.33Å; T16-M45 PolarHBondContact OG1-N 2.78Å; T16-M45 PolarHBondContact OG1-O 2.91Å
17S94.4Very high90.7Very high10 Ų1059.1 Ų59.17%0.0732%0.317CS..  trans-144.8150.6179.650.20000110.7A15 P24 W36 I37A15-S17 PolarHBondContact O-N 2.73Å; S17-P24 WeakPolarHBondContact O-CG 3.49Å; S17-W36 PolarHBondContact O-NE1 2.96Å; S17-W36 VanDerWaalsContact O-NE1 3.13Å; S17-W36 WeakPolarHBondContact OG-CZ2 3.43Å; S17-W36 PolarHBondContact OG-NE1 2.98Å; S17-I37 PolarHBondContact OG-O 3.13Å
18W93.7Very high92.8Very high168 Ų16855 Ų5564%0.63629%0.286SS*.  trans-140.6131.1178.1-171.296.5000109.3K20 P24W18-K20 HydrophobicContact CH2-CB 4.25Å; W18-K20 HydrophobicContact CZ3-CB 4.25Å; W18-P24 VanDerWaalsContact CD1-CD 3.49Å
19G90.6Very high94Very high26 Ų2654.3 Ų54.327%0.26827%0.273SS..  trans-137.4136.8177.400000110.6N21 H22 S23G19-N21 VanDerWaalsContact C-N 3.26Å; G19-N21 PolarHBondContact O-N 3.08Å; G19-N21 VanDerWaalsContact O-N 3.14Å; G19-H22 CarbonylContact O-C 3.53Å; G19-H22 VanDerWaalsContact O-C 3.26Å; G19-H22 PolarHBondContact O-N 3.03Å; G19-H22 VanDerWaalsContact O-N 3.08Å; G19-S23 VanDerWaalsContact O-CA 3.29Å; G19-S23 WeakPolarHBondContact O-CA 3.42Å; G19-S23 WeakPolarHBondContact O-CB 3.46Å; G19-S23 PolarHBondContact O-N 3.38Å
20K90.6Very high93.7Very high179 Ų17959.8 Ų59.878%0.77829%0.294SS*.THydrogen-bonded Turntrans-52.8-39.3-173.4-173.6-178.9178-178.60114.3W18W18-K20 HydrophobicContact CH2-CB 4.25Å; W18-K20 HydrophobicContact CZ3-CB 4.25Å
21N92.7Very high93.4Very high125 Ų12566 Ų6667%0.66831%0.314SS*.THydrogen-bonded Turntrans-95-17.3-178.1-62.7-16.7000113.1G19 N26G19-N21 VanDerWaalsContact C-N 3.26Å; G19-N21 PolarHBondContact O-N 3.08Å; G19-N21 VanDerWaalsContact O-N 3.14Å; N21-N26 PolarHBondContact O-ND2 3.11Å
22H94.7Very high93Very high64 Ų6467.9 Ų67.930%0.29633%0.332SS..SBendtrans-134.752.5-173-61.1-63.9000110.2G19 N26 F35 I37G19-H22 CarbonylContact O-C 3.53Å; G19-H22 VanDerWaalsContact O-C 3.26Å; G19-H22 PolarHBondContact O-N 3.03Å; G19-H22 VanDerWaalsContact O-N 3.08Å; H22-N26 WeakPolarHBondContact CA-ND2 3.24Å; H22-F35 CarbonylContact C-O 3.59Å; H22-F35 WeakPolarHBondContact CA-O 3.04Å; H22-F35 HydrophobicContact CB-CD2 4.46Å; H22-F35 HydrophobicContact CB-CE2 4.43Å; H22-F35 WeakPolarHBondContact CB-O 3.45Å; H22-F35 AromaticContact CE1-CE1 3.68Å; H22-F35 AromaticContact CE1-CE2 3.55Å; H22-F35 AromaticContact CE1-CZ 3.16Å; H22-F35 WeakPolarHBondContact CE1-CZ 3.47Å; H22-F35 AromaticContact CG-CE2 3.77Å; H22-F35 AromaticContact ND1-CD2 3.61Å; H22-F35 AromaticContact ND1-CE1 3.75Å; H22-F35 AromaticContact ND1-CE2 3.2Å; H22-F35 WeakPolarHBondContact ND1-CE2 3.28Å; H22-F35 AromaticContact ND1-CZ 3.29Å; H22-F35 VanDerWaalsContact ND1-CZ 3.29Å; H22-F35 WeakPolarHBondContact ND1-CZ 3.38Å; H22-F35 AromaticContact NE2-CZ 4Å; H22-I37 HydrophobicContact CB-CB 4.05Å; H22-I37 HydrophobicContact CB-CG2 3.5Å; H22-I37 VanDerWaalsContact CB-CG2 3.5Å; H22-I37 PolarHBondContact O-N 3.09Å
23S95.7Very high92.5Very high14 Ų1469.5 Ų69.510%0.09836%0.356CS..  trans-76.4157.1-173.380.50000110.9G19 E25 N26G19-S23 VanDerWaalsContact O-CA 3.29Å; G19-S23 WeakPolarHBondContact O-CA 3.42Å; G19-S23 WeakPolarHBondContact O-CB 3.46Å; G19-S23 PolarHBondContact O-N 3.38Å; S23-E25 WeakPolarHBondContact CB-OE2 3.49Å; S23-E25 PolarHBondContact O-N 2.85Å; S23-E25 VanDerWaalsContact O-N 3.16Å; S23-E25 PolarHBondContact OG-OE2 3.46Å; S23-N26 PolarHBondContact N-ND2 2.73Å; S23-N26 VanDerWaalsContact O-CB 3.28Å; S23-N26 WeakPolarHBondContact O-CB 3.3Å; S23-N26 PolarHBondContact O-N 2.8Å; S23-N26 VanDerWaalsContact O-N 3.13Å
24P96.6Very high92.5Very high2 Ų268.3 Ų68.31%0.01335%0.346CS..G310 helixtrans-52.6-34.1176.6-28.236.7000113.9I12 A15 S17 W18 N26 V27 W36 M46I12-P24 HydrophobicContact CB-CB 4.28Å; I12-P24 HydrophobicContact CG1-CB 3.97Å; I12-P24 HydrophobicContact CG2-CB 3.72Å; A15-P24 HydrophobicContact CB-CB 3.79Å; A15-P24 HydrophobicContact CB-CG 3.31Å; S17-P24 WeakPolarHBondContact O-CG 3.49Å; W18-P24 VanDerWaalsContact CD1-CD 3.49Å; P24-N26 PolarHBondContact O-N 3.24Å; P24-V27 WeakPolarHBondContact O-CB 3.34Å; P24-V27 PolarHBondContact O-N 3.37Å; P24-V27 VanDerWaalsContact O-N 3.14Å; P24-W36 HydrophobicContact CB-CG 4.46Å; P24-W36 HydrophobicContact CG-CG 4.46Å; P24-M46 HydrophobicContact CB-CE 3.95Å
25E95.2Very high92.4Very high88 Ų8865.1 Ų65.141%0.41133%0.332SS..G310 helixtrans-64.1-25.1-177.4-59.975-161.400112.6I12 S23 V27 L28I12-E25 HydrophobicContact CG1-CG 4.37Å; S23-E25 WeakPolarHBondContact CB-OE2 3.49Å; S23-E25 PolarHBondContact O-N 2.85Å; S23-E25 VanDerWaalsContact O-N 3.16Å; S23-E25 PolarHBondContact OG-OE2 3.46Å; E25-V27 PolarHBondContact O-N 2.91Å; E25-V27 VanDerWaalsContact O-N 3.1Å; E25-L28 PolarHBondContact O-N 2.9Å
26N95.6Very high92.4Very high12 Ų1263.9 Ų63.96%0.06432%0.322CS..G310 helixtrans-59-22.6175.4-72.8-17.5000112.9N21 H22 S23 P24 L28 D29 R31 F35 R128N21-N26 PolarHBondContact O-ND2 3.11Å; H22-N26 WeakPolarHBondContact CA-ND2 3.24Å; S23-N26 PolarHBondContact N-ND2 2.73Å; S23-N26 VanDerWaalsContact O-CB 3.28Å; S23-N26 WeakPolarHBondContact O-CB 3.3Å; S23-N26 PolarHBondContact O-N 2.8Å; S23-N26 VanDerWaalsContact O-N 3.13Å; P24-N26 PolarHBondContact O-N 3.24Å; N26-L28 PolarHBondContact O-N 3.2Å; N26-D29 PolarHBondContact O-N 3.01Å; N26-R31 PolarHBondContact OD1-NH2 2.93Å; N26-F35 PolarHBondContact ND2-O 2.83Å; N26-R128 PolarHBondContact O-NH1 2.97Å; N26-R128 VanDerWaalsContact O-NH1 3.09Å
27V95.7Very high92.4Very high1 Ų164.2 Ų64.21%0.00632%0.321CS..G310 helixtrans-66.3-26.3177.2173.60000112.6P24 E25 W36 M46 I48 V126 V129P24-V27 WeakPolarHBondContact O-CB 3.34Å; P24-V27 PolarHBondContact O-N 3.37Å; P24-V27 VanDerWaalsContact O-N 3.14Å; E25-V27 PolarHBondContact O-N 2.91Å; E25-V27 VanDerWaalsContact O-N 3.1Å; V27-W36 HydrophobicContact CG2-CB 3.61Å; V27-M46 HydrophobicContact CB-CE 4.23Å; V27-M46 HydrophobicContact CG1-SD 4.28Å; V27-M46 HydrophobicContact CG2-CE 3.73Å; V27-M46 HydrophobicContact CG2-SD 4.07Å; V27-I48 HydrophobicContact CG1-CD1 4.48Å; V27-V126 HydrophobicContact CG1-CG1 3.99Å; V27-V126 HydrophobicContact CG2-CB 3.97Å; V27-V126 HydrophobicContact CG2-CG1 3.82Å; V27-V126 WeakPolarHBondContact CG2-O 3.45Å; V27-V129 HydrophobicContact CG1-CB 3.7Å; V27-V129 HydrophobicContact CG1-CG2 3.4Å; V27-V129 PolarHBondContact O-N 3.15Å
28L93.4Very high92.4Very high22 Ų2263.9 Ų63.912%0.11532%0.319CS..G310 helixtrans-104.1-0.9-176.8-59.5179.2000113.2C10 I12 E25 N26 I48C10-L28 HydrophobicContact CB-CD1 4.15Å; C10-L28 HydrophobicContact CB-CD2 4.45Å; I12-L28 HydrophobicContact CD1-CD1 3.74Å; I12-L28 HydrophobicContact CD1-CG 4Å; I12-L28 HydrophobicContact CG1-CD1 4.14Å; E25-L28 PolarHBondContact O-N 2.9Å; N26-L28 PolarHBondContact O-N 3.2Å; L28-I48 HydrophobicContact CD1-CG2 4.18Å; L28-I48 HydrophobicContact CD2-CD1 4.14Å; L28-I48 HydrophobicContact CD2-CG1 4.27Å; L28-I48 HydrophobicContact CD2-CG2 4.01Å
29D87.6Confident92.1Very high27 Ų2760.3 Ų60.314%0.14432%0.315CS..SBendtrans-86163.5176.584.429.9000111.8N26 R31 T34 R128N26-D29 PolarHBondContact O-N 3.01Å; D29-R31 WeakPolarHBondContact OD1-CB 3.47Å; D29-R31 PolarHBondContact OD1-N 2.82Å; D29-R31 IonicContact OD2-CZ 3.25Å; D29-R31 VanDerWaalsContact OD2-CZ 3.25Å; D29-R31 IonicContact OD2-NE 2.91Å; D29-R31 PolarHBondContact OD2-NE 3.3Å; D29-R31 IonicContact OD2-NH2 2.73Å; D29-R31 PolarHBondContact OD2-NH2 3.46Å; D29-T34 VanDerWaalsContact CG-OG1 3.25Å; D29-T34 PolarHBondContact OD1-OG1 3.21Å; D29-T34 PolarHBondContact OD2-OG1 2.86Å; D29-R128 PolarHBondContact O-NE 2.91Å; D29-R128 VanDerWaalsContact O-NE 3.13Å; D29-R128 IonicContact OD1-CZ 3.66Å; D29-R128 IonicContact OD1-NH1 3.63Å; D29-R128 IonicContact OD1-NH2 3.51Å
30K81Confident91.7Very high125 Ų12559.3 Ų59.354%0.54331%0.306SS..  trans-96.811.8178.5-58.6-169.3177.3-172.40113.4S5S5-K30 WeakPolarHBondContact O-CE 3.41Å; S5-K30 WeakPolarHBondContact O-CG 3.26Å
31R86.1Confident91.7Very high149 Ų14958.5 Ų58.556%0.56231%0.309SS*.  trans-96110.7-168.3-63.8-179.9-62.6173.11.3111.2N26 D29 G33 T34 R128N26-R31 PolarHBondContact OD1-NH2 2.93Å; D29-R31 WeakPolarHBondContact OD1-CB 3.47Å; D29-R31 PolarHBondContact OD1-N 2.82Å; D29-R31 IonicContact OD2-CZ 3.25Å; D29-R31 VanDerWaalsContact OD2-CZ 3.25Å; D29-R31 IonicContact OD2-NE 2.91Å; D29-R31 PolarHBondContact OD2-NE 3.3Å; D29-R31 IonicContact OD2-NH2 2.73Å; D29-R31 PolarHBondContact OD2-NH2 3.46Å; R31-G33 PolarHBondContact O-N 3.26Å; R31-T34 HydrophobicContact CB-CG2 3.81Å; R31-T34 WeakPolarHBondContact O-CG2 3.35Å; R31-T34 PolarHBondContact O-N 2.82Å; R31-T34 PolarHBondContact O-OG1 3.5Å; R31-R128 PolarHBondContact O-NH2 2.98Å
32D85.6Confident91.8Very high157 Ų15755.6 Ų55.684%0.8429%0.29SS*.THydrogen-bonded Turntrans-52.9141.8179.7-62.4-30000112.5T34D32-T34 VanDerWaalsContact C-N 3.33Å; D32-T34 PolarHBondContact O-N 3.46Å
33G87Confident91.9Very high61 Ų6156.5 Ų56.563%0.62930%0.302SS*.THydrogen-bonded Turntrans84.2-6.5-179.300000115.9R31 F35R31-G33 PolarHBondContact O-N 3.26Å; G33-F35 WeakPolarHBondContact O-CD1 3.41Å
34T94.3Very high92Very high21 Ų2156.5 Ų56.513%0.12930%0.3CS..  trans-84.3145.8170.366.90000110.9D29 R31 D32 R128D29-T34 VanDerWaalsContact CG-OG1 3.25Å; D29-T34 PolarHBondContact OD1-OG1 3.21Å; D29-T34 PolarHBondContact OD2-OG1 2.86Å; R31-T34 HydrophobicContact CB-CG2 3.81Å; R31-T34 WeakPolarHBondContact O-CG2 3.35Å; R31-T34 PolarHBondContact O-N 2.82Å; R31-T34 PolarHBondContact O-OG1 3.5Å; D32-T34 VanDerWaalsContact C-N 3.33Å; D32-T34 PolarHBondContact O-N 3.46Å; T34-R128 PolarHBondContact O-NH1 3.01Å; T34-R128 PolarHBondContact OG1-NH1 3.26Å; T34-R128 PolarHBondContact OG1-NH2 3.29Å
35F96.1Very high92Very high35 Ų3558.5 Ų58.515%0.15431%0.31CS..  trans-160.4162.2176.752.7-89.9000110.6H22 N26 G33 I37 A125 V126 Y127H22-F35 CarbonylContact C-O 3.59Å; H22-F35 WeakPolarHBondContact CA-O 3.04Å; H22-F35 HydrophobicContact CB-CD2 4.46Å; H22-F35 HydrophobicContact CB-CE2 4.43Å; H22-F35 WeakPolarHBondContact CB-O 3.45Å; H22-F35 AromaticContact CE1-CE1 3.68Å; H22-F35 AromaticContact CE1-CE2 3.55Å; H22-F35 AromaticContact CE1-CZ 3.16Å; H22-F35 WeakPolarHBondContact CE1-CZ 3.47Å; H22-F35 AromaticContact CG-CE2 3.77Å; H22-F35 AromaticContact ND1-CD2 3.61Å; H22-F35 AromaticContact ND1-CE1 3.75Å; H22-F35 AromaticContact ND1-CE2 3.2Å; H22-F35 WeakPolarHBondContact ND1-CE2 3.28Å; H22-F35 AromaticContact ND1-CZ 3.29Å; H22-F35 VanDerWaalsContact ND1-CZ 3.29Å; H22-F35 WeakPolarHBondContact ND1-CZ 3.38Å; H22-F35 AromaticContact NE2-CZ 4Å; N26-F35 PolarHBondContact ND2-O 2.83Å; G33-F35 WeakPolarHBondContact O-CD1 3.41Å; F35-I37 HydrophobicContact CD2-CB 4.23Å; F35-I37 HydrophobicContact CE2-CB 4.11Å; F35-I37 HydrophobicContact CE2-CD1 4.37Å; F35-A125 HydrophobicContact CB-CB 4.45Å; F35-A125 HydrophobicContact CD2-CB 3.72Å; F35-A125 HydrophobicContact CE2-CB 4.25Å; F35-A125 HydrophobicContact CG-CB 4.26Å; F35-V126 WeakPolarHBondContact CA-O 3.41Å; F35-V126 WeakPolarHBondContact CB-O 3.35Å; F35-Y127 HydrophobicContact CB-CD1 3.79Å; F35-Y127 HydrophobicContact CB-CD2 4.33Å; F35-Y127 HydrophobicContact CB-CE1 4.05Å; F35-Y127 HydrophobicContact CB-CG 3.95Å; F35-Y127 HydrophobicContact CD1-CD1 4.03Å; F35-Y127 AromaticContact CD1-CE1 3.52Å; F35-Y127 HydrophobicContact CD1-CE1 3.52Å; F35-Y127 AromaticContact CD1-CZ 3.97Å; F35-Y127 HydrophobicContact CE1-CE1 4.22Å; F35-Y127 HydrophobicContact CG-CD1 4.26Å; F35-Y127 AromaticContact CG-CE1 4Å; F35-Y127 HydrophobicContact CG-CE1 4Å
36W96.8Very high92.1Very high1 Ų154.3 Ų54.30%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-89136.3163173.650.8000109.6A15 S17 P24 V27 T38 M46 I116 A125 V126A15-W36 HydrophobicContact CB-CZ2 4.3Å; S17-W36 PolarHBondContact O-NE1 2.96Å; S17-W36 VanDerWaalsContact O-NE1 3.13Å; S17-W36 WeakPolarHBondContact OG-CZ2 3.43Å; S17-W36 PolarHBondContact OG-NE1 2.98Å; P24-W36 HydrophobicContact CB-CG 4.46Å; P24-W36 HydrophobicContact CG-CG 4.46Å; V27-W36 HydrophobicContact CG2-CB 3.61Å; W36-T38 HydrophobicContact CH2-CG2 4.02Å; W36-T38 HydrophobicContact CZ2-CG2 4.13Å; W36-T38 HydrophobicContact CZ3-CG2 4.37Å; W36-M46 HydrophobicContact CB-CE 4.26Å; W36-M46 HydrophobicContact CD2-CE 3.68Å; W36-M46 HydrophobicContact CD2-SD 4.42Å; W36-M46 HydrophobicContact CE3-CB 4.37Å; W36-M46 HydrophobicContact CE3-CE 3.41Å; W36-M46 VanDerWaalsContact CE3-CE 3.41Å; W36-M46 HydrophobicContact CE3-CG 4.2Å; W36-M46 HydrophobicContact CE3-SD 3.55Å; W36-M46 VanDerWaalsContact CE3-SD 3.55Å; W36-M46 HydrophobicContact CG-CE 4.06Å; W36-M46 HydrophobicContact CH2-CB 4.05Å; W36-M46 HydrophobicContact CH2-CG 4.41Å; W36-M46 HydrophobicContact CZ3-CB 3.91Å; W36-M46 HydrophobicContact CZ3-CE 4Å; W36-M46 HydrophobicContact CZ3-CG 3.8Å; W36-M46 HydrophobicContact CZ3-SD 3.76Å; W36-I116 HydrophobicContact CZ3-CD1 4.18Å; W36-A125 CarbonylContact O-C 3.59Å; W36-A125 VanDerWaalsContact O-CA 3.24Å; W36-A125 WeakPolarHBondContact O-CA 3.47Å; W36-V126 HydrophobicContact CE3-CB 4Å; W36-V126 HydrophobicContact CE3-CG2 3.67Å; W36-V126 HydrophobicContact CZ3-CG2 3.96Å; W36-V126 PolarHBondContact N-O 2.62Å; W36-V126 PolarHBondContact O-N 3.47Å
37I96.1Very high92.3Very high62 Ų6254 Ų5432%0.31829%0.289SS..EExtended strand (participates in β ladder)trans-117.9139.8174.4-161.1173.4000110.5S17 H22 F35 F123S17-I37 PolarHBondContact OG-O 3.13Å; H22-I37 HydrophobicContact CB-CB 4.05Å; H22-I37 HydrophobicContact CB-CG2 3.5Å; H22-I37 VanDerWaalsContact CB-CG2 3.5Å; H22-I37 PolarHBondContact O-N 3.09Å; F35-I37 HydrophobicContact CD2-CB 4.23Å; F35-I37 HydrophobicContact CE2-CB 4.11Å; F35-I37 HydrophobicContact CE2-CD1 4.37Å; I37-F123 HydrophobicContact CD1-CB 4.3Å; I37-F123 HydrophobicContact CG1-CB 4.36Å
38T94.6Very high92.3Very high3 Ų354 Ų542%0.01829%0.289CS..  trans-81163.3174.168.50000112.1W36 Q44 I116 F123 V124W36-T38 HydrophobicContact CH2-CG2 4.02Å; W36-T38 HydrophobicContact CZ2-CG2 4.13Å; W36-T38 HydrophobicContact CZ3-CG2 4.37Å; T38-Q44 HydrophobicContact CG2-CB 3.64Å; T38-Q44 HydrophobicContact CG2-CG 3.83Å; T38-I116 HydrophobicContact CG2-CD1 4.22Å; T38-F123 WeakPolarHBondContact O-CD1 3.45Å; T38-V124 HydrophobicContact CG2-CG2 3.71Å; T38-V124 PolarHBondContact N-O 2.74Å; T38-V124 PolarHBondContact OG1-N 3.49Å
39T87.4Confident92.5Very high92 Ų9253 Ų5356%0.56428%0.284SS*.  trans-98.616.9178.952.70000113.8F123T39-F123 WeakPolarHBondContact O-CE1 3.23Å
40G82.9Confident92.8Very high6 Ų652 Ų526%0.06228%0.278CS..SBendtrans77.7-177.3-170.300000113.3Q44 H122G40-Q44 PolarHBondContact O-NE2 2.69Å; G40-H122 VanDerWaalsContact CA-O 3.23Å; G40-H122 WeakPolarHBondContact CA-O 3.44Å
41L89.9Confident93.3Very high161 Ų16150 Ų5084%0.84327%0.273SS*.SBendtrans56.886.6-175.6-58.5174.7000113.5Q44L41-Q44 PolarHBondContact O-NE2 3.36Å
42F95.8Very high93.6Very high64 Ų6448.9 Ų48.928%0.28128%0.275SS..SBendtrans-71.5150.5176.5-57.5-74.2000112.1Q44 I116 L117 G119 V124F42-Q44 HydrophobicContact CD1-CG 4.23Å; F42-I116 HydrophobicContact CD1-CG2 3.82Å; F42-I116 HydrophobicContact CE1-CG2 3.63Å; F42-L117 WeakPolarHBondContact CB-O 3.43Å; F42-G119 VanDerWaalsContact CE2-N 3.33Å; F42-G119 VanDerWaalsContact CZ-N 3.28Å; F42-V124 HydrophobicContact CE1-CG1 4.22Å; F42-V124 HydrophobicContact CE1-CG2 4.08Å; F42-V124 HydrophobicContact CZ-CG1 3.94Å
43P97.1Very high93.9Very high83 Ų8344.4 Ų44.454%0.53925%0.254SS..  cis-79.6149.6532.4-35.6000113.8I116 L117P43-I116 CarbonylContact C-O 3.26Å; P43-I116 VanDerWaalsContact CA-O 3.23Å; P43-I116 WeakPolarHBondContact CA-O 3.39Å; P43-L117 HydrophobicContact CB-CD2 4.15Å
44Q97.3Very high94.2Very high14 Ų1444.3 Ų44.37%0.06524%0.235CC..EExtended strand (participates in β ladder)trans-116.5147171.1-66.9-73.5-46.700108.3T16 T38 G40 L41 F42 I116T16-Q44 PolarHBondContact OG1-OE1 2.94Å; T38-Q44 HydrophobicContact CG2-CB 3.64Å; T38-Q44 HydrophobicContact CG2-CG 3.83Å; G40-Q44 PolarHBondContact O-NE2 2.69Å; L41-Q44 PolarHBondContact O-NE2 3.36Å; F42-Q44 HydrophobicContact CD1-CG 4.23Å; Q44-I116 HydrophobicContact CB-CB 4.39Å; Q44-I116 PolarHBondContact N-O 2.77Å; Q44-I116 PolarHBondContact O-N 2.79Å
45M97Very high94.2Very high44 Ų4449 Ų4922%0.21725%0.254CS..EExtended strand (participates in β ladder)trans-150154.4-177.858.2177.3-88.300113.6F14 A15 T16 V47 R113 L114 K115F14-M45 HydrophobicContact CD1-CE 3.74Å; F14-M45 HydrophobicContact CD1-CG 4.44Å; F14-M45 HydrophobicContact CE1-CE 3.73Å; F14-M45 HydrophobicContact CE1-CG 3.98Å; F14-M45 HydrophobicContact CE1-SD 4.27Å; A15-M45 CarbonylContact C-O 3.51Å; A15-M45 WeakPolarHBondContact CA-O 3.02Å; T16-M45 HydrophobicContact CG2-CB 4.41Å; T16-M45 HydrophobicContact CG2-CG 3.43Å; T16-M45 VanDerWaalsContact CG2-CG 3.43Å; T16-M45 PolarHBondContact N-O 3.33Å; T16-M45 PolarHBondContact OG1-N 2.78Å; T16-M45 PolarHBondContact OG1-O 2.91Å; M45-V47 HydrophobicContact CE-CG2 4.13Å; M45-R113 VanDerWaalsContact CE-CD 3.48Å; M45-R113 HydrophobicContact CE-CG 4.01Å; M45-L114 CarbonylContact C-O 3.56Å; M45-L114 WeakPolarHBondContact CA-O 3.46Å; M45-L114 VanDerWaalsContact CB-O 3.23Å; M45-L114 WeakPolarHBondContact CB-O 3.27Å; M45-K115 HydrophobicContact CB-CG 3.94Å; M45-K115 HydrophobicContact SD-CG 4.5Å
46M97.6Very high94Very high0 Ų047.4 Ų47.40%025%0.247CC..EExtended strand (participates in β ladder)trans-136.1149.616966.3179.8-7.300110.9I12 F14 A15 P24 V27 W36 R113 L114 V126I12-M46 HydrophobicContact CD1-CE 4.13Å; F14-M46 CarbonylContact O-C 3.49Å; F14-M46 VanDerWaalsContact O-CA 3.29Å; F14-M46 WeakPolarHBondContact O-CA 3.22Å; A15-M46 HydrophobicContact CB-CB 4.31Å; P24-M46 HydrophobicContact CB-CE 3.95Å; V27-M46 HydrophobicContact CB-CE 4.23Å; V27-M46 HydrophobicContact CG1-SD 4.28Å; V27-M46 HydrophobicContact CG2-CE 3.73Å; V27-M46 HydrophobicContact CG2-SD 4.07Å; W36-M46 HydrophobicContact CB-CE 4.26Å; W36-M46 HydrophobicContact CD2-CE 3.68Å; W36-M46 HydrophobicContact CD2-SD 4.42Å; W36-M46 HydrophobicContact CE3-CB 4.37Å; W36-M46 HydrophobicContact CE3-CE 3.41Å; W36-M46 VanDerWaalsContact CE3-CE 3.41Å; W36-M46 HydrophobicContact CE3-CG 4.2Å; W36-M46 HydrophobicContact CE3-SD 3.55Å; W36-M46 VanDerWaalsContact CE3-SD 3.55Å; W36-M46 HydrophobicContact CG-CE 4.06Å; W36-M46 HydrophobicContact CH2-CB 4.05Å; W36-M46 HydrophobicContact CH2-CG 4.41Å; W36-M46 HydrophobicContact CZ3-CB 3.91Å; W36-M46 HydrophobicContact CZ3-CE 4Å; W36-M46 HydrophobicContact CZ3-CG 3.8Å; W36-M46 HydrophobicContact CZ3-SD 3.76Å; M46-R113 WeakPolarHBondContact O-CA 3.44Å; M46-L114 HydrophobicContact CG-CB 4.04Å; M46-L114 HydrophobicContact CG-CD1 4.37Å; M46-L114 HydrophobicContact CG-CG 4.42Å; M46-L114 PolarHBondContact N-O 2.85Å; M46-L114 PolarHBondContact O-N 3.36Å; M46-L114 HydrophobicContact SD-CD1 4.32Å; M46-V126 HydrophobicContact SD-CG1 4.34Å
47V98.1Very high93.9Very high5 Ų549 Ų493%0.0326%0.258CS..EExtended strand (participates in β ladder)trans-119.1123.2174.4-175.30000108.4S13 F14 M45 P79 F82 H111 I112 R113S13-V47 PolarHBondContact N-O 3.1Å; S13-V47 WeakPolarHBondContact OG-CB 3.09Å; S13-V47 VanDerWaalsContact OG-CG1 3.25Å; S13-V47 WeakPolarHBondContact OG-CG1 3.25Å; S13-V47 PolarHBondContact OG-O 3.14Å; F14-V47 HydrophobicContact CB-CB 4.03Å; F14-V47 HydrophobicContact CB-CG2 3.99Å; F14-V47 HydrophobicContact CD1-CG2 4.46Å; F14-V47 PolarHBondContact O-N 3.04Å; M45-V47 HydrophobicContact CE-CG2 4.13Å; V47-P79 HydrophobicContact CG1-CB 4.26Å; V47-F82 HydrophobicContact CG1-CE1 4.38Å; V47-F82 HydrophobicContact CG1-CZ 3.88Å; V47-F82 HydrophobicContact CG2-CZ 4.32Å; V47-H111 HydrophobicContact CG1-CB 4.27Å; V47-I112 CarbonylContact C-O 3.49Å; V47-I112 VanDerWaalsContact CA-O 3.31Å; V47-I112 WeakPolarHBondContact CA-O 3.33Å; V47-R113 HydrophobicContact CG2-CB 4.11Å; V47-R113 HydrophobicContact CG2-CG 3.82Å
48I97.3Very high93.8Very high1 Ų149 Ų491%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-101.1127.2169.5-59.3153.8000106.9C10 I12 V27 L28 H111 I112 V129 F131C10-I48 HydrophobicContact CB-CG2 4.29Å; I12-I48 HydrophobicContact CD1-CG1 3.66Å; V27-I48 HydrophobicContact CG1-CD1 4.48Å; L28-I48 HydrophobicContact CD1-CG2 4.18Å; L28-I48 HydrophobicContact CD2-CD1 4.14Å; L28-I48 HydrophobicContact CD2-CG1 4.27Å; L28-I48 HydrophobicContact CD2-CG2 4.01Å; I48-H111 WeakPolarHBondContact O-CA 3.28Å; I48-I112 HydrophobicContact CB-CG2 3.68Å; I48-I112 HydrophobicContact CD1-CG2 4.16Å; I48-I112 HydrophobicContact CG1-CG2 4.43Å; I48-I112 HydrophobicContact CG2-CG2 4.43Å; I48-I112 PolarHBondContact N-O 3.24Å; I48-I112 PolarHBondContact O-N 2.79Å; I48-V129 HydrophobicContact CD1-CB 3.59Å; I48-V129 HydrophobicContact CD1-CG1 3.54Å; I48-V129 HydrophobicContact CD1-CG2 3.83Å; I48-F131 HydrophobicContact CB-CZ 4.19Å; I48-F131 HydrophobicContact CD1-CE2 4.4Å; I48-F131 HydrophobicContact CD1-CZ 4.16Å; I48-F131 HydrophobicContact CG2-CE2 3.96Å; I48-F131 HydrophobicContact CG2-CZ 3.75Å
49S96.4Very high93.9Very high1 Ų148.8 Ų48.81%0.00726%0.256CS..EExtended strand (participates in β ladder)trans-110.2145.4177.8-63.40000110.5C10 Y11 S13 H110 H111C10-S49 CarbonylContact C-O 3.58Å; C10-S49 WeakPolarHBondContact CA-O 3.33Å; Y11-S49 VanDerWaalsContact CZ-CB 3.48Å; Y11-S49 PolarHBondContact N-O 2.84Å; Y11-S49 PolarHBondContact O-N 3.13Å; S13-S49 WeakPolarHBondContact CB-OG 3.38Å; S13-S49 PolarHBondContact OG-OG 2.89Å; S49-H110 CarbonylContact C-O 3.52Å; S49-H110 WeakPolarHBondContact CA-O 3.5Å; S49-H111 WeakPolarHBondContact CB-ND1 3.36Å; S49-H111 PolarHBondContact OG-CE1 3.39Å; S49-H111 PolarHBondContact OG-ND1 3.05Å
50L94.1Very high94.3Very high7 Ų747.7 Ų47.74%0.03724%0.243CC..EExtended strand (participates in β ladder)trans-98.7139.2171.7-51.5-174.3000109G9 C10 Q52 R54 L109 H110G9-L50 CarbonylContact O-C 3.47Å; G9-L50 VanDerWaalsContact O-CA 3.24Å; G9-L50 WeakPolarHBondContact O-CA 3.42Å; C10-L50 HydrophobicContact CB-CD2 4.11Å; C10-L50 WeakPolarHBondContact SG-CD2 3.2Å; L50-Q52 VanDerWaalsContact CB-O 3.26Å; L50-Q52 WeakPolarHBondContact CB-O 3.4Å; L50-Q52 PolarHBondContact O-N 3.37Å; L50-R54 HydrophobicContact CD1-CB 3.9Å; L50-R54 HydrophobicContact CD1-CG 4.1Å; L50-L109 HydrophobicContact CD1-CB 4.45Å; L50-L109 HydrophobicContact CD1-CD2 4.37Å; L50-L109 HydrophobicContact CD1-CG 4.34Å; L50-L109 WeakPolarHBondContact CD1-O 3.42Å; L50-H110 PolarHBondContact N-O 3.21Å
51D92.6Very high94.9Very high82 Ų8247.4 Ų47.444%0.43924%0.24SC..EExtended strand (participates in β ladder)trans-62.3-30.2177.663.3-16.5000113G9 R54G9-D51 WeakPolarHBondContact CA-OD1 3.48Å; G9-D51 WeakPolarHBondContact CA-OD2 3.43Å; G9-D51 PolarHBondContact O-N 3.1Å; D51-R54 IonicContact OD1-CZ 3.62Å; D51-R54 IonicContact OD1-NE 3.68Å; D51-R54 IonicContact OD1-NH2 2.82Å; D51-R54 PolarHBondContact OD1-NH2 2.77Å; D51-R54 IonicContact OD2-NH2 3.66Å
52Q92.1Very high95.2Very high127 Ų12740.5 Ų40.559%0.59321%0.205SC*.EExtended strand (participates in β ladder)trans-138.1153.9176.9-63.9-172.54.200109.1L50 R54L50-Q52 VanDerWaalsContact CB-O 3.26Å; L50-Q52 WeakPolarHBondContact CB-O 3.4Å; L50-Q52 PolarHBondContact O-N 3.37Å; Q52-R54 WeakPolarHBondContact O-CG 3.02Å; Q52-R54 PolarHBondContact O-N 3Å
53P92.1Very high95.2Very high63 Ų6337.6 Ų37.641%0.40919%0.192SC..EExtended strand (participates in β ladder)trans-61.9132.3174.221.4-25.7000109.9H108 L109 H110P53-H108 HydrophobicContact CB-CB 4.39Å; P53-L109 WeakPolarHBondContact CA-O 3.48Å; P53-H110 WeakPolarHBondContact CB-NE2 3.34Å; P53-H110 VanDerWaalsContact CD-CE1 3.41Å; P53-H110 WeakPolarHBondContact CD-CE1 3.1Å; P53-H110 WeakPolarHBondContact CD-NE2 3.11Å; P53-H110 WeakPolarHBondContact CG-NE2 3.23Å
54R92.4Very high95.2Very high58 Ų5834.6 Ų34.622%0.21917%0.173CC..EExtended strand (participates in β ladder)trans-128151.7177.8-58.9-174.8-171.5-169-0.3111.3G8 L50 D51 Q52 V56 L109G8-R54 PolarHBondContact O-NH1 3.02Å; G8-R54 VanDerWaalsContact O-NH1 3.11Å; G8-R54 PolarHBondContact O-NH2 3.39Å; L50-R54 HydrophobicContact CD1-CB 3.9Å; L50-R54 HydrophobicContact CD1-CG 4.1Å; D51-R54 IonicContact OD1-CZ 3.62Å; D51-R54 IonicContact OD1-NE 3.68Å; D51-R54 IonicContact OD1-NH2 2.82Å; D51-R54 PolarHBondContact OD1-NH2 2.77Å; D51-R54 IonicContact OD2-NH2 3.66Å; Q52-R54 WeakPolarHBondContact O-CG 3.02Å; Q52-R54 PolarHBondContact O-N 3Å; R54-V56 PolarHBondContact O-N 3.26Å; R54-L109 PolarHBondContact N-O 3.44Å; R54-L109 WeakPolarHBondContact O-CB 2.91Å; R54-L109 PolarHBondContact O-N 3.21Å
55K93.4Very high95.1Very high120 Ų12036.4 Ų36.452%0.52218%0.181SC..EExtended strand (participates in β ladder)trans-80.3120.5169.2175.5178.3-179.5174.80108.8D106 G133 K134K55-D106 CarbonylContact C-O 3.58Å; K55-D106 VanDerWaalsContact CA-O 3.28Å; K55-D106 WeakPolarHBondContact CA-O 3.36Å; K55-G133 CarbonylContact O-C 3.58Å; K55-G133 WeakPolarHBondContact O-CA 3.33Å; K55-K134 WeakPolarHBondContact CB-O 3.2Å; K55-K134 PolarHBondContact O-N 3.09Å; K55-K134 VanDerWaalsContact O-N 3.1Å
56V93.5Very high95.1Very high1 Ų134.3 Ų34.31%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-119.7114.1179176.10000109.1R54 Q58 V59 I104 N105 D106 L109 F131 D132R54-V56 PolarHBondContact O-N 3.26Å; V56-Q58 WeakPolarHBondContact CG1-O 3.29Å; V56-V59 HydrophobicContact CG1-CG2 3.8Å; V56-I104 HydrophobicContact CG1-CB 4.32Å; V56-I104 HydrophobicContact CG1-CG1 4.48Å; V56-N105 WeakPolarHBondContact O-CA 3.14Å; V56-N105 PolarHBondContact O-N 2.78Å; V56-N105 VanDerWaalsContact O-N 3.14Å; V56-D106 PolarHBondContact N-O 2.92Å; V56-D106 PolarHBondContact O-N 2.88Å; V56-L109 HydrophobicContact CB-CD2 3.87Å; V56-L109 HydrophobicContact CG1-CD2 4.21Å; V56-L109 HydrophobicContact CG2-CB 4.24Å; V56-L109 HydrophobicContact CG2-CD2 3.65Å; V56-F131 HydrophobicContact CG1-CB 4.44Å; V56-F131 HydrophobicContact CG1-CD1 4.1Å; V56-F131 HydrophobicContact CG2-CD1 4.23Å; V56-D132 CarbonylContact C-O 3.48Å; V56-D132 WeakPolarHBondContact CA-O 3.21Å; V56-D132 WeakPolarHBondContact CG1-O 3.47Å
57S94.4Very high95.1Very high35 Ų3538.6 Ų38.625%0.24519%0.189CC..EExtended strand (participates in β ladder)trans-76.1-45174.941.70000110.9P103 I104 N105 D132S57-P103 CarbonylContact O-C 3.5Å; S57-P103 WeakPolarHBondContact O-CA 3.4Å; S57-I104 PolarHBondContact O-N 3.12Å; S57-N105 PolarHBondContact O-N 2.83Å; S57-N105 VanDerWaalsContact O-N 3.09Å; S57-D132 PolarHBondContact N-O 3.03Å; S57-D132 PolarHBondContact OG-O 2.94Å; S57-D132 PolarHBondContact OG-OD2 2.91Å
58Q94.7Very high95.1Very high61 Ų6139.1 Ų39.129%0.28519%0.194SC..EExtended strand (participates in β ladder)trans-145.1148.8-171.8174.5172.5-48.600111.3V56 E101 L102 D132V56-Q58 WeakPolarHBondContact CG1-O 3.29Å; Q58-E101 PolarHBondContact NE2-OE2 2.74Å; Q58-L102 CarbonylContact C-O 3.49Å; Q58-L102 VanDerWaalsContact CA-O 3.31Å; Q58-L102 WeakPolarHBondContact CA-O 3.4Å; Q58-D132 HydrophobicContact CB-CB 4.23Å; Q58-D132 PolarHBondContact N-O 2.78Å; Q58-D132 PolarHBondContact O-N 2.72Å
59V94.8Very high95.1Very high0 Ų039.2 Ų39.20%020%0.195CC..EExtended strand (participates in β ladder)trans-120.1133.1167.7173.30000109.2V56 I61 L102 I104 I112 V129 L130 F131V56-V59 HydrophobicContact CG1-CG2 3.8Å; V59-I61 HydrophobicContact CG1-CD1 4.3Å; V59-I61 HydrophobicContact CG1-CG1 3.77Å; V59-L102 PolarHBondContact N-O 2.88Å; V59-L102 PolarHBondContact O-N 2.86Å; V59-I104 HydrophobicContact CB-CD1 4.5Å; V59-I104 HydrophobicContact CB-CG1 4Å; V59-I104 HydrophobicContact CG2-CD1 4.41Å; V59-I104 HydrophobicContact CG2-CG1 3.59Å; V59-I112 HydrophobicContact CB-CD1 4.31Å; V59-I112 HydrophobicContact CG1-CD1 4.03Å; V59-I112 HydrophobicContact CG2-CD1 3.87Å; V59-V129 HydrophobicContact CG1-CG1 3.76Å; V59-L130 CarbonylContact C-O 3.57Å; V59-L130 VanDerWaalsContact CA-O 3.31Å; V59-L130 WeakPolarHBondContact CA-O 3.43Å; V59-F131 HydrophobicContact CG2-CD1 3.62Å; V59-F131 HydrophobicContact CG2-CE1 3.97Å; V59-F131 HydrophobicContact CG2-CG 4.41Å
60K96Very high95.2Very high69 Ų6939.5 Ų39.530%0.320%0.196SC..EExtended strand (participates in β ladder)trans-109.3124.4172.7176173.5-177164.90109.4I99 T100 E101 V129 L130K60-I99 HydrophobicContact CD-CG2 4.39Å; K60-I99 VanDerWaalsContact CE-CG2 3.48Å; K60-I99 HydrophobicContact CG-CG2 4.26Å; K60-T100 CarbonylContact C-O 3.56Å; K60-T100 WeakPolarHBondContact CA-O 3.46Å; K60-E101 HydrophobicContact CB-CG 4.18Å; K60-E101 HydrophobicContact CD-CG 4.25Å; K60-E101 HydrophobicContact CG-CG 4Å; K60-E101 IonicContact NZ-OE1 3.46Å; K60-E101 PolarHBondContact NZ-OE1 3.4Å; K60-V129 CarbonylContact O-C 3.59Å; K60-V129 WeakPolarHBondContact O-CA 3.44Å; K60-L130 HydrophobicContact CB-CB 4.25Å; K60-L130 HydrophobicContact CD-CD1 4.2Å; K60-L130 PolarHBondContact N-O 3.1Å; K60-L130 PolarHBondContact O-N 2.68Å
61I96.4Very high95.4Very high0 Ų039.2 Ų39.20%020%0.195CC..EExtended strand (participates in β ladder)trans-118.1125.8-176.9-48.7175.8000107.9V59 T63 L69 V71 T100 L102 L114 V126 R128 V129V59-I61 HydrophobicContact CG1-CD1 4.3Å; V59-I61 HydrophobicContact CG1-CG1 3.77Å; I61-T63 HydrophobicContact CG2-CG2 3.64Å; I61-L69 HydrophobicContact CD1-CD2 3.98Å; I61-V71 HydrophobicContact CD1-CG2 3.88Å; I61-T100 PolarHBondContact N-O 2.85Å; I61-T100 PolarHBondContact O-N 2.88Å; I61-L102 HydrophobicContact CD1-CD1 4.05Å; I61-L114 HydrophobicContact CD1-CD1 4.19Å; I61-L114 HydrophobicContact CD1-CD2 3.58Å; I61-L114 HydrophobicContact CG2-CD1 4.15Å; I61-V126 HydrophobicContact CG2-CG1 4.49Å; I61-R128 WeakPolarHBondContact CA-O 3.48Å; I61-V129 HydrophobicContact CG2-CG2 4.2Å
62V96.2Very high95.7Very high16 Ų1636.2 Ų36.210%0.09718%0.178CC..EExtended strand (participates in β ladder)trans-110.6116.6177.2-1730000108.5L97 Q98 Y127 R128V62-L97 HydrophobicContact CG1-CB 4.04Å; V62-L97 HydrophobicContact CG1-CD1 3.88Å; V62-L97 HydrophobicContact CG1-CG 4.44Å; V62-Q98 CarbonylContact C-O 3.59Å; V62-Q98 WeakPolarHBondContact CA-O 3.29Å; V62-Y127 PolarHBondContact O-N 3.2Å; V62-R128 HydrophobicContact CB-CB 4.07Å; V62-R128 HydrophobicContact CG2-CB 4.03Å; V62-R128 PolarHBondContact N-O 3.48Å; V62-R128 PolarHBondContact O-N 3.43Å
63T96.6Very high96Very high2 Ų230.2 Ų30.21%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-130.3172-175.663.10000112.4I61 V66 Q98 A125 V126I61-T63 HydrophobicContact CG2-CG2 3.64Å; T63-V66 HydrophobicContact CG2-CG2 4.1Å; T63-Q98 PolarHBondContact N-O 3.13Å; T63-Q98 PolarHBondContact O-N 3.19Å; T63-Q98 WeakPolarHBondContact OG1-CB 3.14Å; T63-Q98 PolarHBondContact OG1-OE1 2.82Å; T63-A125 CarbonylContact C-O 3.59Å; T63-A125 VanDerWaalsContact CA-O 3.23Å; T63-A125 WeakPolarHBondContact CA-O 3.31Å; T63-A125 WeakPolarHBondContact CB-O 3.43Å; T63-V126 HydrophobicContact CG2-CG1 4.4Å; T63-V126 HydrophobicContact CG2-CG2 4.19Å
64S95.9Very high96.2Very high21 Ų2127.4 Ų27.415%0.14713%0.132CC..EExtended strand (participates in β ladder)trans-137.8137.8166.4-1760000110.4V66 V124 A125S64-V66 PolarHBondContact O-N 2.93Å; S64-V66 VanDerWaalsContact O-N 3.15Å; S64-V124 WeakPolarHBondContact O-CB 3.41Å; S64-A125 PolarHBondContact N-O 3.15Å; S64-A125 PolarHBondContact O-N 2.8Å
65K96Very high96.4Very high51 Ų5127.6 Ų27.622%0.22214%0.142CC..SBendtrans58.817.1178.8-60.2-62.4-178.5-176.40115.4D92 G119 Y120 V124K65-D92 WeakPolarHBondContact CD-OD1 3.31Å; K65-D92 VanDerWaalsContact NZ-CG 3.32Å; K65-D92 IonicContact NZ-OD1 2.85Å; K65-D92 PolarHBondContact NZ-OD1 2.96Å; K65-D92 IonicContact NZ-OD2 3.14Å; K65-D92 PolarHBondContact NZ-OD2 3.3Å; K65-D92 VanDerWaalsContact NZ-OD2 3.1Å; K65-G119 CarbonylContact O-C 3.37Å; K65-G119 WeakPolarHBondContact O-CA 3.31Å; K65-Y120 PolarHBondContact O-N 3.44Å; K65-V124 HydrophobicContact CB-CG1 4.09Å; K65-V124 WeakPolarHBondContact O-CG1 3.23Å
66V97.1Very high96.5Very high0 Ų025.6 Ų25.60%014%0.135CC..EExtended strand (participates in β ladder)trans-76.3135.4171.9171.80000109.2T63 S64 L69 L90 Q98 I116 V124T63-V66 HydrophobicContact CG2-CG2 4.1Å; S64-V66 PolarHBondContact O-N 2.93Å; S64-V66 VanDerWaalsContact O-N 3.15Å; V66-L69 HydrophobicContact CG1-CB 4.04Å; V66-L90 HydrophobicContact CB-CD1 4.03Å; V66-L90 HydrophobicContact CG1-CD1 3.82Å; V66-L90 HydrophobicContact CG1-CG 4.45Å; V66-Q98 PolarHBondContact O-NE2 3.34Å; V66-Q98 PolarHBondContact O-OE1 3.4Å; V66-I116 HydrophobicContact CG1-CG2 4.23Å; V66-I116 HydrophobicContact CG2-CD1 4.13Å; V66-I116 HydrophobicContact CG2-CG1 4.47Å; V66-I116 HydrophobicContact CG2-CG2 4.31Å; V66-V124 HydrophobicContact CG2-CB 3.93Å; V66-V124 HydrophobicContact CG2-CG1 4.41Å; V66-V124 HydrophobicContact CG2-CG2 3.96Å
67K97.2Very high96.5Very high90 Ų9031.2 Ų31.239%0.39117%0.169SC..EExtended strand (participates in β ladder)trans-106-56.9176.6178.9178.5178.5-178.80111.1T89 L90 S118 Y120K67-T89 HydrophobicContact CG-CG2 4.4Å; K67-T89 CarbonylContact O-C 3.44Å; K67-T89 WeakPolarHBondContact O-CA 3.43Å; K67-L90 PolarHBondContact O-N 2.82Å; K67-S118 PolarHBondContact N-O 3.32Å; K67-Y120 HydrophobicContact CB-CD2 3.82Å; K67-Y120 HydrophobicContact CB-CE1 4.49Å; K67-Y120 HydrophobicContact CB-CE2 3.68Å; K67-Y120 HydrophobicContact CB-CG 4.3Å; K67-Y120 HydrophobicContact CD-CD1 4.46Å; K67-Y120 HydrophobicContact CD-CE1 4.07Å; K67-Y120 HydrophobicContact CG-CD2 4.45Å; K67-Y120 HydrophobicContact CG-CE1 4.18Å; K67-Y120 HydrophobicContact CG-CE2 3.91Å
68A97.9Very high96.6Very high17 Ų1736.3 Ų36.314%0.1419%0.187CC..EExtended strand (participates in β ladder)trans-116.8121.2-179.900000110.2K88 I116 L117 S118A68-K88 WeakPolarHBondContact CA-O 3.4Å; A68-I116 CarbonylContact O-C 3.53Å; A68-L117 HydrophobicContact CB-CB 3.91Å; A68-L117 PolarHBondContact O-N 2.85Å; A68-S118 WeakPolarHBondContact CB-OG 3.12Å; A68-S118 PolarHBondContact N-O 3.15Å; A68-S118 VanDerWaalsContact N-O 3.09Å
69L98.3Very high96.6Very high3 Ų336.7 Ų36.72%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-124.1123.8-177.6177.965.5000109.8I61 V66 V71 K88 L90 L114 K115 I116I61-L69 HydrophobicContact CD1-CD2 3.98Å; V66-L69 HydrophobicContact CG1-CB 4.04Å; L69-V71 HydrophobicContact CD2-CG2 4.29Å; L69-V71 HydrophobicContact CG-CG2 4.16Å; L69-K88 PolarHBondContact N-O 2.99Å; L69-K88 PolarHBondContact O-N 3.08Å; L69-L90 HydrophobicContact CD2-CD1 4.44Å; L69-L114 HydrophobicContact CD1-CB 4.37Å; L69-K115 CarbonylContact C-O 3.57Å; L69-K115 WeakPolarHBondContact CA-O 3.41Å; L69-I116 HydrophobicContact CD1-CG1 4.27Å
70C98.3Very high96.7Very high6 Ų639.6 Ų39.64%0.04121%0.21CC..EExtended strand (participates in β ladder)trans-104139164.8-62.70000110L84 F86 K115 L117C70-L84 HydrophobicContact CB-CD1 4.02Å; C70-F86 CarbonylContact C-O 3.58Å; C70-F86 VanDerWaalsContact CA-O 3.27Å; C70-F86 WeakPolarHBondContact CA-O 3.34Å; C70-K115 HydrophobicContact CB-CB 4.13Å; C70-K115 PolarHBondContact N-O 3.41Å; C70-K115 PolarHBondContact O-N 2.92Å; C70-L117 WeakPolarHBondContact SG-CD1 3.41Å
71V98.3Very high96.7Very high1 Ų141.5 Ų41.51%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-120.5119.7174.2-177.40000108I61 L69 K85 F86 L102 I104 I112 R113 L114I61-V71 HydrophobicContact CD1-CG2 3.88Å; L69-V71 HydrophobicContact CD2-CG2 4.29Å; L69-V71 HydrophobicContact CG-CG2 4.16Å; V71-K85 PolarHBondContact O-N 2.89Å; V71-F86 HydrophobicContact CB-CB 4.29Å; V71-F86 PolarHBondContact N-O 2.6Å; V71-F86 PolarHBondContact O-N 3.16Å; V71-F86 VanDerWaalsContact O-N 3.08Å; V71-L102 HydrophobicContact CB-CD1 4.12Å; V71-L102 HydrophobicContact CG1-CD1 4.47Å; V71-L102 HydrophobicContact CG2-CD1 3.49Å; V71-L102 VanDerWaalsContact CG2-CD1 3.49Å; V71-I104 HydrophobicContact CG1-CD1 4.34Å; V71-I112 HydrophobicContact CG1-CD1 3.66Å; V71-I112 HydrophobicContact CG1-CG1 3.83Å; V71-R113 WeakPolarHBondContact CA-O 3.45Å; V71-L114 HydrophobicContact CB-CD2 4.32Å; V71-L114 HydrophobicContact CG1-CD2 4.02Å; V71-L114 HydrophobicContact CG2-CD2 3.68Å
72E98.2Very high96.8Very high20 Ų2043.1 Ų43.19%0.09323%0.231CC..EExtended strand (participates in β ladder)trans-119.8149.6177.4-58.6155.6128.900109.4F82 E83 L84 I112 R113 K115E72-F82 HydrophobicContact CB-CB 3.99Å; E72-F82 HydrophobicContact CB-CD1 4.28Å; E72-E83 CarbonylContact C-O 3.43Å; E72-E83 WeakPolarHBondContact CA-O 3.3Å; E72-E83 WeakPolarHBondContact CB-O 3.43Å; E72-L84 HydrophobicContact CG-CB 4.3Å; E72-L84 HydrophobicContact CG-CD1 3.9Å; E72-I112 CarbonylContact O-C 3.45Å; E72-I112 WeakPolarHBondContact O-CA 3.11Å; E72-R113 HydrophobicContact CB-CB 4.36Å; E72-R113 PolarHBondContact N-O 3.14Å; E72-R113 PolarHBondContact O-N 3.46Å; E72-R113 IonicContact OE1-CZ 3.1Å; E72-R113 IonicContact OE1-NH2 2.72Å; E72-R113 PolarHBondContact OE1-NH2 3.17Å; E72-R113 IonicContact OE2-CZ 3.95Å; E72-R113 IonicContact OE2-NE 2.64Å; E72-R113 PolarHBondContact OE2-NE 2.7Å; E72-R113 IonicContact OE2-NH2 3.93Å; E72-R113 PolarHBondContact OE2-NH2 3.09Å; E72-K115 IonicContact OE1-NZ 2.91Å; E72-K115 WeakPolarHBondContact OE2-CD 3.28Å
73T97.8Very high96.9Very high1 Ų147.8 Ų47.81%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-127157.7177.967.70000111.8F82 E83 K85 I104 L109 H111 I112T73-F82 CarbonylContact O-C 3.56Å; T73-F82 WeakPolarHBondContact O-CA 3.35Å; T73-E83 PolarHBondContact N-O 2.85Å; T73-E83 PolarHBondContact O-N 3Å; T73-K85 HydrophobicContact CG2-CG 3.85Å; T73-K85 WeakPolarHBondContact OG1-CE 3.16Å; T73-I104 HydrophobicContact CG2-CG2 4.04Å; T73-L109 HydrophobicContact CG2-CD1 3.63Å; T73-H111 CarbonylContact C-O 3.57Å; T73-H111 VanDerWaalsContact CA-O 3.28Å; T73-H111 WeakPolarHBondContact CA-O 3.01Å; T73-I112 HydrophobicContact CG2-CG1 4.35Å
74S97.5Very high96.9Very high3 Ų352.2 Ų52.22%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-140139.2172.2175.30000110.1H76 D80 H110 H111S74-H76 WeakPolarHBondContact OG-CB 3.16Å; S74-H76 PolarHBondContact OG-N 3.2Å; S74-H76 VanDerWaalsContact OG-N 3.15Å; S74-D80 WeakPolarHBondContact CB-O 3.24Å; S74-D80 PolarHBondContact OG-O 3.32Å; S74-H110 PolarHBondContact O-N 2.94Å; S74-H111 PolarHBondContact N-O 2.64Å; S74-H111 PolarHBondContact O-N 2.99Å
75S95.8Very high97Very high63 Ų6354.8 Ų54.844%0.44128%0.283SS..  trans-98.44.5173.456.90000112.7H108 H110S75-H108 VanDerWaalsContact CA-O 3.25Å; S75-H108 WeakPolarHBondContact CA-O 3.36Å; S75-H108 VanDerWaalsContact CB-O 3.22Å; S75-H108 WeakPolarHBondContact CB-O 3.42Å; S75-H110 PolarHBondContact O-CD2 2.84Å; S75-H110 VanDerWaalsContact O-CD2 3.24Å
76H96.3Very high97.1Very high78 Ų7854.4 Ų54.436%0.36128%0.282SS..SBendtrans-79.1155.7178.7-75.7-142.7000111.2S74 K78 D80 N81 H110 H111S74-H76 WeakPolarHBondContact OG-CB 3.16Å; S74-H76 PolarHBondContact OG-N 3.2Å; S74-H76 VanDerWaalsContact OG-N 3.15Å; H76-K78 WeakPolarHBondContact CB-O 3.38Å; H76-K78 PolarHBondContact O-N 2.82Å; H76-D80 WeakPolarHBondContact CB-OD1 3.29Å; H76-D80 IonicContact CG-OD1 3.46Å; H76-D80 IonicContact ND1-OD1 2.96Å; H76-D80 PolarHBondContact ND1-OD1 3.14Å; H76-N81 PolarHBondContact CE1-ND2 2.84Å; H76-N81 PolarHBondContact ND1-ND2 3.19Å; H76-H110 WeakPolarHBondContact O-CB 3.23Å; H76-H110 VanDerWaalsContact O-CG 3.27Å; H76-H111 PolarHBondContact O-CD2 2.85Å; H76-H111 PolarHBondContact O-NE2 3.03Å
77T93.7Very high97.1Very high119 Ų11960.5 Ų60.573%0.7331%0.31SS*.SBendtrans-71.6-20.4177.352.70000113.4
78K95.4Very high97.1Very high141 Ų14160.7 Ų60.761%0.61331%0.311SS*.SBendtrans-105.5151.5172.2-67.7-178.1-177.41770108.7H76 D80 H111H76-K78 WeakPolarHBondContact CB-O 3.38Å; H76-K78 PolarHBondContact O-N 2.82Å; K78-D80 PolarHBondContact O-N 2.85Å; K78-H111 PolarHBondContact O-CD2 2.91Å; K78-H111 VanDerWaalsContact O-CD2 3.26Å; K78-H111 PolarHBondContact O-NE2 2.69Å
79P95.9Very high97.1Very high70 Ų7065 Ų6546%0.45534%0.336SS..SBendtrans-73.967.1175.332.4-36.1000110.7V47 F82V47-P79 HydrophobicContact CG1-CB 4.26Å; P79-F82 VanDerWaalsContact C-CE2 3.43Å; P79-F82 HydrophobicContact CB-CE2 4.28Å; P79-F82 HydrophobicContact CB-CZ 4.03Å; P79-F82 VanDerWaalsContact O-CE2 3.26Å; P79-F82 WeakPolarHBondContact O-CE2 3.2Å
80D95.6Very high97.1Very high60 Ų6065.7 Ų65.732%0.32134%0.339SS..  trans-132.3-179.3174.963.432000110.7S74 H76 K78 F82S74-D80 WeakPolarHBondContact CB-O 3.24Å; S74-D80 PolarHBondContact OG-O 3.32Å; H76-D80 WeakPolarHBondContact CB-OD1 3.29Å; H76-D80 IonicContact CG-OD1 3.46Å; H76-D80 IonicContact ND1-OD1 2.96Å; H76-D80 PolarHBondContact ND1-OD1 3.14Å; K78-D80 PolarHBondContact O-N 2.85Å; D80-F82 VanDerWaalsContact C-N 3.27Å; D80-F82 PolarHBondContact O-N 2.8Å; D80-F82 VanDerWaalsContact O-N 3.13Å
81N96.9Very high96.9Very high110 Ų11069.9 Ų69.959%0.58837%0.369SS*.SBendtrans48.545.2176.3-69.43.8000114.8H76H76-N81 PolarHBondContact CE1-ND2 2.84Å; H76-N81 PolarHBondContact ND1-ND2 3.19Å
82F98Very high96.7Very high33 Ų3373.1 Ų73.115%0.14539%0.386CS..PPolyproline II helixtrans-68.8131.8177.7-73.1-82.2000111.9V47 E72 T73 P79 D80 H111 R113V47-F82 HydrophobicContact CG1-CE1 4.38Å; V47-F82 HydrophobicContact CG1-CZ 3.88Å; V47-F82 HydrophobicContact CG2-CZ 4.32Å; E72-F82 HydrophobicContact CB-CB 3.99Å; E72-F82 HydrophobicContact CB-CD1 4.28Å; T73-F82 CarbonylContact O-C 3.56Å; T73-F82 WeakPolarHBondContact O-CA 3.35Å; P79-F82 VanDerWaalsContact C-CE2 3.43Å; P79-F82 HydrophobicContact CB-CE2 4.28Å; P79-F82 HydrophobicContact CB-CZ 4.03Å; P79-F82 VanDerWaalsContact O-CE2 3.26Å; P79-F82 WeakPolarHBondContact O-CE2 3.2Å; D80-F82 VanDerWaalsContact C-N 3.27Å; D80-F82 PolarHBondContact O-N 2.8Å; D80-F82 VanDerWaalsContact O-N 3.13Å; F82-H111 HydrophobicContact CE1-CB 3.68Å; F82-H111 HydrophobicContact CZ-CB 3.9Å; F82-R113 HydrophobicContact CD1-CB 3.72Å; F82-R113 HydrophobicContact CE1-CB 3.56Å; F82-R113 HydrophobicContact CG-CB 4.39Å; F82-R113 HydrophobicContact CZ-CB 4.09Å
83E97.5Very high95.8Very high114 Ų11473.6 Ų73.653%0.53339%0.392SS..EExtended strand (participates in β ladder)trans-103.6133172.7-62.8-179.3172.600110.5E72 T73 K85E72-E83 CarbonylContact C-O 3.43Å; E72-E83 WeakPolarHBondContact CA-O 3.3Å; E72-E83 WeakPolarHBondContact CB-O 3.43Å; T73-E83 PolarHBondContact N-O 2.85Å; T73-E83 PolarHBondContact O-N 3Å; E83-K85 PolarHBondContact O-N 2.86Å; E83-K85 IonicContact OE2-NZ 2.78Å; E83-K85 PolarHBondContact OE2-NZ 2.79Å
84L97.7Very high95.1Very high96 Ų9680.7 Ų80.750%0.50343%0.43SS..EExtended strand (participates in β ladder)trans-66.8121.2173.2-177.266.2000110.7C70 E72 F86C70-L84 HydrophobicContact CB-CD1 4.02Å; E72-L84 HydrophobicContact CG-CB 4.3Å; E72-L84 HydrophobicContact CG-CD1 3.9Å; L84-F86 WeakPolarHBondContact CD1-O 3.42Å
85K97Very high94.3Very high74 Ų7483.4 Ų83.432%0.32246%0.458SS..EExtended strand (participates in β ladder)trans-101.7-42.7173.9-61.4-55.1-174.2-169.40111.7V71 T73 E83V71-K85 PolarHBondContact O-N 2.89Å; T73-K85 HydrophobicContact CG2-CG 3.85Å; T73-K85 WeakPolarHBondContact OG1-CE 3.16Å; E83-K85 PolarHBondContact O-N 2.86Å; E83-K85 IonicContact OE2-NZ 2.78Å; E83-K85 PolarHBondContact OE2-NZ 2.79Å
86F98Very high94.1Very high44 Ų4487 Ų8719%0.19347%0.468CS..EExtended strand (participates in β ladder)trans-141.4142.1-178.2-63.3-79.7000112C70 V71 L84 K88 L102 P103 I104C70-F86 CarbonylContact C-O 3.58Å; C70-F86 VanDerWaalsContact CA-O 3.27Å; C70-F86 WeakPolarHBondContact CA-O 3.34Å; V71-F86 HydrophobicContact CB-CB 4.29Å; V71-F86 PolarHBondContact N-O 2.6Å; V71-F86 PolarHBondContact O-N 3.16Å; V71-F86 VanDerWaalsContact O-N 3.08Å; L84-F86 WeakPolarHBondContact CD1-O 3.42Å; F86-K88 HydrophobicContact CB-CG 4.44Å; F86-L102 HydrophobicContact CB-CD1 4.21Å; F86-L102 HydrophobicContact CB-CD2 4.31Å; F86-L102 HydrophobicContact CD1-CD2 4.05Å; F86-L102 HydrophobicContact CD2-CB 3.99Å; F86-L102 HydrophobicContact CD2-CD1 4.08Å; F86-L102 HydrophobicContact CD2-CD2 4.28Å; F86-L102 HydrophobicContact CD2-CG 4.35Å; F86-L102 HydrophobicContact CE2-CB 4.01Å; F86-L102 HydrophobicContact CG-CB 4.49Å; F86-L102 HydrophobicContact CG-CD1 4.2Å; F86-L102 HydrophobicContact CG-CD2 3.93Å; F86-L102 HydrophobicContact CG-CG 4.44Å; F86-L102 HydrophobicContact CZ-CB 4.49Å; F86-P103 WeakPolarHBondContact CE2-O 3.4Å; F86-P103 HydrophobicContact CZ-CG 4.07Å; F86-P103 WeakPolarHBondContact CZ-O 3.26Å; F86-I104 HydrophobicContact CD2-CD1 4.07Å; F86-I104 HydrophobicContact CE2-CD1 3.81Å
87E98.1Very high94Very high128 Ų12887.3 Ų87.360%0.59847%0.472SS*.EExtended strand (participates in β ladder)trans-125.9122.5162.3-178.2168175.100107.3
88K97.7Very high94.2Very high93 Ų9382.1 Ų82.140%0.40444%0.439SS..EExtended strand (participates in β ladder)trans-132.9134-171.5-68.3-66.2-174.41790110.8A68 L69 F86 L90 L102A68-K88 WeakPolarHBondContact CA-O 3.4Å; L69-K88 PolarHBondContact N-O 2.99Å; L69-K88 PolarHBondContact O-N 3.08Å; F86-K88 HydrophobicContact CB-CG 4.44Å; K88-L90 HydrophobicContact CB-CD2 4.05Å; K88-L102 HydrophobicContact CG-CD2 4.18Å
89T98Very high94.2Very high109 Ų10980.3 Ų80.367%0.66944%0.435SS*.EExtended strand (participates in β ladder)trans-94.6114.7162.7-57.30000108.3K67K67-T89 HydrophobicContact CG-CG2 4.4Å; K67-T89 CarbonylContact O-C 3.44Å; K67-T89 WeakPolarHBondContact O-CA 3.43Å
90L97Very high94.3Very high16 Ų1677.8 Ų77.88%0.08442%0.418CS..  trans-86.8150177.1-49.6-172.9000109.6V66 K67 L69 K88 Q98 T100 Y120V66-L90 HydrophobicContact CB-CD1 4.03Å; V66-L90 HydrophobicContact CG1-CD1 3.82Å; V66-L90 HydrophobicContact CG1-CG 4.45Å; K67-L90 PolarHBondContact O-N 2.82Å; L69-L90 HydrophobicContact CD2-CD1 4.44Å; K88-L90 HydrophobicContact CB-CD2 4.05Å; L90-Q98 HydrophobicContact CD1-CB 4.4Å; L90-T100 HydrophobicContact CD2-CG2 4.11Å; L90-T100 WeakPolarHBondContact CD2-OG1 3.34Å; L90-Y120 VanDerWaalsContact O-CE2 3.26Å; L90-Y120 WeakPolarHBondContact O-CE2 3.15Å; L90-Y120 PolarHBondContact O-OH 2.92Å
91S94.9Very high94.3Very high95 Ų9579.8 Ų79.866%0.66443%0.426SS*.  trans-78.8146.4175.1-55.70000111.1S93 Q98S91-S93 PolarHBondContact O-N 2.88Å; S91-Q98 PolarHBondContact O-NE2 2.94Å
92D92.9Very high94.3Very high68 Ų6874.7 Ų74.736%0.36440%0.399SS..  trans-69.9104.1168-164.96.5000108.4K65 D94 Y120K65-D92 WeakPolarHBondContact CD-OD1 3.31Å; K65-D92 VanDerWaalsContact NZ-CG 3.32Å; K65-D92 IonicContact NZ-OD1 2.85Å; K65-D92 PolarHBondContact NZ-OD1 2.96Å; K65-D92 IonicContact NZ-OD2 3.14Å; K65-D92 PolarHBondContact NZ-OD2 3.3Å; K65-D92 VanDerWaalsContact NZ-OD2 3.1Å; D92-D94 PolarHBondContact O-N 2.88Å; D92-Y120 HydrophobicContact CB-CD1 3.83Å; D92-Y120 HydrophobicContact CB-CD2 3.74Å; D92-Y120 HydrophobicContact CB-CE1 3.89Å; D92-Y120 HydrophobicContact CB-CE2 3.81Å; D92-Y120 HydrophobicContact CB-CG 3.74Å; D92-Y120 VanDerWaalsContact N-CE2 3.33Å
93S80.9Confident94.2Very high31 Ų3176.3 Ų76.322%0.21741%0.413CS..  trans-85.495.817551.80000106.7S91 G95 Q96 Q98S91-S93 PolarHBondContact O-N 2.88Å; S93-G95 VanDerWaalsContact C-N 3.3Å; S93-G95 CarbonylContact O-C 3.59Å; S93-G95 PolarHBondContact O-N 2.66Å; S93-Q96 PolarHBondContact O-N 3.49Å; S93-Q96 PolarHBondContact OG-O 3.04Å; S93-Q98 WeakPolarHBondContact OG-CG 3.25Å
94D81.9Confident94Very high150 Ų15071.6 Ų71.680%0.80239%0.391SS*.SBendtrans-38.880.6-175.3-168.929.2000114.6D92 Q96D92-D94 PolarHBondContact O-N 2.88Å; D94-Q96 PolarHBondContact O-N 3.13Å
95G81.5Confident93.7Very high60 Ų6072.9 Ų72.962%0.61940%0.398SS*.SBendtrans77.4-12.9-17300000116.4S93S93-G95 VanDerWaalsContact C-N 3.3Å; S93-G95 CarbonylContact O-C 3.59Å; S93-G95 PolarHBondContact O-N 2.66Å
96Q90.9Very high93.3Very high139 Ų13970.5 Ų70.565%0.6539%0.389SS*.SBendtrans-82160.1179-60-58.6-45.800112.4S93 D94S93-Q96 PolarHBondContact O-N 3.49Å; S93-Q96 PolarHBondContact OG-O 3.04Å; D94-Q96 PolarHBondContact O-N 3.13Å
97L95.3Very high92.9Very high83 Ų8372.1 Ų72.144%0.43540%0.403SS..PPolyproline II helixtrans-74.6139.5173.9-62.4-179.6000111V62 Y127V62-L97 HydrophobicContact CG1-CB 4.04Å; V62-L97 HydrophobicContact CG1-CD1 3.88Å; V62-L97 HydrophobicContact CG1-CG 4.44Å; L97-Y127 HydrophobicContact CD2-CD1 4.48Å; L97-Y127 HydrophobicContact CD2-CD2 3.67Å; L97-Y127 HydrophobicContact CD2-CE1 4.24Å; L97-Y127 HydrophobicContact CD2-CE2 3.39Å; L97-Y127 HydrophobicContact CD2-CG 4.22Å
98Q96.7Very high92.6Very high10 Ų1071.6 Ų71.65%0.04740%0.4CS..EExtended strand (participates in β ladder)trans-88.9119.5175.3-58.7166.7-50.900108.5V62 T63 V66 L90 S91 S93V62-Q98 CarbonylContact C-O 3.59Å; V62-Q98 WeakPolarHBondContact CA-O 3.29Å; T63-Q98 PolarHBondContact N-O 3.13Å; T63-Q98 PolarHBondContact O-N 3.19Å; T63-Q98 WeakPolarHBondContact OG1-CB 3.14Å; T63-Q98 PolarHBondContact OG1-OE1 2.82Å; V66-Q98 PolarHBondContact O-NE2 3.34Å; V66-Q98 PolarHBondContact O-OE1 3.4Å; L90-Q98 HydrophobicContact CD1-CB 4.4Å; S91-Q98 PolarHBondContact O-NE2 2.94Å; S93-Q98 WeakPolarHBondContact OG-CG 3.25Å
99I96.3Very high92.5Very high104 Ų10467.1 Ų67.153%0.53338%0.381SS..EExtended strand (participates in β ladder)trans-106.8117.4176.9-59.5176.4000108.2K60 E101K60-I99 HydrophobicContact CD-CG2 4.39Å; K60-I99 VanDerWaalsContact CE-CG2 3.48Å; K60-I99 HydrophobicContact CG-CG2 4.26Å; I99-E101 HydrophobicContact CG2-CG 4.39Å
100T96.7Very high92.4Very high16 Ų1663.1 Ų63.110%0.09835%0.354CS..EExtended strand (participates in β ladder)trans-117.5119.6178.4-50.80000109.4K60 I61 L90 L102K60-T100 CarbonylContact C-O 3.56Å; K60-T100 WeakPolarHBondContact CA-O 3.46Å; I61-T100 PolarHBondContact N-O 2.85Å; I61-T100 PolarHBondContact O-N 2.88Å; L90-T100 HydrophobicContact CD2-CG2 4.11Å; L90-T100 WeakPolarHBondContact CD2-OG1 3.34Å; T100-L102 HydrophobicContact CG2-CD1 4.31Å; T100-L102 HydrophobicContact CG2-CD2 3.82Å; T100-L102 HydrophobicContact CG2-CG 3.92Å
101E97Very high92.4Very high102 Ų10262.5 Ų62.548%0.47735%0.351SS..EExtended strand (participates in β ladder)trans-108.6126.1176.1-67-174.3-17900109.3Q58 K60 I99Q58-E101 PolarHBondContact NE2-OE2 2.74Å; K60-E101 HydrophobicContact CB-CG 4.18Å; K60-E101 HydrophobicContact CD-CG 4.25Å; K60-E101 HydrophobicContact CG-CG 4Å; K60-E101 IonicContact NZ-OE1 3.46Å; K60-E101 PolarHBondContact NZ-OE1 3.4Å; I99-E101 HydrophobicContact CG2-CG 4.39Å
102L96.3Very high92.6Very high3 Ų358 Ų582%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-128.7120.9-172-60.7176.1000110.6Q58 V59 I61 V71 F86 K88 T100 I104Q58-L102 CarbonylContact C-O 3.49Å; Q58-L102 VanDerWaalsContact CA-O 3.31Å; Q58-L102 WeakPolarHBondContact CA-O 3.4Å; V59-L102 PolarHBondContact N-O 2.88Å; V59-L102 PolarHBondContact O-N 2.86Å; I61-L102 HydrophobicContact CD1-CD1 4.05Å; V71-L102 HydrophobicContact CB-CD1 4.12Å; V71-L102 HydrophobicContact CG1-CD1 4.47Å; V71-L102 HydrophobicContact CG2-CD1 3.49Å; V71-L102 VanDerWaalsContact CG2-CD1 3.49Å; F86-L102 HydrophobicContact CB-CD1 4.21Å; F86-L102 HydrophobicContact CB-CD2 4.31Å; F86-L102 HydrophobicContact CD1-CD2 4.05Å; F86-L102 HydrophobicContact CD2-CB 3.99Å; F86-L102 HydrophobicContact CD2-CD1 4.08Å; F86-L102 HydrophobicContact CD2-CD2 4.28Å; F86-L102 HydrophobicContact CD2-CG 4.35Å; F86-L102 HydrophobicContact CE2-CB 4.01Å; F86-L102 HydrophobicContact CG-CB 4.49Å; F86-L102 HydrophobicContact CG-CD1 4.2Å; F86-L102 HydrophobicContact CG-CD2 3.93Å; F86-L102 HydrophobicContact CG-CG 4.44Å; F86-L102 HydrophobicContact CZ-CB 4.49Å; K88-L102 HydrophobicContact CG-CD2 4.18Å; T100-L102 HydrophobicContact CG2-CD1 4.31Å; T100-L102 HydrophobicContact CG2-CD2 3.82Å; T100-L102 HydrophobicContact CG2-CG 3.92Å; L102-I104 HydrophobicContact CB-CD1 4.34Å; L102-I104 PolarHBondContact O-N 2.82Å
103P95.5Very high92.8Very high68 Ų6857.3 Ų57.344%0.44231%0.312SS..EExtended strand (participates in β ladder)trans-76103.9175.830-32.3000110.1S57 F86S57-P103 CarbonylContact O-C 3.5Å; S57-P103 WeakPolarHBondContact O-CA 3.4Å; F86-P103 WeakPolarHBondContact CE2-O 3.4Å; F86-P103 HydrophobicContact CZ-CG 4.07Å; F86-P103 WeakPolarHBondContact CZ-O 3.26Å
104I93.7Very high93.6Very high14 Ų1455.9 Ų55.97%0.07230%0.302CS..EExtended strand (participates in β ladder)trans-80.3-41.9-179.3-59.8-54.3000111.1V56 S57 V59 V71 T73 F86 L102 D106V56-I104 HydrophobicContact CG1-CB 4.32Å; V56-I104 HydrophobicContact CG1-CG1 4.48Å; S57-I104 PolarHBondContact O-N 3.12Å; V59-I104 HydrophobicContact CB-CD1 4.5Å; V59-I104 HydrophobicContact CB-CG1 4Å; V59-I104 HydrophobicContact CG2-CD1 4.41Å; V59-I104 HydrophobicContact CG2-CG1 3.59Å; V71-I104 HydrophobicContact CG1-CD1 4.34Å; T73-I104 HydrophobicContact CG2-CG2 4.04Å; F86-I104 HydrophobicContact CD2-CD1 4.07Å; F86-I104 HydrophobicContact CE2-CD1 3.81Å; L102-I104 HydrophobicContact CB-CD1 4.34Å; L102-I104 PolarHBondContact O-N 2.82Å; I104-D106 HydrophobicContact CG2-CB 3.64Å; I104-D106 PolarHBondContact O-N 2.82Å
105N91.8Very high94.4Very high123 Ų12351.5 Ų51.566%0.65828%0.275SS*.EExtended strand (participates in β ladder)trans48.137.6-177.5-63.1-47.5000114.7V56 S57V56-N105 WeakPolarHBondContact O-CA 3.14Å; V56-N105 PolarHBondContact O-N 2.78Å; V56-N105 VanDerWaalsContact O-N 3.14Å; S57-N105 PolarHBondContact O-N 2.83Å; S57-N105 VanDerWaalsContact O-N 3.09Å
106D88.8Confident95.2Very high24 Ų2448.7 Ų48.713%0.12825%0.246CC..EExtended strand (participates in β ladder)trans-95132.4178.8-166.3-31000109.5K55 V56 I104 H108 L109K55-D106 CarbonylContact C-O 3.58Å; K55-D106 VanDerWaalsContact CA-O 3.28Å; K55-D106 WeakPolarHBondContact CA-O 3.36Å; V56-D106 PolarHBondContact N-O 2.92Å; V56-D106 PolarHBondContact O-N 2.88Å; I104-D106 HydrophobicContact CG2-CB 3.64Å; I104-D106 PolarHBondContact O-N 2.82Å; D106-H108 PolarHBondContact OD1-N 3.3Å; D106-L109 HydrophobicContact CB-CB 4.19Å; D106-L109 PolarHBondContact OD1-N 2.93Å
107T88.5Confident95.5Very high79 Ų7945 Ų4549%0.48523%0.231SC..EExtended strand (participates in β ladder)trans-88.1-20.8-178.753.70000113.5
108H93.3Very high95.6Very high116 Ų11642.7 Ų42.754%0.53722%0.222SC..EExtended strand (participates in β ladder)trans-136.743.9-173.9-63.2-68.5000110.9P53 S75 D106 H110P53-H108 HydrophobicContact CB-CB 4.39Å; S75-H108 VanDerWaalsContact CA-O 3.25Å; S75-H108 WeakPolarHBondContact CA-O 3.36Å; S75-H108 VanDerWaalsContact CB-O 3.22Å; S75-H108 WeakPolarHBondContact CB-O 3.42Å; D106-H108 PolarHBondContact OD1-N 3.3Å; H108-H110 PolarHBondContact O-N 3.08Å
109L95.5Very high95.6Very high0 Ų043.1 Ų43.10%023%0.229CC..EExtended strand (participates in β ladder)trans-64.2128.3179.4-175.266.7000109.7L50 P53 R54 V56 T73 D106 H111 F131L50-L109 HydrophobicContact CD1-CB 4.45Å; L50-L109 HydrophobicContact CD1-CD2 4.37Å; L50-L109 HydrophobicContact CD1-CG 4.34Å; L50-L109 WeakPolarHBondContact CD1-O 3.42Å; P53-L109 WeakPolarHBondContact CA-O 3.48Å; R54-L109 PolarHBondContact N-O 3.44Å; R54-L109 WeakPolarHBondContact O-CB 2.91Å; R54-L109 PolarHBondContact O-N 3.21Å; V56-L109 HydrophobicContact CB-CD2 3.87Å; V56-L109 HydrophobicContact CG1-CD2 4.21Å; V56-L109 HydrophobicContact CG2-CB 4.24Å; V56-L109 HydrophobicContact CG2-CD2 3.65Å; T73-L109 HydrophobicContact CG2-CD1 3.63Å; D106-L109 HydrophobicContact CB-CB 4.19Å; D106-L109 PolarHBondContact OD1-N 2.93Å; L109-H111 VanDerWaalsContact CD1-O 3.3Å; L109-H111 WeakPolarHBondContact CD1-O 3.33Å; L109-F131 HydrophobicContact CD2-CD1 4.31Å; L109-F131 HydrophobicContact CD2-CE1 4.18Å
110H95.8Very high95.6Very high24 Ų2442.5 Ų42.511%0.11122%0.22CC..EExtended strand (participates in β ladder)trans-112.5-38.3170.9-95.6-84.3000111.8S49 L50 P53 S74 S75 H76 H108S49-H110 CarbonylContact C-O 3.52Å; S49-H110 WeakPolarHBondContact CA-O 3.5Å; L50-H110 PolarHBondContact N-O 3.21Å; P53-H110 WeakPolarHBondContact CB-NE2 3.34Å; P53-H110 VanDerWaalsContact CD-CE1 3.41Å; P53-H110 WeakPolarHBondContact CD-CE1 3.1Å; P53-H110 WeakPolarHBondContact CD-NE2 3.11Å; P53-H110 WeakPolarHBondContact CG-NE2 3.23Å; S74-H110 PolarHBondContact O-N 2.94Å; S75-H110 PolarHBondContact O-CD2 2.84Å; S75-H110 VanDerWaalsContact O-CD2 3.24Å; H76-H110 WeakPolarHBondContact O-CB 3.23Å; H76-H110 VanDerWaalsContact O-CG 3.27Å; H108-H110 PolarHBondContact O-N 3.08Å
111H97.4Very high95.4Very high3 Ų344.2 Ų44.21%0.01423%0.233CC..EExtended strand (participates in β ladder)trans-137.5138.7-175.2-50.5-73.5000110.8V47 I48 S49 T73 S74 H76 K78 F82 L109V47-H111 HydrophobicContact CG1-CB 4.27Å; I48-H111 WeakPolarHBondContact O-CA 3.28Å; S49-H111 WeakPolarHBondContact CB-ND1 3.36Å; S49-H111 PolarHBondContact OG-CE1 3.39Å; S49-H111 PolarHBondContact OG-ND1 3.05Å; T73-H111 CarbonylContact C-O 3.57Å; T73-H111 VanDerWaalsContact CA-O 3.28Å; T73-H111 WeakPolarHBondContact CA-O 3.01Å; S74-H111 PolarHBondContact N-O 2.64Å; S74-H111 PolarHBondContact O-N 2.99Å; H76-H111 PolarHBondContact O-CD2 2.85Å; H76-H111 PolarHBondContact O-NE2 3.03Å; K78-H111 PolarHBondContact O-CD2 2.91Å; K78-H111 VanDerWaalsContact O-CD2 3.26Å; K78-H111 PolarHBondContact O-NE2 2.69Å; F82-H111 HydrophobicContact CE1-CB 3.68Å; F82-H111 HydrophobicContact CZ-CB 3.9Å; L109-H111 VanDerWaalsContact CD1-O 3.3Å; L109-H111 WeakPolarHBondContact CD1-O 3.33Å
112I97.6Very high95.2Very high1 Ų146.4 Ų46.41%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-118.9134.3166-173.1165.6000109V47 I48 V59 V71 E72 T73 L114 F131V47-I112 CarbonylContact C-O 3.49Å; V47-I112 VanDerWaalsContact CA-O 3.31Å; V47-I112 WeakPolarHBondContact CA-O 3.33Å; I48-I112 HydrophobicContact CB-CG2 3.68Å; I48-I112 HydrophobicContact CD1-CG2 4.16Å; I48-I112 HydrophobicContact CG1-CG2 4.43Å; I48-I112 HydrophobicContact CG2-CG2 4.43Å; I48-I112 PolarHBondContact N-O 3.24Å; I48-I112 PolarHBondContact O-N 2.79Å; V59-I112 HydrophobicContact CB-CD1 4.31Å; V59-I112 HydrophobicContact CG1-CD1 4.03Å; V59-I112 HydrophobicContact CG2-CD1 3.87Å; V71-I112 HydrophobicContact CG1-CD1 3.66Å; V71-I112 HydrophobicContact CG1-CG1 3.83Å; E72-I112 CarbonylContact O-C 3.45Å; E72-I112 WeakPolarHBondContact O-CA 3.11Å; T73-I112 HydrophobicContact CG2-CG1 4.35Å; I112-L114 HydrophobicContact CD1-CD2 4.37Å; I112-L114 HydrophobicContact CG1-CD2 4.27Å; I112-F131 HydrophobicContact CB-CE1 4.33Å; I112-F131 HydrophobicContact CD1-CE1 4.33Å; I112-F131 HydrophobicContact CG2-CE1 3.6Å; I112-F131 HydrophobicContact CG2-CZ 3.5Å; I112-F131 VanDerWaalsContact CG2-CZ 3.5Å
113R98.2Very high95.1Very high53 Ų5351.7 Ų51.720%0.227%0.266CS..EExtended strand (participates in β ladder)trans-116.7118.8178.2-175.3165.475.5-179.96.6109M45 M46 V47 V71 E72 F82 K115M45-R113 VanDerWaalsContact CE-CD 3.48Å; M45-R113 HydrophobicContact CE-CG 4.01Å; M46-R113 WeakPolarHBondContact O-CA 3.44Å; V47-R113 HydrophobicContact CG2-CB 4.11Å; V47-R113 HydrophobicContact CG2-CG 3.82Å; V71-R113 WeakPolarHBondContact CA-O 3.45Å; E72-R113 HydrophobicContact CB-CB 4.36Å; E72-R113 PolarHBondContact N-O 3.14Å; E72-R113 PolarHBondContact O-N 3.46Å; E72-R113 IonicContact OE1-CZ 3.1Å; E72-R113 IonicContact OE1-NH2 2.72Å; E72-R113 PolarHBondContact OE1-NH2 3.17Å; E72-R113 IonicContact OE2-CZ 3.95Å; E72-R113 IonicContact OE2-NE 2.64Å; E72-R113 PolarHBondContact OE2-NE 2.7Å; E72-R113 IonicContact OE2-NH2 3.93Å; E72-R113 PolarHBondContact OE2-NH2 3.09Å; F82-R113 HydrophobicContact CD1-CB 3.72Å; F82-R113 HydrophobicContact CE1-CB 3.56Å; F82-R113 HydrophobicContact CG-CB 4.39Å; F82-R113 HydrophobicContact CZ-CB 4.09Å; R113-K115 HydrophobicContact CG-CG 4.22Å
114L98.1Very high95.1Very high2 Ų248.6 Ų48.61%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-96.8119.3172.2-57.6-171.9000108.3M45 M46 I61 L69 V71 I112 V129M45-L114 CarbonylContact C-O 3.56Å; M45-L114 WeakPolarHBondContact CA-O 3.46Å; M45-L114 VanDerWaalsContact CB-O 3.23Å; M45-L114 WeakPolarHBondContact CB-O 3.27Å; M46-L114 HydrophobicContact CG-CB 4.04Å; M46-L114 HydrophobicContact CG-CD1 4.37Å; M46-L114 HydrophobicContact CG-CG 4.42Å; M46-L114 PolarHBondContact N-O 2.85Å; M46-L114 PolarHBondContact O-N 3.36Å; M46-L114 HydrophobicContact SD-CD1 4.32Å; I61-L114 HydrophobicContact CD1-CD1 4.19Å; I61-L114 HydrophobicContact CD1-CD2 3.58Å; I61-L114 HydrophobicContact CG2-CD1 4.15Å; L69-L114 HydrophobicContact CD1-CB 4.37Å; V71-L114 HydrophobicContact CB-CD2 4.32Å; V71-L114 HydrophobicContact CG1-CD2 4.02Å; V71-L114 HydrophobicContact CG2-CD2 3.68Å; I112-L114 HydrophobicContact CD1-CD2 4.37Å; I112-L114 HydrophobicContact CG1-CD2 4.27Å; L114-V129 HydrophobicContact CD1-CG2 3.5Å; L114-V129 VanDerWaalsContact CD1-CG2 3.5Å
115K98.1Very high95.2Very high57 Ų5748.3 Ų48.325%0.24825%0.245CC..EExtended strand (participates in β ladder)trans-112.6115.1173.4-69.1172.964.5-175.40109.5M45 L69 C70 E72 R113 L117M45-K115 HydrophobicContact CB-CG 3.94Å; M45-K115 HydrophobicContact SD-CG 4.5Å; L69-K115 CarbonylContact C-O 3.57Å; L69-K115 WeakPolarHBondContact CA-O 3.41Å; C70-K115 HydrophobicContact CB-CB 4.13Å; C70-K115 PolarHBondContact N-O 3.41Å; C70-K115 PolarHBondContact O-N 2.92Å; E72-K115 IonicContact OE1-NZ 2.91Å; E72-K115 WeakPolarHBondContact OE2-CD 3.28Å; R113-K115 HydrophobicContact CG-CG 4.22Å; K115-L117 HydrophobicContact CB-CD2 4.27Å; K115-L117 PolarHBondContact O-N 2.82Å
116I97.9Very high95.4Very high2 Ų242.5 Ų42.51%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-89.9104.4172.7-56.9174.3000107W36 T38 F42 P43 Q44 V66 A68 L69 V124 V126W36-I116 HydrophobicContact CZ3-CD1 4.18Å; T38-I116 HydrophobicContact CG2-CD1 4.22Å; F42-I116 HydrophobicContact CD1-CG2 3.82Å; F42-I116 HydrophobicContact CE1-CG2 3.63Å; P43-I116 CarbonylContact C-O 3.26Å; P43-I116 VanDerWaalsContact CA-O 3.23Å; P43-I116 WeakPolarHBondContact CA-O 3.39Å; Q44-I116 HydrophobicContact CB-CB 4.39Å; Q44-I116 PolarHBondContact N-O 2.77Å; Q44-I116 PolarHBondContact O-N 2.79Å; V66-I116 HydrophobicContact CG1-CG2 4.23Å; V66-I116 HydrophobicContact CG2-CD1 4.13Å; V66-I116 HydrophobicContact CG2-CG1 4.47Å; V66-I116 HydrophobicContact CG2-CG2 4.31Å; A68-I116 CarbonylContact O-C 3.53Å; L69-I116 HydrophobicContact CD1-CG1 4.27Å; I116-V124 HydrophobicContact CD1-CG2 3.73Å; I116-V124 HydrophobicContact CG2-CG2 3.94Å; I116-V126 HydrophobicContact CD1-CG2 3.96Å
117L97.8Very high95.7Very high61 Ų6144 Ų4432%0.31922%0.219SC..EExtended strand (participates in β ladder)trans-82.8-27.3-178.1-56.7-174.4000112.7F42 P43 A68 C70 K115F42-L117 WeakPolarHBondContact CB-O 3.43Å; P43-L117 HydrophobicContact CB-CD2 4.15Å; A68-L117 HydrophobicContact CB-CB 3.91Å; A68-L117 PolarHBondContact O-N 2.85Å; C70-L117 WeakPolarHBondContact SG-CD1 3.41Å; K115-L117 HydrophobicContact CB-CD2 4.27Å; K115-L117 PolarHBondContact O-N 2.82Å
118S97.3Very high96.1Very high35 Ų3541.7 Ų41.725%0.24520%0.201CC..EExtended strand (participates in β ladder)trans-161.2162.3173.462.10000111.8K67 A68K67-S118 PolarHBondContact N-O 3.32Å; A68-S118 WeakPolarHBondContact CB-OG 3.12Å; A68-S118 PolarHBondContact N-O 3.15Å; A68-S118 VanDerWaalsContact N-O 3.09Å
119G96Very high96.2Very high19 Ų1936.3 Ų36.320%0.19618%0.176CC..EExtended strand (participates in β ladder)trans-129.7163.5175.600000112.8F42 K65F42-G119 VanDerWaalsContact CE2-N 3.33Å; F42-G119 VanDerWaalsContact CZ-N 3.28Å; K65-G119 CarbonylContact O-C 3.37Å; K65-G119 WeakPolarHBondContact O-CA 3.31Å
120Y95.6Very high96.1Very high91 Ų9138.9 Ų38.936%0.35719%0.19SC..SBendtrans-80.1-3.8166.3-68.5-74.2000112.8K65 K67 L90 D92K65-Y120 PolarHBondContact O-N 3.44Å; K67-Y120 HydrophobicContact CB-CD2 3.82Å; K67-Y120 HydrophobicContact CB-CE1 4.49Å; K67-Y120 HydrophobicContact CB-CE2 3.68Å; K67-Y120 HydrophobicContact CB-CG 4.3Å; K67-Y120 HydrophobicContact CD-CD1 4.46Å; K67-Y120 HydrophobicContact CD-CE1 4.07Å; K67-Y120 HydrophobicContact CG-CD2 4.45Å; K67-Y120 HydrophobicContact CG-CE1 4.18Å; K67-Y120 HydrophobicContact CG-CE2 3.91Å; L90-Y120 VanDerWaalsContact O-CE2 3.26Å; L90-Y120 WeakPolarHBondContact O-CE2 3.15Å; L90-Y120 PolarHBondContact O-OH 2.92Å; D92-Y120 HydrophobicContact CB-CD1 3.83Å; D92-Y120 HydrophobicContact CB-CD2 3.74Å; D92-Y120 HydrophobicContact CB-CE1 3.89Å; D92-Y120 HydrophobicContact CB-CE2 3.81Å; D92-Y120 HydrophobicContact CB-CG 3.74Å; D92-Y120 VanDerWaalsContact N-CE2 3.33Å
121S94Very high95.9Very high51 Ų5138.2 Ų38.236%0.35719%0.187SC..SBendtrans-138.3165.11711800000108.9F123S121-F123 VanDerWaalsContact C-N 3.27Å; S121-F123 WeakPolarHBondContact CB-O 3.4Å; S121-F123 PolarHBondContact O-N 2.77Å; S121-F123 PolarHBondContact OG-O 2.82Å
122H92.2Very high95.5Very high149 Ų14941.6 Ų41.669%0.6921%0.205SC*.SBendtrans-61.4-39.9173.4-63.2-66.8000111.4G40G40-H122 VanDerWaalsContact CA-O 3.23Å; G40-H122 WeakPolarHBondContact CA-O 3.44Å
123F93.7Very high94.7Very high113 Ų11342 Ų4250%0.49621%0.209SC..SBendtrans-111136.7177.5-48.4-71.3000109.4I37 T38 T39 S121I37-F123 HydrophobicContact CD1-CB 4.3Å; I37-F123 HydrophobicContact CG1-CB 4.36Å; T38-F123 WeakPolarHBondContact O-CD1 3.45Å; T39-F123 WeakPolarHBondContact O-CE1 3.23Å; S121-F123 VanDerWaalsContact C-N 3.27Å; S121-F123 WeakPolarHBondContact CB-O 3.4Å; S121-F123 PolarHBondContact O-N 2.77Å; S121-F123 PolarHBondContact OG-O 2.82Å
124V95.5Very high93Very high3 Ų351 Ų512%0.01825%0.25CC..  trans-127.6157.8177.4-56.80000109.5T38 F42 S64 K65 V66 I116T38-V124 HydrophobicContact CG2-CG2 3.71Å; T38-V124 PolarHBondContact N-O 2.74Å; T38-V124 PolarHBondContact OG1-N 3.49Å; F42-V124 HydrophobicContact CE1-CG1 4.22Å; F42-V124 HydrophobicContact CE1-CG2 4.08Å; F42-V124 HydrophobicContact CZ-CG1 3.94Å; S64-V124 WeakPolarHBondContact O-CB 3.41Å; K65-V124 HydrophobicContact CB-CG1 4.09Å; K65-V124 WeakPolarHBondContact O-CG1 3.23Å; V66-V124 HydrophobicContact CG2-CB 3.93Å; V66-V124 HydrophobicContact CG2-CG1 4.41Å; V66-V124 HydrophobicContact CG2-CG2 3.96Å; I116-V124 HydrophobicContact CD1-CG2 3.73Å; I116-V124 HydrophobicContact CG2-CG2 3.94Å
125A95.6Very high92.7Very high8 Ų853.4 Ų53.47%0.06626%0.262CS..EExtended strand (participates in β ladder)trans-121.5141.4-178.200000111.4F35 W36 T63 S64 Y127F35-A125 HydrophobicContact CB-CB 4.45Å; F35-A125 HydrophobicContact CD2-CB 3.72Å; F35-A125 HydrophobicContact CE2-CB 4.25Å; F35-A125 HydrophobicContact CG-CB 4.26Å; W36-A125 CarbonylContact O-C 3.59Å; W36-A125 VanDerWaalsContact O-CA 3.24Å; W36-A125 WeakPolarHBondContact O-CA 3.47Å; T63-A125 CarbonylContact C-O 3.59Å; T63-A125 VanDerWaalsContact CA-O 3.23Å; T63-A125 WeakPolarHBondContact CA-O 3.31Å; T63-A125 WeakPolarHBondContact CB-O 3.43Å; S64-A125 PolarHBondContact N-O 3.15Å; S64-A125 PolarHBondContact O-N 2.8Å; A125-Y127 HydrophobicContact CB-CD2 4.21Å; A125-Y127 HydrophobicContact CB-CE2 3.68Å
126V96.9Very high92.5Very high2 Ų253.2 Ų53.21%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-110.2116.6164.8-175.30000106.7V27 F35 W36 M46 I61 T63 I116 V129V27-V126 HydrophobicContact CG1-CG1 3.99Å; V27-V126 HydrophobicContact CG2-CB 3.97Å; V27-V126 HydrophobicContact CG2-CG1 3.82Å; V27-V126 WeakPolarHBondContact CG2-O 3.45Å; F35-V126 WeakPolarHBondContact CA-O 3.41Å; F35-V126 WeakPolarHBondContact CB-O 3.35Å; W36-V126 HydrophobicContact CE3-CB 4Å; W36-V126 HydrophobicContact CE3-CG2 3.67Å; W36-V126 HydrophobicContact CZ3-CG2 3.96Å; W36-V126 PolarHBondContact N-O 2.62Å; W36-V126 PolarHBondContact O-N 3.47Å; M46-V126 HydrophobicContact SD-CG1 4.34Å; I61-V126 HydrophobicContact CG2-CG1 4.49Å; T63-V126 HydrophobicContact CG2-CG1 4.4Å; T63-V126 HydrophobicContact CG2-CG2 4.19Å; I116-V126 HydrophobicContact CD1-CG2 3.96Å; V126-V129 HydrophobicContact CG1-CG2 4.07Å
127Y95.8Very high92.2Very high56 Ų5656.1 Ų56.122%0.2228%0.276CS..EExtended strand (participates in β ladder)trans-86.1-49.2-179.5-73.2-100.1000110.4F35 V62 L97 A125F35-Y127 HydrophobicContact CB-CD1 3.79Å; F35-Y127 HydrophobicContact CB-CD2 4.33Å; F35-Y127 HydrophobicContact CB-CE1 4.05Å; F35-Y127 HydrophobicContact CB-CG 3.95Å; F35-Y127 HydrophobicContact CD1-CD1 4.03Å; F35-Y127 AromaticContact CD1-CE1 3.52Å; F35-Y127 HydrophobicContact CD1-CE1 3.52Å; F35-Y127 AromaticContact CD1-CZ 3.97Å; F35-Y127 HydrophobicContact CE1-CE1 4.22Å; F35-Y127 HydrophobicContact CG-CD1 4.26Å; F35-Y127 AromaticContact CG-CE1 4Å; F35-Y127 HydrophobicContact CG-CE1 4Å; V62-Y127 PolarHBondContact O-N 3.2Å; L97-Y127 HydrophobicContact CD2-CD1 4.48Å; L97-Y127 HydrophobicContact CD2-CD2 3.67Å; L97-Y127 HydrophobicContact CD2-CE1 4.24Å; L97-Y127 HydrophobicContact CD2-CE2 3.39Å; L97-Y127 HydrophobicContact CD2-CG 4.22Å; A125-Y127 HydrophobicContact CB-CD2 4.21Å; A125-Y127 HydrophobicContact CB-CE2 3.68Å
128R95.3Very high91.8Very high30 Ų3055.8 Ų55.811%0.11327%0.274CS..EExtended strand (participates in β ladder)trans-146146.4-174.2-64.9-64.3-179-98.7-0.7112.6N26 D29 R31 T34 I61 V62 L130N26-R128 PolarHBondContact O-NH1 2.97Å; N26-R128 VanDerWaalsContact O-NH1 3.09Å; D29-R128 PolarHBondContact O-NE 2.91Å; D29-R128 VanDerWaalsContact O-NE 3.13Å; D29-R128 IonicContact OD1-CZ 3.66Å; D29-R128 IonicContact OD1-NH1 3.63Å; D29-R128 IonicContact OD1-NH2 3.51Å; R31-R128 PolarHBondContact O-NH2 2.98Å; T34-R128 PolarHBondContact O-NH1 3.01Å; T34-R128 PolarHBondContact OG1-NH1 3.26Å; T34-R128 PolarHBondContact OG1-NH2 3.29Å; I61-R128 WeakPolarHBondContact CA-O 3.48Å; V62-R128 HydrophobicContact CB-CB 4.07Å; V62-R128 HydrophobicContact CG2-CB 4.03Å; V62-R128 PolarHBondContact N-O 3.48Å; V62-R128 PolarHBondContact O-N 3.43Å; R128-L130 HydrophobicContact CB-CD2 4.5Å; R128-L130 HydrophobicContact CB-CG 4.33Å
129V95.5Very high91.5Very high2 Ų257.1 Ų57.11%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-129.6113.4163.3179.30000107.4V27 I48 V59 K60 I61 L114 V126 F131V27-V129 HydrophobicContact CG1-CB 3.7Å; V27-V129 HydrophobicContact CG1-CG2 3.4Å; V27-V129 PolarHBondContact O-N 3.15Å; I48-V129 HydrophobicContact CD1-CB 3.59Å; I48-V129 HydrophobicContact CD1-CG1 3.54Å; I48-V129 HydrophobicContact CD1-CG2 3.83Å; V59-V129 HydrophobicContact CG1-CG1 3.76Å; K60-V129 CarbonylContact O-C 3.59Å; K60-V129 WeakPolarHBondContact O-CA 3.44Å; I61-V129 HydrophobicContact CG2-CG2 4.2Å; L114-V129 HydrophobicContact CD1-CG2 3.5Å; L114-V129 VanDerWaalsContact CD1-CG2 3.5Å; V126-V129 HydrophobicContact CG1-CG2 4.07Å; V129-F131 HydrophobicContact CG1-CE2 3.91Å; V129-F131 HydrophobicContact CG1-CZ 3.94Å
130L93Very high91.2Very high54 Ų5459.6 Ų59.628%0.28328%0.281SS..EExtended strand (participates in β ladder)trans-112.8134.6-176.3-53.2170.8000108.7S5 V59 K60 R128S5-L130 WeakPolarHBondContact OG-CD2 3.26Å; V59-L130 CarbonylContact C-O 3.57Å; V59-L130 VanDerWaalsContact CA-O 3.31Å; V59-L130 WeakPolarHBondContact CA-O 3.43Å; K60-L130 HydrophobicContact CB-CB 4.25Å; K60-L130 HydrophobicContact CD-CD1 4.2Å; K60-L130 PolarHBondContact N-O 3.1Å; K60-L130 PolarHBondContact O-N 2.68Å; R128-L130 HydrophobicContact CB-CD2 4.5Å; R128-L130 HydrophobicContact CB-CG 4.33Å
131F91.7Very high90.9Very high11 Ų1157.4 Ų57.45%0.04828%0.275CS..EExtended strand (participates in β ladder)trans-106.3127.6178.1-58.1-98.4000108.8C3 I48 V56 V59 L109 I112 V129C3-F131 HydrophobicContact CB-CB 4.09Å; C3-F131 WeakPolarHBondContact CB-O 3.11Å; C3-F131 PolarHBondContact N-O 2.81Å; I48-F131 HydrophobicContact CB-CZ 4.19Å; I48-F131 HydrophobicContact CD1-CE2 4.4Å; I48-F131 HydrophobicContact CD1-CZ 4.16Å; I48-F131 HydrophobicContact CG2-CE2 3.96Å; I48-F131 HydrophobicContact CG2-CZ 3.75Å; V56-F131 HydrophobicContact CG1-CB 4.44Å; V56-F131 HydrophobicContact CG1-CD1 4.1Å; V56-F131 HydrophobicContact CG2-CD1 4.23Å; V59-F131 HydrophobicContact CG2-CD1 3.62Å; V59-F131 HydrophobicContact CG2-CE1 3.97Å; V59-F131 HydrophobicContact CG2-CG 4.41Å; L109-F131 HydrophobicContact CD2-CD1 4.31Å; L109-F131 HydrophobicContact CD2-CE1 4.18Å; I112-F131 HydrophobicContact CB-CE1 4.33Å; I112-F131 HydrophobicContact CD1-CE1 4.33Å; I112-F131 HydrophobicContact CG2-CE1 3.6Å; I112-F131 HydrophobicContact CG2-CZ 3.5Å; I112-F131 VanDerWaalsContact CG2-CZ 3.5Å; V129-F131 HydrophobicContact CG1-CE2 3.91Å; V129-F131 HydrophobicContact CG1-CZ 3.94Å
132D90.4Very high90.6Very high74 Ų7457.8 Ų57.840%0.39627%0.269SS..EExtended strand (participates in β ladder)trans-104.2132.3165.9-175.542.4000108.7V56 S57 Q58V56-D132 CarbonylContact C-O 3.48Å; V56-D132 WeakPolarHBondContact CA-O 3.21Å; V56-D132 WeakPolarHBondContact CG1-O 3.47Å; S57-D132 PolarHBondContact N-O 3.03Å; S57-D132 PolarHBondContact OG-O 2.94Å; S57-D132 PolarHBondContact OG-OD2 2.91Å; Q58-D132 HydrophobicContact CB-CB 4.23Å; Q58-D132 PolarHBondContact N-O 2.78Å; Q58-D132 PolarHBondContact O-N 2.72Å
133G80.2Confident90.5Very high10 Ų1050.3 Ų50.310%0.10323%0.234CC..EExtended strand (participates in β ladder)trans173.9164.8-165.700000112.9K55K55-G133 CarbonylContact O-C 3.58Å; K55-G133 WeakPolarHBondContact O-CA 3.33Å
134K62.4Low90.2Very high240 Ų24044.5 Ų44.5100%1.04321%0.21SC*.  trans-117.60175.9-77.6-168.9179.1-175.80110.5K55K55-K134 WeakPolarHBondContact CB-O 3.2Å; K55-K134 PolarHBondContact O-N 3.09Å; K55-K134 VanDerWaalsContact O-N 3.1Å

Retrieved 134 of 134 residues in 203.8 ms (Link to these results)

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