A0A077Z1J7_TRITR Loading...

EB module family protein

AlphaFold DB , UniProt , Accession A0A077Z1J7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 107 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
1M40.1Very low43.2Very low248 Ų248168.2 Ų168.2100%1.22282%0.817SS**  0126.60-73.3150.9104.900107
2S42.4Very low44Very low122 Ų122163.9 Ų163.985%0.85380%0.801SS**  trans-72.2159.3-159.6-45.30000114.4
3F44.2Very low45.2Very low192 Ų192157.5 Ų157.584%0.84277%0.768SS**  trans-53139.4-166.2-74.3-99.7000115.8Y5F3-Y5 PolarHBondContact O-N 3.25Å
4P46.2Very low46.5Very low105 Ų105154.6 Ų154.668%0.68276%0.757SS**  trans-78.5113.7177.732-31.1000110.3W6P4-W6 VanDerWaalsContact C-N 3.32Å; P4-W6 PolarHBondContact O-N 3.24Å
5Y41Very low48Very low221 Ų221151.2 Ų151.287%0.86774%0.742SS**  trans-60.392.4162-74.4-97.6000109.1F3 H7F3-Y5 PolarHBondContact O-N 3.25Å; Y5-H7 PolarHBondContact O-N 3.26Å
6W40.3Very low49.6Very low244 Ų244148.1 Ų148.192%0.92472%0.723SS**  trans-68.2101168.8-107.474.3000109.1P4P4-W6 VanDerWaalsContact C-N 3.32Å; P4-W6 PolarHBondContact O-N 3.24Å
7H39.7Very low51.3Low146 Ų146147.5 Ų147.568%0.67672%0.718SS**  trans-63145.7169.5-114.1-106000111.7Y5Y5-H7 PolarHBondContact O-N 3.26Å
8N39.7Very low52.7Low98 Ų98141.6 Ų141.652%0.52469%0.691SS.*  trans80.198.7158.1-56.8-50.2000118.2Q11N8-Q11 PolarHBondContact OD1-NE2 3.19Å
9L43.2Very low54Low170 Ų170145 Ų14589%0.8971%0.705SS**SBend177.89.5124.8-94158.4000116.4
10L48.1Very low54.8Low150 Ų150139.9 Ų139.979%0.78569%0.691SS**  trans-141.154.5167.7-85.6162.3000110.6N12 H13L10-N12 PolarHBondContact O-N 2.9Å; L10-H13 PolarHBondContact O-N 3.2Å
11Q50.2Low55.7Low154 Ų154139.6 Ų139.672%0.7269%0.693SS**THydrogen-bonded Turntrans-55.93.5-162.3-72.4173.7-17.600118.3N8N8-Q11 PolarHBondContact OD1-NE2 3.19Å
12N53.3Low57.6Low117 Ų117130.5 Ų130.563%0.62665%0.649SS**THydrogen-bonded Turntrans-105-13.2172.7-69.3-4.2000113.9L10L10-N12 PolarHBondContact O-N 2.9Å
13H58.7Low59.7Low81 Ų81128.9 Ų128.938%0.37563%0.627SS.*SBendtrans-124.395.1-177.5-66.4-49000111.3L10 I15 I25 N26 D28L10-H13 PolarHBondContact O-N 3.2Å; H13-I15 PolarHBondContact O-N 3.21Å; H13-I15 VanDerWaalsContact O-N 3.08Å; H13-I25 HydrophobicContact CB-CG2 3.55Å; H13-N26 WeakPolarHBondContact CA-O 3.29Å; H13-N26 PolarHBondContact ND1-O 2.91Å; H13-D28 IonicContact CE1-OD2 3.66Å
14L63.4Low61.5Low116 Ų116120.2 Ų120.261%0.60759%0.589SS**  trans-65.5107.8174.8-67.3168.2000109.2N26L14-N26 HydrophobicContact CB-CB 3.96Å; L14-N26 WeakPolarHBondContact O-CB 3.44Å; L14-N26 PolarHBondContact O-N 3.48Å
15I70.3Confident63.3Low104 Ų104116.9 Ų116.953%0.53357%0.565SS.*EExtended strand (participates in β ladder)trans-74.4132.617148.5161.2000109.4H13 F23 L24 I25H13-I15 PolarHBondContact O-N 3.21Å; H13-I15 VanDerWaalsContact O-N 3.08Å; I15-F23 HydrophobicContact CB-CD2 4.37Å; I15-F23 HydrophobicContact CB-CE1 4.06Å; I15-F23 HydrophobicContact CB-CE2 3.51Å; I15-F23 HydrophobicContact CB-CZ 3.36Å; I15-F23 HydrophobicContact CD1-CE2 3.5Å; I15-F23 HydrophobicContact CD1-CZ 3.6Å; I15-F23 HydrophobicContact CG1-CE2 4.05Å; I15-F23 HydrophobicContact CG1-CZ 4.04Å; I15-F23 HydrophobicContact CG2-CD1 4.48Å; I15-F23 HydrophobicContact CG2-CE1 3.46Å; I15-F23 VanDerWaalsContact CG2-CE1 3.46Å; I15-F23 HydrophobicContact CG2-CE2 3.83Å; I15-F23 HydrophobicContact CG2-CZ 3.09Å; I15-L24 CarbonylContact C-O 3.58Å; I15-L24 WeakPolarHBondContact CA-O 3.34Å; I15-I25 HydrophobicContact CG2-CG1 4.16Å
16K73.3Confident65.4Low102 Ų102108.1 Ų108.144%0.44353%0.533SS..EExtended strand (participates in β ladder)trans-134.2158.1175.7-56-177175.3-173.60108.7L24K16-L24 HydrophobicContact CB-CD1 3.71Å; K16-L24 HydrophobicContact CB-CG 4.42Å; K16-L24 HydrophobicContact CG-CD1 4.48Å; K16-L24 PolarHBondContact N-O 3.25Å; K16-L24 WeakPolarHBondContact O-CG 2.93Å; K16-L24 PolarHBondContact O-N 2.97Å
17E77.3Confident67.3Low138 Ų13897.6 Ų97.665%0.64550%0.497SS*.EExtended strand (participates in β ladder)trans-98.7132.1167.3-74.3166.3100.800107.8N22E17-N22 WeakPolarHBondContact CA-O 3.31Å
18D77.2Confident69.2Low41 Ų4196.5 Ų96.522%0.21950%0.496CS..  trans-73175.516766.73.6000111G20 N21 N22 L24 Y34D18-G20 PolarHBondContact O-N 2.77Å; D18-G20 WeakPolarHBondContact OD1-CA 3.34Å; D18-G20 PolarHBondContact OD1-N 2.89Å; D18-N21 PolarHBondContact O-N 3.03Å; D18-N21 PolarHBondContact OD1-N 2.8Å; D18-N21 VanDerWaalsContact OD1-N 3.13Å; D18-N22 PolarHBondContact N-O 3.47Å; D18-N22 WeakPolarHBondContact OD1-CA 3.37Å; D18-N22 VanDerWaalsContact OD1-CB 3.26Å; D18-N22 WeakPolarHBondContact OD1-CB 2.98Å; D18-N22 PolarHBondContact OD1-N 3.26Å; D18-N22 PolarHBondContact OD1-ND2 3.48Å; D18-N22 WeakPolarHBondContact OD2-CB 3.33Å; D18-N22 PolarHBondContact OD2-ND2 3.39Å; D18-L24 HydrophobicContact CB-CD2 3.72Å; D18-Y34 HydrophobicContact CB-CE1 4.46Å; D18-Y34 WeakPolarHBondContact OD2-CE1 3.4Å
19E77.4Confident71.1Confident206 Ų20696 Ų9696%0.96349%0.494SS*.THydrogen-bonded Turntrans-61-13172-70-175.9157.300113.4N21E19-N21 VanDerWaalsContact C-N 3.33Å
20G69.8Low72.8Confident42 Ų4289.7 Ų89.743%0.43347%0.469SS..THydrogen-bonded Turntrans-88.67.6174.700000114.2D18 N22D18-G20 PolarHBondContact O-N 2.77Å; D18-G20 WeakPolarHBondContact OD1-CA 3.34Å; D18-G20 PolarHBondContact OD1-N 2.89Å; G20-N22 PolarHBondContact O-N 2.74Å; G20-N22 VanDerWaalsContact O-N 3.16Å
21N74.4Confident74.5Confident134 Ų13482.6 Ų82.672%0.71743%0.432SS*.SBendtrans53.926.4-170.1-58.3-53.2000112.7D18 E19D18-N21 PolarHBondContact O-N 3.03Å; D18-N21 PolarHBondContact OD1-N 2.8Å; D18-N21 VanDerWaalsContact OD1-N 3.13Å; E19-N21 VanDerWaalsContact C-N 3.33Å
22N80.2Confident76.3Confident58 Ų5878.2 Ų78.231%0.3141%0.41SS..  trans-90.8127.2173-54.8-65.8000108.6E17 D18 G20 L24 Y34E17-N22 WeakPolarHBondContact CA-O 3.31Å; D18-N22 PolarHBondContact N-O 3.47Å; D18-N22 WeakPolarHBondContact OD1-CA 3.37Å; D18-N22 VanDerWaalsContact OD1-CB 3.26Å; D18-N22 WeakPolarHBondContact OD1-CB 2.98Å; D18-N22 PolarHBondContact OD1-N 3.26Å; D18-N22 PolarHBondContact OD1-ND2 3.48Å; D18-N22 WeakPolarHBondContact OD2-CB 3.33Å; D18-N22 PolarHBondContact OD2-ND2 3.39Å; G20-N22 PolarHBondContact O-N 2.74Å; G20-N22 VanDerWaalsContact O-N 3.16Å; N22-L24 PolarHBondContact O-N 2.91Å; N22-Y34 HydrophobicContact CB-CD1 4.14Å; N22-Y34 HydrophobicContact CB-CE1 4.29Å
23F85.1Confident77.8Confident87 Ų8774.6 Ų74.638%0.38239%0.39SS..EExtended strand (participates in β ladder)trans-68123.9172-170.2-99.3000110.4I15 I25 P35I15-F23 HydrophobicContact CB-CD2 4.37Å; I15-F23 HydrophobicContact CB-CE1 4.06Å; I15-F23 HydrophobicContact CB-CE2 3.51Å; I15-F23 HydrophobicContact CB-CZ 3.36Å; I15-F23 HydrophobicContact CD1-CE2 3.5Å; I15-F23 HydrophobicContact CD1-CZ 3.6Å; I15-F23 HydrophobicContact CG1-CE2 4.05Å; I15-F23 HydrophobicContact CG1-CZ 4.04Å; I15-F23 HydrophobicContact CG2-CD1 4.48Å; I15-F23 HydrophobicContact CG2-CE1 3.46Å; I15-F23 VanDerWaalsContact CG2-CE1 3.46Å; I15-F23 HydrophobicContact CG2-CE2 3.83Å; I15-F23 HydrophobicContact CG2-CZ 3.09Å; F23-I25 HydrophobicContact CD1-CG1 4.39Å; F23-I25 HydrophobicContact CE1-CG1 4.06Å; F23-P35 HydrophobicContact CD1-CG 3.74Å; F23-P35 HydrophobicContact CE1-CG 4.35Å; F23-P35 WeakPolarHBondContact O-CD 3.02Å
24L83.4Confident79.1Confident10 Ų1072.6 Ų72.65%0.05238%0.379CS..EExtended strand (participates in β ladder)trans-126.2145.4175.259.282.8000111I15 K16 D18 N22 Y32 L33 Y34I15-L24 CarbonylContact C-O 3.58Å; I15-L24 WeakPolarHBondContact CA-O 3.34Å; K16-L24 HydrophobicContact CB-CD1 3.71Å; K16-L24 HydrophobicContact CB-CG 4.42Å; K16-L24 HydrophobicContact CG-CD1 4.48Å; K16-L24 PolarHBondContact N-O 3.25Å; K16-L24 WeakPolarHBondContact O-CG 2.93Å; K16-L24 PolarHBondContact O-N 2.97Å; D18-L24 HydrophobicContact CB-CD2 3.72Å; N22-L24 PolarHBondContact O-N 2.91Å; L24-Y32 HydrophobicContact CD1-CD1 3.52Å; L24-Y32 HydrophobicContact CD1-CE1 4.28Å; L24-Y32 HydrophobicContact CD1-CG 3.87Å; L24-L33 CarbonylContact C-O 3.53Å; L24-L33 VanDerWaalsContact CA-O 3.31Å; L24-L33 WeakPolarHBondContact CA-O 3.36Å; L24-Y34 HydrophobicContact CB-CD1 3.92Å; L24-Y34 HydrophobicContact CB-CD2 4.47Å; L24-Y34 HydrophobicContact CB-CE1 3.84Å; L24-Y34 HydrophobicContact CB-CE2 4.37Å; L24-Y34 HydrophobicContact CB-CG 4.25Å; L24-Y34 HydrophobicContact CD2-CD1 4.49Å; L24-Y34 HydrophobicContact CD2-CE1 3.6Å; L24-Y34 HydrophobicContact CD2-CE2 4.33Å; L24-Y34 VanDerWaalsContact CD2-CZ 3.5Å; L24-Y34 VanDerWaalsContact CD2-OH 3.3Å; L24-Y34 WeakPolarHBondContact CD2-OH 3.2Å; L24-Y34 HydrophobicContact CG-CE1 4.34Å
25I84.2Confident79.9Confident35 Ų3568.8 Ų68.818%0.17936%0.361CS..EExtended strand (participates in β ladder)trans-105.7117.6-176-58.3175000106.8H13 I15 F23 C27 Y32 L33 P35H13-I25 HydrophobicContact CB-CG2 3.55Å; I15-I25 HydrophobicContact CG2-CG1 4.16Å; F23-I25 HydrophobicContact CD1-CG1 4.39Å; F23-I25 HydrophobicContact CE1-CG1 4.06Å; I25-C27 PolarHBondContact O-N 3.16Å; I25-Y32 CarbonylContact O-C 3.56Å; I25-Y32 WeakPolarHBondContact O-CA 3.08Å; I25-L33 HydrophobicContact CB-CB 4.2Å; I25-L33 HydrophobicContact CD1-CD2 4.28Å; I25-L33 PolarHBondContact N-O 3.45Å; I25-L33 PolarHBondContact O-N 2.03Å; I25-P35 HydrophobicContact CD1-CB 4.33Å; I25-P35 HydrophobicContact CD1-CG 3.87Å; I25-P35 HydrophobicContact CG1-CG 4.11Å
26N83.9Confident80.3Confident37 Ų3767.1 Ų67.120%0.19836%0.363CS..EExtended strand (participates in β ladder)trans-69.6126173.1-169.37.6000110.1H13 L14 G31 Y32H13-N26 WeakPolarHBondContact CA-O 3.29Å; H13-N26 PolarHBondContact ND1-O 2.91Å; L14-N26 HydrophobicContact CB-CB 3.96Å; L14-N26 WeakPolarHBondContact O-CB 3.44Å; L14-N26 PolarHBondContact O-N 3.48Å; N26-G31 PolarHBondContact OD1-O 2.88Å; N26-Y32 HydrophobicContact CB-CD1 4.36Å; N26-Y32 HydrophobicContact CB-CE1 4.41Å
27C80.1Confident80.6Confident23 Ų2365.3 Ų65.316%0.15536%0.361CS..  trans-99.6149.5178.1-620000110.9I25 N29 G30 G31 Y41I25-C27 PolarHBondContact O-N 3.16Å; C27-N29 PolarHBondContact O-N 3.21Å; C27-G30 PolarHBondContact O-N 2.82Å; C27-G31 PolarHBondContact N-O 3.49Å; C27-Y41 HydrophobicContact CB-CE2 3.73Å
28D79.1Confident81Confident123 Ų12366.1 Ų66.166%0.65837%0.369SS*.THydrogen-bonded Turntrans-57.2-23.4177.9-56.9-49.8000113.1H13 G30H13-D28 IonicContact CE1-OD2 3.66Å; D28-G30 PolarHBondContact O-N 2.78Å
29N79.8Confident81.2Confident89 Ų8970.8 Ų70.848%0.47639%0.388SS..THydrogen-bonded Turntrans-76.77.4176.3-77.9-16.6000114.7C27 Y41 G52 C54C27-N29 PolarHBondContact O-N 3.21Å; N29-Y41 VanDerWaalsContact CB-OH 3.29Å; N29-Y41 WeakPolarHBondContact CB-OH 3.48Å; N29-Y41 PolarHBondContact O-OH 2.84Å; N29-G52 PolarHBondContact ND2-O 3.1Å; N29-C54 WeakPolarHBondContact O-CB 3.06Å; N29-C54 PolarHBondContact O-N 3.24Å
30G79Confident81.5Confident37 Ų3764.7 Ų64.738%0.38136%0.361SS..SBendtrans79.414.4175.700000115.3C27 D28 P44C27-G30 PolarHBondContact O-N 2.82Å; D28-G30 PolarHBondContact O-N 2.78Å; G30-P44 VanDerWaalsContact O-CD 3.24Å; G30-P44 WeakPolarHBondContact O-CD 3.25Å
31G84.5Confident82.2Confident0 Ų064.4 Ų64.40%035%0.347CS..  trans-116.9178.9177.700000113.3N26 C27 Y41 C54N26-G31 PolarHBondContact OD1-O 2.88Å; C27-G31 PolarHBondContact N-O 3.49Å; G31-Y41 VanDerWaalsContact CA-OH 3.3Å; G31-Y41 WeakPolarHBondContact CA-OH 3.13Å; G31-Y41 PolarHBondContact N-OH 3.37Å; G31-Y41 VanDerWaalsContact N-OH 3.14Å; G31-C54 WeakPolarHBondContact CA-SG 3.44Å
32Y86.9Confident82.7Confident63 Ų6363.1 Ų63.125%0.24734%0.337CS..EExtended strand (participates in β ladder)trans-120.5123.7-178.1-56.1-59.8000109.6L24 I25 N26 Q42 P44L24-Y32 HydrophobicContact CD1-CD1 3.52Å; L24-Y32 HydrophobicContact CD1-CE1 4.28Å; L24-Y32 HydrophobicContact CD1-CG 3.87Å; I25-Y32 CarbonylContact O-C 3.56Å; I25-Y32 WeakPolarHBondContact O-CA 3.08Å; N26-Y32 HydrophobicContact CB-CD1 4.36Å; N26-Y32 HydrophobicContact CB-CE1 4.41Å; Y32-Q42 PolarHBondContact N-O 2.96Å; Y32-Q42 PolarHBondContact O-N 3.19Å; Y32-P44 HydrophobicContact CE2-CB 4.17Å
33L85.6Confident82.9Confident40 Ų4061.5 Ų61.521%0.20933%0.33CS..EExtended strand (participates in β ladder)trans-99.1126.5176.6-170.692.7000109.5L24 I25 P35 F39 I40 Y41L24-L33 CarbonylContact C-O 3.53Å; L24-L33 VanDerWaalsContact CA-O 3.31Å; L24-L33 WeakPolarHBondContact CA-O 3.36Å; I25-L33 HydrophobicContact CB-CB 4.2Å; I25-L33 HydrophobicContact CD1-CD2 4.28Å; I25-L33 PolarHBondContact N-O 3.45Å; I25-L33 PolarHBondContact O-N 2.03Å; L33-P35 WeakPolarHBondContact O-CD 3.07Å; L33-F39 HydrophobicContact CD2-CD1 3.9Å; L33-I40 CarbonylContact C-O 3.54Å; L33-I40 WeakPolarHBondContact CA-O 3.39Å; L33-Y41 HydrophobicContact CB-CD2 4.42Å; L33-Y41 HydrophobicContact CD1-CD2 4.06Å
34Y85.7Confident82.7Confident40 Ų4059 Ų5916%0.15732%0.323CS..EExtended strand (participates in β ladder)trans-100.593.1-179.4-68.6-99000110.6D18 N22 L24 A36 V37 F39 I40 Q42D18-Y34 HydrophobicContact CB-CE1 4.46Å; D18-Y34 WeakPolarHBondContact OD2-CE1 3.4Å; N22-Y34 HydrophobicContact CB-CD1 4.14Å; N22-Y34 HydrophobicContact CB-CE1 4.29Å; L24-Y34 HydrophobicContact CB-CD1 3.92Å; L24-Y34 HydrophobicContact CB-CD2 4.47Å; L24-Y34 HydrophobicContact CB-CE1 3.84Å; L24-Y34 HydrophobicContact CB-CE2 4.37Å; L24-Y34 HydrophobicContact CB-CG 4.25Å; L24-Y34 HydrophobicContact CD2-CD1 4.49Å; L24-Y34 HydrophobicContact CD2-CE1 3.6Å; L24-Y34 HydrophobicContact CD2-CE2 4.33Å; L24-Y34 VanDerWaalsContact CD2-CZ 3.5Å; L24-Y34 VanDerWaalsContact CD2-OH 3.3Å; L24-Y34 WeakPolarHBondContact CD2-OH 3.2Å; L24-Y34 HydrophobicContact CG-CE1 4.34Å; Y34-A36 PolarHBondContact O-N 2.78Å; Y34-V37 HydrophobicContact CD1-CG2 4.39Å; Y34-V37 HydrophobicContact CG-CG2 4.09Å; Y34-V37 PolarHBondContact O-N 2.83Å; Y34-F39 WeakPolarHBondContact O-CA 2.99Å; Y34-F39 PolarHBondContact O-N 3.43Å; Y34-F39 VanDerWaalsContact O-N 3.12Å; Y34-I40 PolarHBondContact N-O 2.93Å; Y34-I40 PolarHBondContact O-N 2.93Å; Y34-Q42 HydrophobicContact CD2-CB 4.23Å; Y34-Q42 HydrophobicContact CE2-CB 3.69Å
35P80.8Confident82.5Confident35 Ų3564.5 Ų64.523%0.22736%0.362CS..THydrogen-bonded Turntrans-64.2-27.9178.126.4-37.3000113.1F23 I25 L33 V37 F39F23-P35 HydrophobicContact CD1-CG 3.74Å; F23-P35 HydrophobicContact CE1-CG 4.35Å; F23-P35 WeakPolarHBondContact O-CD 3.02Å; I25-P35 HydrophobicContact CD1-CB 4.33Å; I25-P35 HydrophobicContact CD1-CG 3.87Å; I25-P35 HydrophobicContact CG1-CG 4.11Å; L33-P35 WeakPolarHBondContact O-CD 3.07Å; P35-V37 VanDerWaalsContact C-N 3.29Å; P35-V37 PolarHBondContact O-N 2.97Å; P35-F39 HydrophobicContact CB-CD1 4.03Å; P35-F39 HydrophobicContact CB-CE1 3.67Å; P35-F39 HydrophobicContact CB-CZ 4.18Å
36A79.6Confident82Confident70 Ų7064.6 Ų64.658%0.57937%0.372SS*.THydrogen-bonded Turntrans-69.6-24.7-179.700000113.5Y34Y34-A36 PolarHBondContact O-N 2.78Å
37V79.1Confident81.9Confident64 Ų6467.1 Ų67.139%0.38838%0.381SS..THydrogen-bonded Turntrans-121.174.8-179.2-70.60000110.7Y34 P35 F39 I40Y34-V37 HydrophobicContact CD1-CG2 4.39Å; Y34-V37 HydrophobicContact CG-CG2 4.09Å; Y34-V37 PolarHBondContact O-N 2.83Å; P35-V37 VanDerWaalsContact C-N 3.29Å; P35-V37 PolarHBondContact O-N 2.97Å; V37-F39 PolarHBondContact O-N 3.23Å; V37-F39 VanDerWaalsContact O-N 3.11Å; V37-I40 HydrophobicContact CB-CD1 4.38Å; V37-I40 HydrophobicContact CG2-CD1 4.3Å; V37-I40 WeakPolarHBondContact O-CD1 3.06Å; V37-I40 WeakPolarHBondContact O-CG1 3.04Å; V37-I40 PolarHBondContact O-N 2.02Å
38N84.4Confident81.9Confident155 Ų15567.1 Ų67.183%0.82938%0.383SS*.THydrogen-bonded Turntrans53.731.4175.4-67.7-48.2000115.3I40N38-I40 VanDerWaalsContact C-N 3.29Å; N38-I40 PolarHBondContact O-N 2.03Å
39F81.5Confident82.1Confident138 Ų13869.6 Ų69.661%0.60538%0.383SS*.THydrogen-bonded Turntrans54.543.1-180-66.6-87000113.4L33 Y34 P35 V37L33-F39 HydrophobicContact CD2-CD1 3.9Å; Y34-F39 WeakPolarHBondContact O-CA 2.99Å; Y34-F39 PolarHBondContact O-N 3.43Å; Y34-F39 VanDerWaalsContact O-N 3.12Å; P35-F39 HydrophobicContact CB-CD1 4.03Å; P35-F39 HydrophobicContact CB-CE1 3.67Å; P35-F39 HydrophobicContact CB-CZ 4.18Å; V37-F39 PolarHBondContact O-N 3.23Å; V37-F39 VanDerWaalsContact O-N 3.11Å
40I84.5Confident82.1Confident78 Ų7869.7 Ų69.740%0.438%0.38SS..EExtended strand (participates in β ladder)trans-72.6131.2177.8-67.8163.4000109.8L33 Y34 V37 N38L33-I40 CarbonylContact C-O 3.54Å; L33-I40 WeakPolarHBondContact CA-O 3.39Å; Y34-I40 PolarHBondContact N-O 2.93Å; Y34-I40 PolarHBondContact O-N 2.93Å; V37-I40 HydrophobicContact CB-CD1 4.38Å; V37-I40 HydrophobicContact CG2-CD1 4.3Å; V37-I40 WeakPolarHBondContact O-CD1 3.06Å; V37-I40 WeakPolarHBondContact O-CG1 3.04Å; V37-I40 PolarHBondContact O-N 2.02Å; N38-I40 VanDerWaalsContact C-N 3.29Å; N38-I40 PolarHBondContact O-N 2.03Å
41Y85.4Confident82.2Confident36 Ų3675.3 Ų75.314%0.14140%0.401CS..EExtended strand (participates in β ladder)trans-96.7118.6173.4-175-90.7000110.6C27 N29 G31 L33 R49 C54C27-Y41 HydrophobicContact CB-CE2 3.73Å; N29-Y41 VanDerWaalsContact CB-OH 3.29Å; N29-Y41 WeakPolarHBondContact CB-OH 3.48Å; N29-Y41 PolarHBondContact O-OH 2.84Å; G31-Y41 VanDerWaalsContact CA-OH 3.3Å; G31-Y41 WeakPolarHBondContact CA-OH 3.13Å; G31-Y41 PolarHBondContact N-OH 3.37Å; G31-Y41 VanDerWaalsContact N-OH 3.14Å; L33-Y41 HydrophobicContact CB-CD2 4.42Å; L33-Y41 HydrophobicContact CD1-CD2 4.06Å; Y41-R49 VanDerWaalsContact CD1-CD 3.47Å; Y41-R49 HydrophobicContact CD1-CG 4Å; Y41-R49 HydrophobicContact CE1-CG 4.05Å; Y41-C54 WeakPolarHBondContact CE1-SG 3.27Å; Y41-C54 PolarHBondContact OH-SG 2.94Å
42Q83.3Confident81.9Confident107 Ų10776.9 Ų76.950%0.542%0.418SS..EExtended strand (participates in β ladder)trans-116.9137.8-179.3-15597.5-21.200110.2Y32 Y34Y32-Q42 PolarHBondContact N-O 2.96Å; Y32-Q42 PolarHBondContact O-N 3.19Å; Y34-Q42 HydrophobicContact CD2-CB 4.23Å; Y34-Q42 HydrophobicContact CE2-CB 3.69Å
43C84.3Confident81.7Confident25 Ų2575.4 Ų75.417%0.16942%0.419CS..PPolyproline II helixtrans-91.6152.3171.5-66.70000111.2F47 C54C43-F47 HydrophobicContact CB-CB 3.92Å; C43-F47 VanDerWaalsContact CB-O 3.25Å; C43-F47 WeakPolarHBondContact CB-O 3.02Å; C43-C54 WeakPolarHBondContact CA-SG 3.43Å; C43-C54 HydrophobicContact CB-CB 3.85Å; C43-C54 WeakPolarHBondContact CB-SG 3.33Å; C43-C54 WeakPolarHBondContact SG-CA 3.39Å; C43-C54 WeakPolarHBondContact SG-CB 3.21Å; C43-C54 CovalentContact SG-SG 2.04Å; C43-C54 PolarHBondContact SG-SG 2.89Å
44P81.4Confident81.7Confident35 Ų3574.2 Ų74.223%0.22741%0.413CS..PPolyproline II helixtrans-60.3157.9171.223.6-31.2000111.5G30 Y32 G46 F47G30-P44 VanDerWaalsContact O-CD 3.24Å; G30-P44 WeakPolarHBondContact O-CD 3.25Å; Y32-P44 HydrophobicContact CE2-CB 4.17Å; P44-G46 PolarHBondContact O-N 2.95Å; P44-F47 HydrophobicContact CB-CD2 4.46Å; P44-F47 HydrophobicContact CG-CB 4.13Å; P44-F47 HydrophobicContact CG-CD2 3.8Å; P44-F47 HydrophobicContact CG-CG 4.08Å; P44-F47 WeakPolarHBondContact O-CB 3.15Å; P44-F47 PolarHBondContact O-N 3.02Å
45S78.7Confident81.5Confident124 Ų12475.1 Ų75.187%0.86742%0.421SS*.THydrogen-bonded Turntrans-54.6127.5175.445.40000111.1
46G74.7Confident81.3Confident38 Ų3876.9 Ų76.939%0.39243%0.432SS..THydrogen-bonded Turntrans91.81.5-17300000114.4P44 P56 I57P44-G46 PolarHBondContact O-N 2.95Å; G46-P56 CarbonylContact O-C 3.51Å; G46-P56 WeakPolarHBondContact O-CA 3.19Å; G46-I57 PolarHBondContact O-N 2.99Å
47F81.5Confident80.9Confident90 Ų9075.6 Ų75.640%0.39542%0.415SS..EExtended strand (participates in β ladder)trans-126.3142.4175-66.7-105.6000111.2C43 P44 C54 I55 P56C43-F47 HydrophobicContact CB-CB 3.92Å; C43-F47 VanDerWaalsContact CB-O 3.25Å; C43-F47 WeakPolarHBondContact CB-O 3.02Å; P44-F47 HydrophobicContact CB-CD2 4.46Å; P44-F47 HydrophobicContact CG-CB 4.13Å; P44-F47 HydrophobicContact CG-CD2 3.8Å; P44-F47 HydrophobicContact CG-CG 4.08Å; P44-F47 WeakPolarHBondContact O-CB 3.15Å; P44-F47 PolarHBondContact O-N 3.02Å; F47-C54 HydrophobicContact CB-CB 4.09Å; F47-C54 HydrophobicContact CD1-CB 4.46Å; F47-I55 CarbonylContact C-O 3.59Å; F47-I55 WeakPolarHBondContact CA-O 3.48Å; F47-I55 WeakPolarHBondContact CB-O 3.17Å; F47-I55 VanDerWaalsContact CD1-C 3.45Å; F47-P56 HydrophobicContact CD1-CB 4.27Å; F47-P56 HydrophobicContact CE1-CB 4.03Å; F47-P56 HydrophobicContact CE1-CG 4.48Å; F47-P56 HydrophobicContact CZ-CB 4.46Å
48A81.1Confident80.2Confident23 Ų2379.6 Ų79.619%0.1943%0.429CS..EExtended strand (participates in β ladder)trans-121.1147.9177.500000110.8H50 I55 I57 M71A48-H50 PolarHBondContact O-N 2.87Å; A48-I55 PolarHBondContact N-O 3.31Å; A48-I55 PolarHBondContact O-N 2.87Å; A48-I57 HydrophobicContact CB-CD1 4.48Å; A48-I57 HydrophobicContact CB-CG1 3.79Å; A48-M71 HydrophobicContact CB-CG 4.27Å; A48-M71 HydrophobicContact CB-SD 3.6Å; A48-M71 VanDerWaalsContact CB-SD 3.6Å
49R81.6Confident79.3Confident174 Ų17477.7 Ų77.766%0.65741%0.414SS*.EExtended strand (participates in β ladder)trans-74.4111.4178.6-164.5178.2103-155.88.6109.6Y41 A53Y41-R49 VanDerWaalsContact CD1-CD 3.47Å; Y41-R49 HydrophobicContact CD1-CG 4Å; Y41-R49 HydrophobicContact CE1-CG 4.05Å; R49-A53 CarbonylContact C-O 3.57Å; R49-A53 WeakPolarHBondContact CA-O 3.48Å
50H81.5Confident78.9Confident91 Ų9176.2 Ų76.242%0.42141%0.411SS..EExtended strand (participates in β ladder)trans-130.1121.3176.8-170.3-95.5000109.4A48 G52 A53 I55A48-H50 PolarHBondContact O-N 2.87Å; H50-G52 PolarHBondContact O-N 2.9Å; H50-G52 VanDerWaalsContact O-N 3.15Å; H50-A53 PolarHBondContact N-O 3.48Å; H50-A53 PolarHBondContact O-N 3.24Å; H50-I55 HydrophobicContact CB-CD1 3.35Å; H50-I55 HydrophobicContact CB-CG1 3.58Å; H50-I55 HydrophobicContact CB-CG2 4.34Å
51N79.7Confident78.7Confident155 Ų15577.5 Ų77.583%0.82942%0.415SS*.THydrogen-bonded Turntrans51.433.9-175.5-66.6-19.1000114.7A53N51-A53 VanDerWaalsContact C-N 3.26Å; N51-A53 PolarHBondContact O-N 2.83Å
52G79.3Confident78.5Confident34 Ų3475.8 Ų75.835%0.35141%0.409SS..THydrogen-bonded Turntrans82.1-3.3-179.500000115N29 H50N29-G52 PolarHBondContact ND2-O 3.1Å; H50-G52 PolarHBondContact O-N 2.9Å; H50-G52 VanDerWaalsContact O-N 3.15Å
53A82.2Confident78.6Confident31 Ų3176.5 Ų76.526%0.25641%0.41SS..EExtended strand (participates in β ladder)trans-103150.4173.100000111.8R49 H50 N51 I55R49-A53 CarbonylContact C-O 3.57Å; R49-A53 WeakPolarHBondContact CA-O 3.48Å; H50-A53 PolarHBondContact N-O 3.48Å; H50-A53 PolarHBondContact O-N 3.24Å; N51-A53 VanDerWaalsContact C-N 3.26Å; N51-A53 PolarHBondContact O-N 2.83Å; A53-I55 HydrophobicContact CB-CG2 4.47Å; A53-I55 PolarHBondContact O-N 2.94Å
54C84.7Confident78.6Confident15 Ų1576.3 Ų76.310%0.10141%0.409CS..EExtended strand (participates in β ladder)trans-84.5105.2166.2-68.80000108.5N29 G31 Y41 C43 F47N29-C54 WeakPolarHBondContact O-CB 3.06Å; N29-C54 PolarHBondContact O-N 3.24Å; G31-C54 WeakPolarHBondContact CA-SG 3.44Å; Y41-C54 WeakPolarHBondContact CE1-SG 3.27Å; Y41-C54 PolarHBondContact OH-SG 2.94Å; C43-C54 WeakPolarHBondContact CA-SG 3.43Å; C43-C54 HydrophobicContact CB-CB 3.85Å; C43-C54 WeakPolarHBondContact CB-SG 3.33Å; C43-C54 WeakPolarHBondContact SG-CA 3.39Å; C43-C54 WeakPolarHBondContact SG-CB 3.21Å; C43-C54 CovalentContact SG-SG 2.04Å; C43-C54 PolarHBondContact SG-SG 2.89Å; F47-C54 HydrophobicContact CB-CB 4.09Å; F47-C54 HydrophobicContact CD1-CB 4.46Å
55I81.8Confident78.8Confident60 Ų6077.5 Ų77.531%0.30843%0.428SS..EExtended strand (participates in β ladder)trans-98.6148.7173.965.9168.4000109.4F47 A48 H50 A53 I57F47-I55 CarbonylContact C-O 3.59Å; F47-I55 WeakPolarHBondContact CA-O 3.48Å; F47-I55 WeakPolarHBondContact CB-O 3.17Å; F47-I55 VanDerWaalsContact CD1-C 3.45Å; A48-I55 PolarHBondContact N-O 3.31Å; A48-I55 PolarHBondContact O-N 2.87Å; H50-I55 HydrophobicContact CB-CD1 3.35Å; H50-I55 HydrophobicContact CB-CG1 3.58Å; H50-I55 HydrophobicContact CB-CG2 4.34Å; A53-I55 HydrophobicContact CB-CG2 4.47Å; A53-I55 PolarHBondContact O-N 2.94Å; I55-I57 PolarHBondContact O-N 3.44Å
56P77.2Confident79.1Confident71 Ų7176 Ų7646%0.46141%0.407SS..EExtended strand (participates in β ladder)trans-58.2134.5175.523.4-32.7000110G46 F47 Q58G46-P56 CarbonylContact O-C 3.51Å; G46-P56 WeakPolarHBondContact O-CA 3.19Å; F47-P56 HydrophobicContact CD1-CB 4.27Å; F47-P56 HydrophobicContact CE1-CB 4.03Å; F47-P56 HydrophobicContact CE1-CG 4.48Å; F47-P56 HydrophobicContact CZ-CB 4.46Å; P56-Q58 VanDerWaalsContact C-N 3.32Å; P56-Q58 PolarHBondContact O-N 2.04Å
57I70.9Confident79.6Confident43 Ų4378.2 Ų78.222%0.22141%0.414CS..  trans-64.596.3173.9-62.7168.9000106.4G46 A48 I55 F59 M71G46-I57 PolarHBondContact O-N 2.99Å; A48-I57 HydrophobicContact CB-CD1 4.48Å; A48-I57 HydrophobicContact CB-CG1 3.79Å; I55-I57 PolarHBondContact O-N 3.44Å; I57-F59 HydrophobicContact CG2-CD1 4.13Å; I57-F59 HydrophobicContact CG2-CD2 4.32Å; I57-F59 HydrophobicContact CG2-CE1 3.83Å; I57-F59 HydrophobicContact CG2-CE2 4.03Å; I57-F59 HydrophobicContact CG2-CG 4.37Å; I57-F59 HydrophobicContact CG2-CZ 3.78Å; I57-F59 PolarHBondContact O-N 3.37Å; I57-M71 HydrophobicContact CG2-CB 4.05Å; I57-M71 HydrophobicContact CG2-CG 4.04Å
58Q63.6Low79.7Confident149 Ų14974.1 Ų74.170%0.69640%0.397SS*.  trans-77.6104.9167.8-68.4-175.31.500106.7P56 I60P56-Q58 VanDerWaalsContact C-N 3.32Å; P56-Q58 PolarHBondContact O-N 2.04Å; Q58-I60 VanDerWaalsContact C-N 3.32Å; Q58-I60 PolarHBondContact O-N 2.76Å
59F67.4Low79.7Confident114 Ų11479.3 Ų79.350%0.542%0.417SS..  trans-65.196.8170.4-66.4-76.7000108.4I57 Q61 M71 E73I57-F59 HydrophobicContact CG2-CD1 4.13Å; I57-F59 HydrophobicContact CG2-CD2 4.32Å; I57-F59 HydrophobicContact CG2-CE1 3.83Å; I57-F59 HydrophobicContact CG2-CE2 4.03Å; I57-F59 HydrophobicContact CG2-CG 4.37Å; I57-F59 HydrophobicContact CG2-CZ 3.78Å; I57-F59 PolarHBondContact O-N 3.37Å; F59-Q61 PolarHBondContact O-N 2.82Å; F59-Q61 VanDerWaalsContact O-N 3.1Å; F59-Q61 PolarHBondContact O-NE2 3.4Å; F59-M71 WeakPolarHBondContact CA-O 3.29Å; F59-E73 HydrophobicContact CB-CB 3.95Å; F59-E73 HydrophobicContact CD1-CB 4.11Å; F59-E73 HydrophobicContact CG-CB 4.36Å
60I71.8Confident79.3Confident107 Ų10777.1 Ų77.155%0.54943%0.428SS..EExtended strand (participates in β ladder)trans-62.5117.9170.8-59.1173.5000105.6Q58 A62 M71 T72 E73Q58-I60 VanDerWaalsContact C-N 3.32Å; Q58-I60 PolarHBondContact O-N 2.76Å; I60-A62 PolarHBondContact O-N 2.9Å; I60-M71 PolarHBondContact N-O 3.35Å; I60-T72 HydrophobicContact CB-CG2 4.25Å; I60-T72 WeakPolarHBondContact O-CA 3.3Å; I60-T72 WeakPolarHBondContact O-CG2 3.4Å; I60-E73 PolarHBondContact O-N 3.31Å
61Q80.7Confident78.8Confident105 Ų10575.7 Ų75.749%0.49142%0.423SS..EExtended strand (participates in β ladder)trans-74.6108.8176.5-61.3-66.5-63.200107.3F59 E73 T75F59-Q61 PolarHBondContact O-N 2.82Å; F59-Q61 VanDerWaalsContact O-N 3.1Å; F59-Q61 PolarHBondContact O-NE2 3.4Å; Q61-E73 PolarHBondContact NE2-OE2 3Å; Q61-T75 HydrophobicContact CB-CG2 3.83Å; Q61-T75 HydrophobicContact CG-CG2 4.24Å
62A81Confident78.7Confident1 Ų169.2 Ų69.21%0.00839%0.388CS..EExtended strand (participates in β ladder)trans-103136-179.700000110.4I60 Q66 T72 E73 T75 C85I60-A62 PolarHBondContact O-N 2.9Å; A62-Q66 HydrophobicContact CB-CB 3.99Å; A62-T72 HydrophobicContact CB-CG2 3.31Å; A62-E73 PolarHBondContact N-O 3.15Å; A62-T75 PolarHBondContact O-N 3.37Å; A62-T75 PolarHBondContact O-OG1 2.82Å; A62-C85 WeakPolarHBondContact CB-SG 3.37Å
63K85.4Confident78.8Confident121 Ų12172.3 Ų72.353%0.52639%0.394SS..PPolyproline II helixtrans-78.7157.8171.7-71.8179.3-179.5179.10110.4G65 Q66K63-G65 PolarHBondContact O-N 2.94Å; K63-Q66 WeakPolarHBondContact O-CB 3.44Å; K63-Q66 PolarHBondContact O-N 3.11Å
64P84.9Confident78.9Confident21 Ų2171.9 Ų71.914%0.13639%0.389CS..THydrogen-bonded Turntrans-49.7126.4169.3-22.829.5000111.4A78 P93 G96P64-A78 HydrophobicContact CB-CB 4.28Å; P64-A78 HydrophobicContact CG-CB 3.98Å; P64-P93 HydrophobicContact CB-CB 3.55Å; P64-P93 HydrophobicContact CG-CB 4.33Å; P64-G96 VanDerWaalsContact CD-C 3.49Å; P64-G96 WeakPolarHBondContact CD-O 3.24Å
65G84.6Confident78.9Confident61 Ų6173 Ų7363%0.62940%0.395SS*.THydrogen-bonded Turntrans97-13.8-175.600000115.1K63 C85K63-G65 PolarHBondContact O-N 2.94Å; G65-C85 PolarHBondContact N-O 3.13Å
66Q86Confident79.1Confident93 Ų9371.4 Ų71.444%0.43539%0.394SS..SBendtrans-82.3152.3174.7-70.7-171.8-52.400112A62 K63 C85A62-Q66 HydrophobicContact CB-CB 3.99Å; K63-Q66 WeakPolarHBondContact O-CB 3.44Å; K63-Q66 PolarHBondContact O-N 3.11Å; Q66-C85 PolarHBondContact O-N 3.06Å
67P84.3Confident79.4Confident84 Ų8470.4 Ų70.455%0.54540%0.396SS..BIsolated β-bridgetrans-64.2142.7173.927.8-34.3000110.4G83P67-G83 CarbonylContact C-O 3.6Å; P67-G83 VanDerWaalsContact CA-O 3.29Å; P67-G83 WeakPolarHBondContact CA-O 3.4Å
68C85.2Confident80.2Confident3 Ų368.9 Ų68.92%0.0239%0.39CS..  trans-124.1140.2174.453.50000111.2T72 C80 G83 I84 C85C68-T72 HydrophobicContact CB-CG2 3.83Å; C68-C80 HydrophobicContact CB-CB 3.87Å; C68-C80 WeakPolarHBondContact CB-SG 3.26Å; C68-C80 WeakPolarHBondContact SG-CA 3.42Å; C68-C80 WeakPolarHBondContact SG-CB 3.49Å; C68-C80 CovalentContact SG-SG 2.02Å; C68-C80 PolarHBondContact SG-SG 3.27Å; C68-G83 PolarHBondContact N-O 3.06Å; C68-G83 CarbonylContact O-C 3.56Å; C68-G83 WeakPolarHBondContact O-CA 3.16Å; C68-I84 VanDerWaalsContact SG-CA 3.57Å; C68-I84 PolarHBondContact SG-N 3.32Å; C68-C85 PolarHBondContact SG-N 2.7Å
69H79.9Confident81.3Confident133 Ų13365.2 Ų65.262%0.61638%0.377SS*.  trans-119.4-179.7175.1-63-65.9000110.1M71 T72H69-M71 PolarHBondContact O-N 3.41Å; H69-T72 VanDerWaalsContact N-CB 3.31Å; H69-T72 PolarHBondContact N-OG1 3.12Å; H69-T72 PolarHBondContact O-N 3.28Å
70S73.1Confident82.2Confident128 Ų12862.6 Ų62.690%0.89537%0.372SS*.THydrogen-bonded Turntrans-57-15.9174.7-42.90000113.8
71M71.1Confident83Confident61 Ų6161.1 Ų61.130%0.337%0.368SS..THydrogen-bonded Turntrans-112.721.3177.1-53.7-175.7-72.800112.2A48 I57 F59 I60 H69A48-M71 HydrophobicContact CB-CG 4.27Å; A48-M71 HydrophobicContact CB-SD 3.6Å; A48-M71 VanDerWaalsContact CB-SD 3.6Å; I57-M71 HydrophobicContact CG2-CB 4.05Å; I57-M71 HydrophobicContact CG2-CG 4.04Å; F59-M71 WeakPolarHBondContact CA-O 3.29Å; I60-M71 PolarHBondContact N-O 3.35Å; H69-M71 PolarHBondContact O-N 3.41Å
72T77.2Confident83.3Confident18 Ų1860 Ų6011%0.1139%0.385CS..EExtended strand (participates in β ladder)trans-119.5126.7180-49.60000109.6I60 A62 C68 H69I60-T72 HydrophobicContact CB-CG2 4.25Å; I60-T72 WeakPolarHBondContact O-CA 3.3Å; I60-T72 WeakPolarHBondContact O-CG2 3.4Å; A62-T72 HydrophobicContact CB-CG2 3.31Å; C68-T72 HydrophobicContact CB-CG2 3.83Å; H69-T72 VanDerWaalsContact N-CB 3.31Å; H69-T72 PolarHBondContact N-OG1 3.12Å; H69-T72 PolarHBondContact O-N 3.28Å
73E82.2Confident83.6Confident99 Ų9961.6 Ų61.646%0.46340%0.401SS..EExtended strand (participates in β ladder)trans-102.3120.9175.1-173.4175.8-155.700108.8F59 I60 Q61 A62 T75F59-E73 HydrophobicContact CB-CB 3.95Å; F59-E73 HydrophobicContact CD1-CB 4.11Å; F59-E73 HydrophobicContact CG-CB 4.36Å; I60-E73 PolarHBondContact O-N 3.31Å; Q61-E73 PolarHBondContact NE2-OE2 3Å; A62-E73 PolarHBondContact N-O 3.15Å; E73-T75 PolarHBondContact O-N 2.82Å
74C84.4Confident83.8Confident23 Ų2359 Ų5916%0.15539%0.393CS..EExtended strand (participates in β ladder)trans-76.4117.8177.7-63.30000109.5A78 C85C74-A78 HydrophobicContact CB-CB 4Å; C74-A78 VanDerWaalsContact CB-O 3.27Å; C74-A78 WeakPolarHBondContact CB-O 3.41Å; C74-C85 VanDerWaalsContact CA-SG 3.51Å; C74-C85 HydrophobicContact CB-CB 3.79Å; C74-C85 WeakPolarHBondContact CB-SG 3.36Å; C74-C85 WeakPolarHBondContact SG-CA 3.35Å; C74-C85 WeakPolarHBondContact SG-CB 3.49Å; C74-C85 CovalentContact SG-SG 2.03Å; C74-C85 PolarHBondContact SG-SG 2.8Å
75T85.1Confident84.1Confident38 Ų3858 Ų5823%0.23339%0.386CS..PPolyproline II helixtrans-88.4161.8177.854.70000112.1Q61 A62 E73Q61-T75 HydrophobicContact CB-CG2 3.83Å; Q61-T75 HydrophobicContact CG-CG2 4.24Å; A62-T75 PolarHBondContact O-N 3.37Å; A62-T75 PolarHBondContact O-OG1 2.82Å; E73-T75 PolarHBondContact O-N 2.82Å
76G84.4Confident84.3Confident27 Ų2762.1 Ų62.128%0.27838%0.383SS..THydrogen-bonded Turntrans75.327.5173.300000114.1A78 C98G76-A78 VanDerWaalsContact C-N 3.29Å; G76-A78 PolarHBondContact O-N 3.41Å; G76-C98 VanDerWaalsContact O-CB 3.31Å; G76-C98 WeakPolarHBondContact O-CB 3.4Å; G76-C98 PolarHBondContact O-N 3.01Å; G76-C98 PolarHBondContact O-SG 3.37Å
77G83.7Confident84.5Confident49 Ų4958.8 Ų58.851%0.50537%0.37SS..THydrogen-bonded Turntrans74.118.2178.400000114.3L88G77-L88 WeakPolarHBondContact O-CD1 3.44Å
78A88.2Confident84.5Confident11 Ų1158.8 Ų58.89%0.09137%0.365CS..EExtended strand (participates in β ladder)trans-84.9155.8168.200000111.3P64 C74 G76 C85 R86P64-A78 HydrophobicContact CB-CB 4.28Å; P64-A78 HydrophobicContact CG-CB 3.98Å; C74-A78 HydrophobicContact CB-CB 4Å; C74-A78 VanDerWaalsContact CB-O 3.27Å; C74-A78 WeakPolarHBondContact CB-O 3.41Å; G76-A78 VanDerWaalsContact C-N 3.29Å; G76-A78 PolarHBondContact O-N 3.41Å; A78-C85 HydrophobicContact CB-CB 4.17Å; A78-R86 CarbonylContact C-O 3.51Å; A78-R86 WeakPolarHBondContact CA-O 3.3Å
79V87.5Confident84.4Confident72 Ų7264.9 Ų64.944%0.43640%0.404SS..EExtended strand (participates in β ladder)trans-119.1139.8177-161.30000108.6V81 R86 L88V79-V81 HydrophobicContact CB-CG2 4.28Å; V79-V81 HydrophobicContact CG1-CG2 4.49Å; V79-V81 PolarHBondContact O-N 3.14Å; V79-V81 VanDerWaalsContact O-N 3.16Å; V79-R86 PolarHBondContact N-O 2.81Å; V79-R86 PolarHBondContact O-N 3.33Å; V79-L88 HydrophobicContact CG2-CD1 3.35Å; V79-L88 HydrophobicContact CG2-CG 3.91Å
80C86.3Confident84.6Confident59 Ų5960.1 Ų60.140%0.39939%0.391SS..EExtended strand (participates in β ladder)trans-72.3108.1175.4-172.90000109.6C68C68-C80 HydrophobicContact CB-CB 3.87Å; C68-C80 WeakPolarHBondContact CB-SG 3.26Å; C68-C80 WeakPolarHBondContact SG-CA 3.42Å; C68-C80 WeakPolarHBondContact SG-CB 3.49Å; C68-C80 CovalentContact SG-SG 2.02Å; C68-C80 PolarHBondContact SG-SG 3.27Å
81V88.5Confident85.2Confident76 Ų7656.5 Ų56.546%0.46136%0.361SS..EExtended strand (participates in β ladder)trans-125.7113.6-179.7-177.80000108.8V79 G83 I84V79-V81 HydrophobicContact CB-CG2 4.28Å; V79-V81 HydrophobicContact CG1-CG2 4.49Å; V79-V81 PolarHBondContact O-N 3.14Å; V79-V81 VanDerWaalsContact O-N 3.16Å; V81-G83 VanDerWaalsContact C-N 3.33Å; V81-G83 PolarHBondContact O-N 2.95Å; V81-I84 PolarHBondContact N-O 3Å; V81-I84 PolarHBondContact O-N 2.88Å
82G87.3Confident85.8Confident82 Ų8258.9 Ų58.985%0.84537%0.37SS*.THydrogen-bonded Turntrans6731.4-179.400000113.8I84G82-I84 VanDerWaalsContact C-N 3.31Å; G82-I84 PolarHBondContact O-N 3.25Å
83G86.9Confident86.2Confident34 Ų3462.1 Ų62.135%0.35139%0.391SS..THydrogen-bonded Turntrans7714.1-178.900000114.4P67 C68 V81P67-G83 CarbonylContact C-O 3.6Å; P67-G83 VanDerWaalsContact CA-O 3.29Å; P67-G83 WeakPolarHBondContact CA-O 3.4Å; C68-G83 PolarHBondContact N-O 3.06Å; C68-G83 CarbonylContact O-C 3.56Å; C68-G83 WeakPolarHBondContact O-CA 3.16Å; V81-G83 VanDerWaalsContact C-N 3.33Å; V81-G83 PolarHBondContact O-N 2.95Å
84I89.1Confident86.3Confident67 Ų6759.7 Ų59.734%0.34439%0.385SS..EExtended strand (participates in β ladder)trans-131.9136.1174.4-57.1175.3000109.4C68 V81 G82 R86C68-I84 VanDerWaalsContact SG-CA 3.57Å; C68-I84 PolarHBondContact SG-N 3.32Å; V81-I84 PolarHBondContact N-O 3Å; V81-I84 PolarHBondContact O-N 2.88Å; G82-I84 VanDerWaalsContact C-N 3.31Å; G82-I84 PolarHBondContact O-N 3.25Å; I84-R86 HydrophobicContact CG2-CG 4.45Å; I84-R86 PolarHBondContact O-N 2.75Å
85C90.2Very high86.3Confident0 Ų067.8 Ų67.80%042%0.421CS..EExtended strand (participates in β ladder)trans-67.9113.4173.4-69.20000110.1A62 G65 Q66 C68 C74 A78A62-C85 WeakPolarHBondContact CB-SG 3.37Å; G65-C85 PolarHBondContact N-O 3.13Å; Q66-C85 PolarHBondContact O-N 3.06Å; C68-C85 PolarHBondContact SG-N 2.7Å; C74-C85 VanDerWaalsContact CA-SG 3.51Å; C74-C85 HydrophobicContact CB-CB 3.79Å; C74-C85 WeakPolarHBondContact CB-SG 3.36Å; C74-C85 WeakPolarHBondContact SG-CA 3.35Å; C74-C85 WeakPolarHBondContact SG-CB 3.49Å; C74-C85 CovalentContact SG-SG 2.03Å; C74-C85 PolarHBondContact SG-SG 2.8Å; A78-C85 HydrophobicContact CB-CB 4.17Å
86R89.7Confident86.1Confident147 Ų14766.8 Ų66.856%0.55542%0.418SS*.EExtended strand (participates in β ladder)trans-121.2142.5179.5-71.1-175.4167.2-174.5-2.7110.7A78 V79 I84A78-R86 CarbonylContact C-O 3.51Å; A78-R86 WeakPolarHBondContact CA-O 3.3Å; V79-R86 PolarHBondContact N-O 2.81Å; V79-R86 PolarHBondContact O-N 3.33Å; I84-R86 HydrophobicContact CG2-CG 4.45Å; I84-R86 PolarHBondContact O-N 2.75Å
87C89.6Confident86.2Confident24 Ų2469 Ų6916%0.16243%0.426CS..EExtended strand (participates in β ladder)trans-64.9152.2172.2-64.70000111.1L91 C98C87-L91 HydrophobicContact CB-CB 4Å; C87-L91 WeakPolarHBondContact CB-O 3.43Å; C87-C98 WeakPolarHBondContact CA-SG 3.01Å; C87-C98 HydrophobicContact CB-CB 3.69Å; C87-C98 WeakPolarHBondContact CB-SG 3.31Å; C87-C98 VanDerWaalsContact SG-CA 3.51Å; C87-C98 WeakPolarHBondContact SG-CB 3.4Å; C87-C98 CovalentContact SG-SG 2.03Å; C87-C98 PolarHBondContact SG-SG 2.81Å
88L85.8Confident86.3Confident84 Ų8467.3 Ų67.344%0.4441%0.406SS..PPolyproline II helixtrans-58154.8172.6-81.284.6000110.6G77 V79 G90 L91G77-L88 WeakPolarHBondContact O-CD1 3.44Å; V79-L88 HydrophobicContact CG2-CD1 3.35Å; V79-L88 HydrophobicContact CG2-CG 3.91Å; L88-G90 PolarHBondContact O-N 3.33Å; L88-L91 HydrophobicContact CB-CD1 3.95Å; L88-L91 PolarHBondContact O-N 2.87Å
89P82.9Confident86.3Confident131 Ų13170.7 Ų70.785%0.85142%0.422SS*.THydrogen-bonded Turntrans-52.7125.9175.8-22.832.2000111
90G82.5Confident86.1Confident32 Ų3273.4 Ų73.433%0.3343%0.433SS..THydrogen-bonded Turntrans91.7-0.4-177.500000115.2L88 P101L88-G90 PolarHBondContact O-N 3.33Å; G90-P101 WeakPolarHBondContact O-CD 3.08Å
91L86.4Confident85.5Confident53 Ų5371.5 Ų71.528%0.27742%0.42SS..  trans-113.3148.5170.3-68.690.7000111.1C87 L88 C98 I99 L100C87-L91 HydrophobicContact CB-CB 4Å; C87-L91 WeakPolarHBondContact CB-O 3.43Å; L88-L91 HydrophobicContact CB-CD1 3.95Å; L88-L91 PolarHBondContact O-N 2.87Å; L91-C98 HydrophobicContact CB-CB 3.97Å; L91-C98 HydrophobicContact CD2-CB 3.89Å; L91-I99 CarbonylContact C-O 3.58Å; L91-I99 WeakPolarHBondContact CA-O 3.32Å; L91-L100 HydrophobicContact CD1-CD2 4.34Å; L91-L100 HydrophobicContact CG-CD2 4.07Å; L91-L100 HydrophobicContact CG-CG 4.45Å
92F84.9Confident84.7Confident110 Ų11070.9 Ų70.948%0.48242%0.418SS..EExtended strand (participates in β ladder)trans-116.4137.2-177.6-60.4-99.2000109.3S94 I99 P101F92-S94 PolarHBondContact O-N 3.41Å; F92-I99 PolarHBondContact N-O 2.89Å; F92-I99 PolarHBondContact O-N 2.86Å; F92-P101 HydrophobicContact CD2-CB 3.56Å; F92-P101 VanDerWaalsContact CD2-CD 3.49Å; F92-P101 HydrophobicContact CD2-CG 3.82Å; F92-P101 HydrophobicContact CE2-CB 3.31Å; F92-P101 VanDerWaalsContact CE2-CD 3.45Å; F92-P101 HydrophobicContact CE2-CG 3.32Å; F92-P101 HydrophobicContact CZ-CB 4.14Å; F92-P101 HydrophobicContact CZ-CG 4.31Å
93P83.9Confident83.7Confident86 Ų8670.9 Ų70.956%0.55841%0.41SS*.EExtended strand (participates in β ladder)trans-70.2116.9177.929.2-34.2000110.3P64P64-P93 HydrophobicContact CB-CB 3.55Å; P64-P93 HydrophobicContact CG-CB 4.33Å
94S85.9Confident82.6Confident48 Ų4878.1 Ų78.134%0.33643%0.428SS..EExtended strand (participates in β ladder)trans-133.6125.4176.3-171.10000110.8F92 G96 V97F92-S94 PolarHBondContact O-N 3.41Å; S94-G96 PolarHBondContact O-N 3.16Å; S94-V97 CarbonylContact C-O 3.55Å; S94-V97 PolarHBondContact N-O 2.93Å; S94-V97 CarbonylContact O-C 3.45Å; S94-V97 PolarHBondContact O-N 3.04Å
95Q82.9Confident81.2Confident194 Ų19481.7 Ų81.791%0.90745%0.445SS*.THydrogen-bonded Turntrans53.125.1-178.1-58-170.3-5.200115.3
96G81.5Confident79.7Confident17 Ų1789.5 Ų89.518%0.17548%0.476CS..THydrogen-bonded Turntrans8610.6-177.100000114.5P64 S94P64-G96 VanDerWaalsContact CD-C 3.49Å; P64-G96 WeakPolarHBondContact CD-O 3.24Å; S94-G96 PolarHBondContact O-N 3.16Å
97V86Confident77.7Confident73 Ų7389.2 Ų89.244%0.44252%0.518SS..EExtended strand (participates in β ladder)trans-129.1145.7174.8-175.20000109.2S94 I99S94-V97 CarbonylContact C-O 3.55Å; S94-V97 PolarHBondContact N-O 2.93Å; S94-V97 CarbonylContact O-C 3.45Å; S94-V97 PolarHBondContact O-N 3.04Å; V97-I99 PolarHBondContact O-N 3.08Å
98C87Confident77.1Confident13 Ų1392.5 Ų92.59%0.08854%0.536CS..EExtended strand (participates in β ladder)trans-80116.7175.3-61.80000109.4G76 C87 L91G76-C98 VanDerWaalsContact O-CB 3.31Å; G76-C98 WeakPolarHBondContact O-CB 3.4Å; G76-C98 PolarHBondContact O-N 3.01Å; G76-C98 PolarHBondContact O-SG 3.37Å; C87-C98 WeakPolarHBondContact CA-SG 3.01Å; C87-C98 HydrophobicContact CB-CB 3.69Å; C87-C98 WeakPolarHBondContact CB-SG 3.31Å; C87-C98 VanDerWaalsContact SG-CA 3.51Å; C87-C98 WeakPolarHBondContact SG-CB 3.4Å; C87-C98 CovalentContact SG-SG 2.03Å; C87-C98 PolarHBondContact SG-SG 2.81Å; L91-C98 HydrophobicContact CB-CB 3.97Å; L91-C98 HydrophobicContact CD2-CB 3.89Å
99I88.1Confident76.6Confident82 Ų8292.9 Ų92.942%0.42154%0.541SS..EExtended strand (participates in β ladder)trans-115.2151.217765.4170.9000110.4L91 F92 V97L91-I99 CarbonylContact C-O 3.58Å; L91-I99 WeakPolarHBondContact CA-O 3.32Å; F92-I99 PolarHBondContact N-O 2.89Å; F92-I99 PolarHBondContact O-N 2.86Å; V97-I99 PolarHBondContact O-N 3.08Å
100L82.4Confident76.3Confident129 Ų12990.8 Ų90.868%0.67552%0.524SS*.PPolyproline II helixtrans-66.1140.5172.7-72.1163.3000109.6L91L91-L100 HydrophobicContact CD1-CD2 4.34Å; L91-L100 HydrophobicContact CG-CD2 4.07Å; L91-L100 HydrophobicContact CG-CG 4.45Å
101P75.2Confident75.9Confident19 Ų1994.3 Ų94.312%0.12354%0.536CS..PPolyproline II helixtrans-60.7146.6169.230.6-34.9000107.6G90 F92 A103 Y106G90-P101 WeakPolarHBondContact O-CD 3.08Å; F92-P101 HydrophobicContact CD2-CB 3.56Å; F92-P101 VanDerWaalsContact CD2-CD 3.49Å; F92-P101 HydrophobicContact CD2-CG 3.82Å; F92-P101 HydrophobicContact CE2-CB 3.31Å; F92-P101 VanDerWaalsContact CE2-CD 3.45Å; F92-P101 HydrophobicContact CE2-CG 3.32Å; F92-P101 HydrophobicContact CZ-CB 4.14Å; F92-P101 HydrophobicContact CZ-CG 4.31Å; P101-A103 PolarHBondContact O-N 3.05Å; P101-Y106 HydrophobicContact CG-CE2 3.86Å
102P70.5Confident75.3Confident64 Ų6496.9 Ų96.942%0.41655%0.552SS.*PPolyproline II helixtrans-61.7128.9171.329.6-34.5000108.8Y104 M105P102-Y104 HydrophobicContact CB-CD1 3.5Å; P102-Y104 VanDerWaalsContact CB-CD1 3.5Å; P102-Y104 HydrophobicContact CB-CE1 3.23Å; P102-Y104 HydrophobicContact CG-CD1 3.91Å; P102-Y104 HydrophobicContact CG-CE1 3.23Å; P102-Y104 HydrophobicContact CG-CE2 4.44Å; P102-Y104 PolarHBondContact O-N 2.92Å; P102-M105 PolarHBondContact O-N 2.98Å
103A65.8Low74.6Confident82 Ų8296 Ų9668%0.67856%0.556SS**G310 helixtrans-58.3-13.7-170.200000114.4P101 M105 Y106P101-A103 PolarHBondContact O-N 3.05Å; A103-M105 PolarHBondContact O-N 2.76Å; A103-Y106 PolarHBondContact O-N 2.84Å
104Y64.9Low74Confident186 Ų18696.7 Ų96.773%0.72956%0.556SS**G310 helixtrans-68.1-9.3178.570.9-107000114.5P102P102-Y104 HydrophobicContact CB-CD1 3.5Å; P102-Y104 VanDerWaalsContact CB-CD1 3.5Å; P102-Y104 HydrophobicContact CB-CE1 3.23Å; P102-Y104 HydrophobicContact CG-CD1 3.91Å; P102-Y104 HydrophobicContact CG-CE1 3.23Å; P102-Y104 HydrophobicContact CG-CE2 4.44Å; P102-Y104 PolarHBondContact O-N 2.92Å
105M58.6Low73Confident142 Ų142100.5 Ų100.570%0.757%0.573SS**G310 helixtrans-88.6-8.2175.2-58.9-16791.600113.7P102 A103 G107P102-M105 PolarHBondContact O-N 2.98Å; A103-M105 PolarHBondContact O-N 2.76Å; M105-G107 PolarHBondContact O-N 3.37Å
106Y59.1Low72.2Confident164 Ų16492.7 Ų92.764%0.64355%0.545SS*.  trans-90.165.8166.3-61.8-81.9000108.3P101 A103P101-Y106 HydrophobicContact CG-CE2 3.86Å; A103-Y106 PolarHBondContact O-N 2.84Å
107G47.5Very low71.4Confident141 Ų14199.5 Ų99.5100%1.45458%0.579SS**  trans-72.30169.500000111.2M105M105-G107 PolarHBondContact O-N 3.37Å

Retrieved 107 of 107 residues in 258.5 ms (Link to these results)