A0A3Q0KU99_SCHMA Loading...

Glyco_hydro_65N domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KU99, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 124 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
1M65Low76.6Confident200 Ų200120.2 Ų120.299%0.98561%0.605SS**  0134.50-174.7168.478.900109.1I3 I123M1-I3 HydrophobicContact CE-CD1 3.97Å; M1-I3 HydrophobicContact CE-CG1 4.13Å; M1-I123 HydrophobicContact CE-CG2 3.52Å
2R72.4Confident76.3Confident204 Ų204112.5 Ų112.577%0.7757%0.565SS**  trans-117.9116.8176.5-176.3177.8-177.2175.84.2108.6
3I71.3Confident75.8Confident94 Ų94108.9 Ų108.948%0.48255%0.552SS.*  trans-94.8133.5-179.9-57.5153.6000108.4M1 L5 I123M1-I3 HydrophobicContact CE-CD1 3.97Å; M1-I3 HydrophobicContact CE-CG1 4.13Å; I3-L5 HydrophobicContact CG2-CD2 4.1Å; I3-I123 HydrophobicContact CD1-CD1 3.54Å; I3-I123 HydrophobicContact CD1-CG2 4.15Å; I3-I123 HydrophobicContact CG1-CD1 3.98Å; I3-I123 HydrophobicContact CG2-CD1 3.88Å
4R74.5Confident75.3Confident149 Ų149109.2 Ų109.256%0.56256%0.556SS**  trans-124.6126.6170.5-65.5-175.3-178.3-172.2-0.3107.9Q7R4-Q7 HydrophobicContact CB-CG 3.78Å
5L74.4Confident75.3Confident119 Ų119108.7 Ų108.762%0.62357%0.566SS**SBendtrans-91.6156.2178.5-58.3176.2000110.1I3 Q7I3-L5 HydrophobicContact CG2-CD2 4.1Å; L5-Q7 VanDerWaalsContact C-N 3.28Å; L5-Q7 PolarHBondContact O-N 3.06Å
6H76.2Confident75.7Confident185 Ų185104.8 Ų104.886%0.85654%0.542SS*.SBendtrans56.237.6175.1-47.1-65.4000114.1
7Q80.7Confident76.3Confident85 Ų85103.1 Ų103.140%0.39754%0.539SS..PPolyproline II helixtrans-80133.9169.8-62.8-67.6-87.400108.8R4 L5 Y115R4-Q7 HydrophobicContact CB-CG 3.78Å; L5-Q7 VanDerWaalsContact C-N 3.28Å; L5-Q7 PolarHBondContact O-N 3.06Å; Q7-Y115 HydrophobicContact CB-CD1 4.23Å; Q7-Y115 HydrophobicContact CB-CE1 4.1Å
8P84Confident77.2Confident102 Ų102102.9 Ų102.966%0.66253%0.534SS*.PPolyproline II helixtrans-64.4148173.128.7-34.1000110.1Y115P8-Y115 VanDerWaalsContact O-CD1 3.31Å; P8-Y115 WeakPolarHBondContact O-CD1 3.46Å; P8-Y115 WeakPolarHBondContact O-CE1 2.97Å
9Q84.6Confident78Confident39 Ų3998.5 Ų98.518%0.18251%0.51CS..PPolyproline II helixtrans-55.2146.2170.7-65.3-73.1-12.900110.3E101 T103 D117Q9-E101 PolarHBondContact OE1-OE1 3.1Å; Q9-T103 VanDerWaalsContact OE1-CB 3.32Å; Q9-T103 PolarHBondContact OE1-OG1 2.69Å; Q9-D117 WeakPolarHBondContact CG-OD2 3.37Å; Q9-D117 PolarHBondContact NE2-OD2 3.12Å
10P83Confident78.5Confident38 Ų38104.1 Ų104.125%0.24753%0.526CS..PPolyproline II helixtrans-60153.9167.729.4-34.8000109.8F12 T103 V105 Y115P10-F12 VanDerWaalsContact C-N 3.29Å; P10-F12 HydrophobicContact CG-CD2 4.43Å; P10-F12 PolarHBondContact O-N 2.72Å; P10-T103 HydrophobicContact CG-CG2 3.97Å; P10-V105 HydrophobicContact CG-CG2 4.05Å; P10-Y115 HydrophobicContact CG-CD2 4.41Å; P10-Y115 HydrophobicContact CG-CE2 4.29Å
11A76.4Confident79.1Confident107 Ų107100.6 Ų100.688%0.88452%0.516SS*.  trans-65.292.317300000109.4
12F73.7Confident80.4Confident28 Ų2894.4 Ų94.412%0.12349%0.493CS..  trans-97129.5175.8-130.9-105.1000109.1P10 Y16 M75 A84 K86 T103P10-F12 VanDerWaalsContact C-N 3.29Å; P10-F12 HydrophobicContact CG-CD2 4.43Å; P10-F12 PolarHBondContact O-N 2.72Å; F12-Y16 AromaticContact CD1-CD2 3.47Å; F12-Y16 HydrophobicContact CD1-CD2 3.47Å; F12-Y16 VanDerWaalsContact CD1-CD2 3.47Å; F12-Y16 AromaticContact CD1-CE2 3.9Å; F12-Y16 HydrophobicContact CD1-CE2 3.9Å; F12-Y16 HydrophobicContact CD2-CE2 4.42Å; F12-Y16 AromaticContact CE1-CD2 3.33Å; F12-Y16 HydrophobicContact CE1-CD2 3.33Å; F12-Y16 AromaticContact CE1-CE2 3.91Å; F12-Y16 HydrophobicContact CE1-CE2 3.91Å; F12-Y16 HydrophobicContact CE1-CG 4.18Å; F12-Y16 HydrophobicContact CE2-CE2 4.37Å; F12-Y16 HydrophobicContact CG-CD2 4.22Å; F12-Y16 HydrophobicContact CG-CE2 4.19Å; F12-Y16 AromaticContact CZ-CD2 3.95Å; F12-Y16 HydrophobicContact CZ-CD2 3.95Å; F12-Y16 HydrophobicContact CZ-CE2 4.17Å; F12-M75 HydrophobicContact CE1-CB 4.5Å; F12-A84 HydrophobicContact CD2-CB 4.46Å; F12-A84 HydrophobicContact CE2-CB 3.32Å; F12-A84 HydrophobicContact CZ-CB 3.78Å; F12-K86 HydrophobicContact CB-CD 3.99Å; F12-K86 HydrophobicContact CD1-CB 3.59Å; F12-K86 HydrophobicContact CD1-CD 3.47Å; F12-K86 VanDerWaalsContact CD1-CD 3.47Å; F12-K86 HydrophobicContact CD1-CG 4.15Å; F12-K86 HydrophobicContact CE1-CB 3.42Å; F12-K86 VanDerWaalsContact CE1-CB 3.42Å; F12-K86 HydrophobicContact CE1-CD 4.22Å; F12-K86 HydrophobicContact CE1-CG 4.44Å; F12-K86 HydrophobicContact CG-CB 4.23Å; F12-K86 HydrophobicContact CG-CD 3.88Å; F12-K86 HydrophobicContact CZ-CB 3.97Å; F12-T103 HydrophobicContact CD2-CG2 4.44Å; F12-T103 HydrophobicContact CE2-CG2 4.36Å
13T69.9Low81.4Confident66 Ų6689.5 Ų89.541%0.40548%0.475SS..  trans-87.1127.2171.659.20000109.4S15 Y16T13-S15 WeakPolarHBondContact CB-OG 3.41Å; T13-S15 PolarHBondContact O-N 2.93Å; T13-S15 PolarHBondContact OG1-OG 3.03Å; T13-S15 VanDerWaalsContact OG1-OG 3.1Å; T13-Y16 WeakPolarHBondContact O-CD2 3.35Å; T13-Y16 PolarHBondContact O-N 2.76Å; T13-Y16 WeakPolarHBondContact OG1-CD2 3.08Å; T13-Y16 WeakPolarHBondContact OG1-CE2 3.2Å; T13-Y16 VanDerWaalsContact OG1-CZ 3.26Å
14D68.6Low82.4Confident113 Ų11388.1 Ų88.160%0.60447%0.466SS*.THydrogen-bonded Turntrans-68.23.2177.1-59.3-38.2000113.3Y16 K86D14-Y16 VanDerWaalsContact C-N 3.26Å; D14-Y16 PolarHBondContact O-N 3.38Å; D14-K86 IonicContact OD1-NZ 3.06Å; D14-K86 PolarHBondContact OD1-NZ 3.43Å; D14-K86 VanDerWaalsContact OD1-NZ 3.09Å
15S74.3Confident83.3Confident102 Ų10281.3 Ų81.371%0.71344%0.441SS*.THydrogen-bonded Turntrans-78.1-4.7172.453.10000114.2T13T13-S15 WeakPolarHBondContact CB-OG 3.41Å; T13-S15 PolarHBondContact O-N 2.93Å; T13-S15 PolarHBondContact OG1-OG 3.03Å; T13-S15 VanDerWaalsContact OG1-OG 3.1Å
16Y82.5Confident84.3Confident45 Ų4579.9 Ų79.918%0.17644%0.437CS..SBendtrans-67.7145.8-179.8-71.7-55000112.2F12 T13 D14 K18 S77 E79F12-Y16 AromaticContact CD1-CD2 3.47Å; F12-Y16 HydrophobicContact CD1-CD2 3.47Å; F12-Y16 VanDerWaalsContact CD1-CD2 3.47Å; F12-Y16 AromaticContact CD1-CE2 3.9Å; F12-Y16 HydrophobicContact CD1-CE2 3.9Å; F12-Y16 HydrophobicContact CD2-CE2 4.42Å; F12-Y16 AromaticContact CE1-CD2 3.33Å; F12-Y16 HydrophobicContact CE1-CD2 3.33Å; F12-Y16 AromaticContact CE1-CE2 3.91Å; F12-Y16 HydrophobicContact CE1-CE2 3.91Å; F12-Y16 HydrophobicContact CE1-CG 4.18Å; F12-Y16 HydrophobicContact CE2-CE2 4.37Å; F12-Y16 HydrophobicContact CG-CD2 4.22Å; F12-Y16 HydrophobicContact CG-CE2 4.19Å; F12-Y16 AromaticContact CZ-CD2 3.95Å; F12-Y16 HydrophobicContact CZ-CD2 3.95Å; F12-Y16 HydrophobicContact CZ-CE2 4.17Å; T13-Y16 WeakPolarHBondContact O-CD2 3.35Å; T13-Y16 PolarHBondContact O-N 2.76Å; T13-Y16 WeakPolarHBondContact OG1-CD2 3.08Å; T13-Y16 WeakPolarHBondContact OG1-CE2 3.2Å; T13-Y16 VanDerWaalsContact OG1-CZ 3.26Å; D14-Y16 VanDerWaalsContact C-N 3.26Å; D14-Y16 PolarHBondContact O-N 3.38Å; Y16-K18 PolarHBondContact O-N 3.03Å; Y16-S77 WeakPolarHBondContact CE1-OG 3.42Å; Y16-S77 VanDerWaalsContact CE2-CB 3.48Å; Y16-S77 VanDerWaalsContact CZ-CB 3.44Å; Y16-S77 PolarHBondContact OH-OG 2.92Å; Y16-E79 WeakPolarHBondContact CE1-OE1 3.42Å; Y16-E79 PolarHBondContact OH-OE1 2.83Å
17P86.2Confident85.2Confident76 Ų7671.7 Ų71.749%0.49440%0.4SS..PPolyproline II helixtrans-61.9130.8-176.224.1-33.5000111.4M75 V76P17-M75 WeakPolarHBondContact O-CA 3.29Å; P17-V76 WeakPolarHBondContact CD-O 3.34Å; P17-V76 PolarHBondContact O-N 2.83Å
18K91.3Very high85.9Confident101 Ų10175.2 Ų75.244%0.43941%0.41SS..EExtended strand (participates in β ladder)trans-75.9141.9169.6-60.5-173.6-173.8-168.80110Y16 E73 T74 M75Y16-K18 PolarHBondContact O-N 3.03Å; K18-E73 VanDerWaalsContact CE-OE2 3.28Å; K18-E73 WeakPolarHBondContact CE-OE2 3.43Å; K18-E73 IonicContact NZ-OE2 3.11Å; K18-E73 PolarHBondContact NZ-OE2 2.85Å; K18-T74 WeakPolarHBondContact CA-O 3.43Å; K18-M75 HydrophobicContact CG-CG 3.98Å
19I92.5Very high86.5Confident18 Ų1871.3 Ų71.39%0.09238%0.383CS..EExtended strand (participates in β ladder)trans-112143175.964.5168000110.7Y23 I43 Y44 T74 V76I19-Y23 HydrophobicContact CG2-CD1 4.17Å; I19-Y23 HydrophobicContact CG2-CD2 4.41Å; I19-Y23 HydrophobicContact CG2-CG 3.87Å; I19-I43 HydrophobicContact CD1-CB 4.23Å; I19-I43 HydrophobicContact CD1-CG2 3.66Å; I19-Y44 WeakPolarHBondContact CD1-O 3.38Å; I19-T74 HydrophobicContact CD1-CG2 3.77Å; I19-T74 HydrophobicContact CG1-CG2 3.86Å; I19-T74 PolarHBondContact N-O 2.91Å; I19-V76 HydrophobicContact CD1-CG2 4.19Å; I19-V76 HydrophobicContact CG2-CG2 4.14Å
20Y88.7Confident87Confident210 Ų21074 Ų7482%0.82441%0.405SS*.SBendtrans-115.43.4-176.9-62.8-81.5000113.7
21G91.8Very high87.6Confident31 Ų3172.3 Ų72.332%0.3239%0.394SS..SBendtrans-164.4-139.3-179.300000110Y44 S45G21-Y44 CarbonylContact O-C 3.57Å; G21-S45 PolarHBondContact O-N 2.89Å
22S92Very high88.5Confident71 Ų7174.2 Ų74.250%0.49738%0.379SS..  trans-82.5136.1170.957.80000111.5I43S22-I43 CarbonylContact C-O 3.54Å; S22-I43 WeakPolarHBondContact CA-O 3.04Å
23Y92.3Very high89.4Confident101 Ų10174.9 Ų74.940%0.39638%0.381SS..EExtended strand (participates in β ladder)trans-130.4115.3177.7-178.6-110.8000109.6I19 V25 I43 V76I19-Y23 HydrophobicContact CG2-CD1 4.17Å; I19-Y23 HydrophobicContact CG2-CD2 4.41Å; I19-Y23 HydrophobicContact CG2-CG 3.87Å; Y23-V25 HydrophobicContact CD1-CB 4.39Å; Y23-V25 HydrophobicContact CE1-CB 4.05Å; Y23-V25 HydrophobicContact CE1-CG2 4.38Å; Y23-I43 PolarHBondContact N-O 3.25Å; Y23-I43 PolarHBondContact O-N 3.3Å; Y23-V76 HydrophobicContact CD1-CG1 4.47Å; Y23-V76 HydrophobicContact CD1-CG2 4.3Å; Y23-V76 HydrophobicContact CE1-CG1 4.3Å
24F93.3Very high90.3Very high65 Ų6580.7 Ų80.729%0.28540%0.397SS..EExtended strand (participates in β ladder)trans-85.5133.5175.4-70.3-92.1000110E40 V41 C42 Y56F24-E40 HydrophobicContact CB-CG 4.36Å; F24-E40 HydrophobicContact CD1-CG 4.11Å; F24-E40 WeakPolarHBondContact CD1-OE2 3.43Å; F24-V41 WeakPolarHBondContact CA-O 3.49Å; F24-C42 HydrophobicContact CD1-CB 3.79Å; F24-C42 HydrophobicContact CE1-CB 3.61Å; F24-C42 HydrophobicContact CG-CB 4.49Å; F24-C42 HydrophobicContact CZ-CB 4.15Å; F24-C42 VanDerWaalsContact CZ-SG 3.53Å; F24-Y56 HydrophobicContact CZ-CE1 4.15Å
25V93.2Very high91.3Very high6 Ų682.1 Ų82.14%0.03641%0.405CS..EExtended strand (participates in β ladder)trans-135129.4179.868.90000110.5Y23 P27 V41 I43 N78 L83Y23-V25 HydrophobicContact CD1-CB 4.39Å; Y23-V25 HydrophobicContact CE1-CB 4.05Å; Y23-V25 HydrophobicContact CE1-CG2 4.38Å; V25-P27 WeakPolarHBondContact O-CD 3.18Å; V25-V41 HydrophobicContact CG1-CB 3.86Å; V25-V41 HydrophobicContact CG1-CG1 4.45Å; V25-V41 PolarHBondContact N-O 2.88Å; V25-V41 PolarHBondContact O-N 2.99Å; V25-I43 HydrophobicContact CG1-CD1 3.64Å; V25-I43 HydrophobicContact CG1-CG1 4.35Å; V25-N78 HydrophobicContact CG2-CB 3.96Å; V25-N78 WeakPolarHBondContact CG2-ND2 3.48Å; V25-L83 HydrophobicContact CG1-CD1 3.84Å; V25-L83 HydrophobicContact CG1-CD2 3.88Å; V25-L83 HydrophobicContact CG2-CD1 4.11Å
26T94.9Very high92.2Very high89 Ų8978.9 Ų78.955%0.54638%0.381SS..  trans-85.7114.6163.7-52.60000107.9N78T26-N78 PolarHBondContact O-ND2 3.34Å
27P95.4Very high92.8Very high12 Ų1279.5 Ų79.58%0.07839%0.387CS..  trans-58.1143.4176-16.125.8000110.8V25 F29 F31 V41 N78 L83V25-P27 WeakPolarHBondContact O-CD 3.18Å; P27-F29 HydrophobicContact CB-CD1 4.38Å; P27-F29 HydrophobicContact CB-CD2 4.48Å; P27-F29 HydrophobicContact CB-CE1 4.09Å; P27-F29 HydrophobicContact CB-CE2 4.27Å; P27-F29 HydrophobicContact CB-CZ 4.06Å; P27-F29 PolarHBondContact O-N 2.9Å; P27-F29 VanDerWaalsContact O-N 3.12Å; P27-F31 HydrophobicContact CG-CD1 4.34Å; P27-F31 HydrophobicContact CG-CE1 3.83Å; P27-V41 HydrophobicContact CG-CG2 4Å; P27-N78 WeakPolarHBondContact CA-OD1 3.28Å; P27-L83 HydrophobicContact CG-CD2 4.33Å
28R96.2Very high93.2Very high159 Ų15976 Ų7660%0.636%0.364SS*.SBendtrans-72.21.2176.7-67.9-174.8176.6164.22.3114.2N78 E79R28-N78 VanDerWaalsContact CD-O 3.24Å; R28-N78 WeakPolarHBondContact CD-O 3.31Å; R28-N78 VanDerWaalsContact CZ-O 3.26Å; R28-N78 PolarHBondContact N-OD1 2.9Å; R28-N78 VanDerWaalsContact N-OD1 3.11Å; R28-N78 PolarHBondContact NE-O 3.32Å; R28-N78 PolarHBondContact NH1-O 3.22Å; R28-E79 IonicContact NH1-OE2 3.14Å; R28-E79 PolarHBondContact NH1-OE2 3.01Å
29F96.4Very high93.3Very high21 Ų2176.3 Ų76.39%0.09237%0.367CS..SBendtrans-133.315617853.5-87.9000110.2P27 F31 E79 E80 L83 I106 P108P27-F29 HydrophobicContact CB-CD1 4.38Å; P27-F29 HydrophobicContact CB-CD2 4.48Å; P27-F29 HydrophobicContact CB-CE1 4.09Å; P27-F29 HydrophobicContact CB-CE2 4.27Å; P27-F29 HydrophobicContact CB-CZ 4.06Å; P27-F29 PolarHBondContact O-N 2.9Å; P27-F29 VanDerWaalsContact O-N 3.12Å; F29-F31 HydrophobicContact CD2-CB 4.11Å; F29-F31 HydrophobicContact CD2-CD1 4.19Å; F29-F31 HydrophobicContact CE2-CB 4.06Å; F29-F31 AromaticContact CE2-CD1 3.76Å; F29-F31 HydrophobicContact CE2-CD1 3.76Å; F29-F31 HydrophobicContact CE2-CG 4.12Å; F29-E79 WeakPolarHBondContact CD1-O 3.46Å; F29-E80 WeakPolarHBondContact CB-O 3.46Å; F29-E80 WeakPolarHBondContact CD1-O 3.42Å; F29-L83 HydrophobicContact CE1-CB 4Å; F29-L83 VanDerWaalsContact CE1-N 3.26Å; F29-L83 HydrophobicContact CZ-CB 3.77Å; F29-L83 VanDerWaalsContact CZ-N 3.35Å; F29-I106 HydrophobicContact CE2-CG2 4.35Å; F29-I106 HydrophobicContact CZ-CG2 4.5Å; F29-I106 WeakPolarHBondContact CZ-O 3.04Å; F29-P108 HydrophobicContact CB-CB 4.24Å; F29-P108 HydrophobicContact CB-CG 3.91Å; F29-P108 HydrophobicContact CD1-CG 4.4Å; F29-P108 HydrophobicContact CD2-CB 4.05Å; F29-P108 HydrophobicContact CD2-CG 3.89Å; F29-P108 HydrophobicContact CG-CB 4.29Å; F29-P108 HydrophobicContact CG-CG 3.79Å
30S95.4Very high93.5Very high94 Ų9477.2 Ų77.266%0.65737%0.371SS*.  trans-84.3136.1168.9-63.30000110
31F95.7Very high93.8Very high4 Ų467.2 Ų67.22%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-142.1158.1170.177.5-77.4000110.7P27 F29 F33 I38 V41 L51 I106 P108P27-F31 HydrophobicContact CG-CD1 4.34Å; P27-F31 HydrophobicContact CG-CE1 3.83Å; F29-F31 HydrophobicContact CD2-CB 4.11Å; F29-F31 HydrophobicContact CD2-CD1 4.19Å; F29-F31 HydrophobicContact CE2-CB 4.06Å; F29-F31 AromaticContact CE2-CD1 3.76Å; F29-F31 HydrophobicContact CE2-CD1 3.76Å; F29-F31 HydrophobicContact CE2-CG 4.12Å; F31-F33 HydrophobicContact CE2-CB 4.47Å; F31-I38 HydrophobicContact CD1-CB 4.39Å; F31-I38 HydrophobicContact CD2-CG1 4.5Å; F31-I38 HydrophobicContact CE1-CB 3.73Å; F31-I38 HydrophobicContact CE1-CG1 4.48Å; F31-I38 HydrophobicContact CE1-CG2 3.83Å; F31-I38 HydrophobicContact CE2-CB 3.99Å; F31-I38 HydrophobicContact CE2-CG1 3.83Å; F31-I38 HydrophobicContact CE2-CG2 4.42Å; F31-I38 HydrophobicContact CZ-CB 3.52Å; F31-I38 HydrophobicContact CZ-CG1 3.83Å; F31-I38 HydrophobicContact CZ-CG2 3.57Å; F31-I38 PolarHBondContact O-N 2.79Å; F31-V41 HydrophobicContact CE1-CG2 4.39Å; F31-V41 HydrophobicContact CZ-CG2 4.34Å; F31-L51 HydrophobicContact CZ-CD2 4.15Å; F31-I106 HydrophobicContact CD1-CG2 4.31Å; F31-I106 HydrophobicContact CD2-CG2 3.78Å; F31-I106 HydrophobicContact CE1-CG2 4.21Å; F31-I106 HydrophobicContact CE2-CG2 3.66Å; F31-I106 HydrophobicContact CG-CG2 4.1Å; F31-I106 HydrophobicContact CZ-CD1 4.37Å; F31-I106 HydrophobicContact CZ-CG2 3.88Å; F31-P108 WeakPolarHBondContact CB-O 2.96Å
32R94.6Very high93.9Very high147 Ų14765.8 Ų65.856%0.55532%0.316SS*.EExtended strand (participates in β ladder)trans-111.1146.6173.8-68.9-177.3180-92.9-4.2110.9D35 T36 G110R32-D35 PolarHBondContact NH1-O 3.36Å; R32-T36 CarbonylContact C-O 3.53Å; R32-T36 WeakPolarHBondContact CA-O 3.5Å; R32-G110 WeakPolarHBondContact O-CA 3.19Å
33F91.5Very high94Very high41 Ų4162.4 Ų62.418%0.1829%0.293CS..EExtended strand (participates in β ladder)trans-126.7119.3169.3-172.4-111.3000108F31 D35 T36 I38 L51 F59 I112F31-F33 HydrophobicContact CE2-CB 4.47Å; F33-D35 PolarHBondContact O-N 3.48Å; F33-T36 PolarHBondContact N-O 2.88Å; F33-T36 WeakPolarHBondContact O-CB 3.18Å; F33-T36 PolarHBondContact O-N 3.23Å; F33-I38 HydrophobicContact CB-CD1 4.19Å; F33-I38 HydrophobicContact CB-CG1 3.9Å; F33-L51 HydrophobicContact CB-CD1 4.01Å; F33-L51 HydrophobicContact CD1-CD1 3.43Å; F33-L51 VanDerWaalsContact CD1-CD1 3.43Å; F33-L51 HydrophobicContact CD2-CD1 3.96Å; F33-L51 HydrophobicContact CE1-CD1 3.78Å; F33-L51 HydrophobicContact CE2-CD1 4.27Å; F33-L51 HydrophobicContact CG-CD1 3.53Å; F33-L51 HydrophobicContact CZ-CD1 4.18Å; F33-F59 HydrophobicContact CD1-CD1 4.1Å; F33-F59 AromaticContact CD1-CE1 3.89Å; F33-F59 HydrophobicContact CD1-CE1 3.89Å; F33-F59 VanDerWaalsContact O-CE1 3.28Å; F33-F59 WeakPolarHBondContact O-CE1 3.37Å; F33-I112 HydrophobicContact CD2-CD1 3.8Å; F33-I112 HydrophobicContact CE2-CD1 3.51Å
34Y89.6Confident94.1Very high189 Ų18961.3 Ų61.374%0.74129%0.288SS*.THydrogen-bonded Turntrans43.458.9-171.6-70.9-86000113T36Y34-T36 PolarHBondContact O-N 3.09Å
35D89.8Confident94Very high143 Ų14360.5 Ų60.577%0.76529%0.291SS*.THydrogen-bonded Turntrans60.80.7-179-59.7-38.6000116.7R32 F33R32-D35 PolarHBondContact NH1-O 3.36Å; F33-D35 PolarHBondContact O-N 3.48Å
36T93Very high93.9Very high34 Ų3463.3 Ų63.321%0.20931%0.305CS..EExtended strand (participates in β ladder)trans-96.1131.4177.8-62.90000110.5R32 F33 Y34 I38 R53 F59R32-T36 CarbonylContact C-O 3.53Å; R32-T36 WeakPolarHBondContact CA-O 3.5Å; F33-T36 PolarHBondContact N-O 2.88Å; F33-T36 WeakPolarHBondContact O-CB 3.18Å; F33-T36 PolarHBondContact O-N 3.23Å; Y34-T36 PolarHBondContact O-N 3.09Å; T36-I38 HydrophobicContact CG2-CD1 4.33Å; T36-I38 PolarHBondContact O-N 2.81Å; T36-R53 HydrophobicContact CG2-CG 3.6Å; T36-F59 VanDerWaalsContact CB-CZ 3.46Å; T36-F59 HydrophobicContact CG2-CD1 4.13Å; T36-F59 HydrophobicContact CG2-CD2 4.04Å; T36-F59 HydrophobicContact CG2-CE1 4.08Å; T36-F59 HydrophobicContact CG2-CE2 3.99Å; T36-F59 HydrophobicContact CG2-CG 4.11Å; T36-F59 HydrophobicContact CG2-CZ 4.02Å; T36-F59 WeakPolarHBondContact OG1-CE2 3.2Å; T36-F59 WeakPolarHBondContact OG1-CZ 3.05Å
37L95.1Very high93.8Very high57 Ų5759.1 Ų59.130%0.29828%0.28SS..EExtended strand (participates in β ladder)trans-71.5125.8173.4-178.761.9000109.1H39L37-H39 VanDerWaalsContact CD2-CE1 3.48Å; L37-H39 WeakPolarHBondContact CD2-CE1 3.31Å; L37-H39 WeakPolarHBondContact CD2-NE2 3.32Å
38I95.1Very high93.7Very high4 Ų460 Ų602%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-98.1126.1176.2-54.8-54.3000108.3F31 F33 T36 E40 V41 L51 F59F31-I38 HydrophobicContact CD1-CB 4.39Å; F31-I38 HydrophobicContact CD2-CG1 4.5Å; F31-I38 HydrophobicContact CE1-CB 3.73Å; F31-I38 HydrophobicContact CE1-CG1 4.48Å; F31-I38 HydrophobicContact CE1-CG2 3.83Å; F31-I38 HydrophobicContact CE2-CB 3.99Å; F31-I38 HydrophobicContact CE2-CG1 3.83Å; F31-I38 HydrophobicContact CE2-CG2 4.42Å; F31-I38 HydrophobicContact CZ-CB 3.52Å; F31-I38 HydrophobicContact CZ-CG1 3.83Å; F31-I38 HydrophobicContact CZ-CG2 3.57Å; F31-I38 PolarHBondContact O-N 2.79Å; F33-I38 HydrophobicContact CB-CD1 4.19Å; F33-I38 HydrophobicContact CB-CG1 3.9Å; T36-I38 HydrophobicContact CG2-CD1 4.33Å; T36-I38 PolarHBondContact O-N 2.81Å; I38-E40 WeakPolarHBondContact CG2-O 3.32Å; I38-V41 HydrophobicContact CG2-CG2 4.18Å; I38-L51 HydrophobicContact CD1-CB 4.05Å; I38-L51 HydrophobicContact CG1-CB 4.39Å; I38-L51 HydrophobicContact CG2-CB 4.24Å; I38-F59 HydrophobicContact CD1-CD1 3.89Å
39H93.9Very high93.7Very high106 Ų10652.5 Ų52.549%0.49126%0.256SS..  trans-100.5-34.8-177.5-73.8-77.8000112.3L37 T52 R53L37-H39 VanDerWaalsContact CD2-CE1 3.48Å; L37-H39 WeakPolarHBondContact CD2-CE1 3.31Å; L37-H39 WeakPolarHBondContact CD2-NE2 3.32Å; H39-T52 PolarHBondContact N-O 3.12Å; H39-R53 WeakPolarHBondContact CB-O 3.32Å; H39-R53 PolarHBondContact CD2-O 2.84Å
40E94.9Very high93.6Very high38 Ų3853.7 Ų53.718%0.17826%0.263CS..EExtended strand (participates in β ladder)trans-141.3154.9-176.8-175.3173-104.800109.4F24 I38 T52F24-E40 HydrophobicContact CB-CG 4.36Å; F24-E40 HydrophobicContact CD1-CG 4.11Å; F24-E40 WeakPolarHBondContact CD1-OE2 3.43Å; I38-E40 WeakPolarHBondContact CG2-O 3.32Å; E40-T52 VanDerWaalsContact C-OG1 3.25Å; E40-T52 WeakPolarHBondContact CB-OG1 3.42Å; E40-T52 PolarHBondContact N-O 3.11Å; E40-T52 PolarHBondContact O-N 2.9Å; E40-T52 VanDerWaalsContact O-O 3.11Å; E40-T52 PolarHBondContact O-OG1 2.81Å
41V95Very high93.6Very high0 Ų049.2 Ų49.20%023%0.232CC..EExtended strand (participates in β ladder)trans-129.1129.6177.8-178.60000108F24 V25 P27 F31 I38 I43 I49 L50 L51 L83F24-V41 WeakPolarHBondContact CA-O 3.49Å; V25-V41 HydrophobicContact CG1-CB 3.86Å; V25-V41 HydrophobicContact CG1-CG1 4.45Å; V25-V41 PolarHBondContact N-O 2.88Å; V25-V41 PolarHBondContact O-N 2.99Å; P27-V41 HydrophobicContact CG-CG2 4Å; F31-V41 HydrophobicContact CE1-CG2 4.39Å; F31-V41 HydrophobicContact CZ-CG2 4.34Å; I38-V41 HydrophobicContact CG2-CG2 4.18Å; V41-I43 HydrophobicContact CG1-CG1 4.01Å; V41-I49 HydrophobicContact CG1-CB 4.49Å; V41-I49 HydrophobicContact CG1-CG2 3.1Å; V41-L50 CarbonylContact C-O 3.55Å; V41-L50 VanDerWaalsContact CA-O 3.31Å; V41-L50 WeakPolarHBondContact CA-O 3.08Å; V41-L50 WeakPolarHBondContact CG1-O 3.39Å; V41-L51 HydrophobicContact CG1-CD2 4.42Å; V41-L51 HydrophobicContact CG2-CD2 4.2Å; V41-L83 HydrophobicContact CB-CD2 4.04Å; V41-L83 HydrophobicContact CG1-CD2 4.11Å; V41-L83 HydrophobicContact CG2-CD2 3.91Å
42C94.8Very high93.5Very high0 Ų049 Ų490%023%0.231CC..EExtended strand (participates in β ladder)trans-101.1119.3173.1-170.60000109F24 I49 L50F24-C42 HydrophobicContact CD1-CB 3.79Å; F24-C42 HydrophobicContact CE1-CB 3.61Å; F24-C42 HydrophobicContact CG-CB 4.49Å; F24-C42 HydrophobicContact CZ-CB 4.15Å; F24-C42 VanDerWaalsContact CZ-SG 3.53Å; C42-I49 CarbonylContact O-C 3.58Å; C42-L50 HydrophobicContact CB-CB 4.18Å; C42-L50 PolarHBondContact N-O 2.88Å; C42-L50 PolarHBondContact O-N 2.88Å
43I94.7Very high93.3Very high0 Ų046.9 Ų46.90%022%0.223CC..EExtended strand (participates in β ladder)trans-109.7125.7-177.4-55163.9000108.4I19 S22 Y23 V25 V41 N48 V76 V85I19-I43 HydrophobicContact CD1-CB 4.23Å; I19-I43 HydrophobicContact CD1-CG2 3.66Å; S22-I43 CarbonylContact C-O 3.54Å; S22-I43 WeakPolarHBondContact CA-O 3.04Å; Y23-I43 PolarHBondContact N-O 3.25Å; Y23-I43 PolarHBondContact O-N 3.3Å; V25-I43 HydrophobicContact CG1-CD1 3.64Å; V25-I43 HydrophobicContact CG1-CG1 4.35Å; V41-I43 HydrophobicContact CG1-CG1 4.01Å; I43-N48 CarbonylContact C-O 3.54Å; I43-N48 WeakPolarHBondContact CA-O 3.42Å; I43-V76 HydrophobicContact CD1-CB 4.33Å; I43-V76 HydrophobicContact CD1-CG1 3.56Å; I43-V76 HydrophobicContact CD1-CG2 3.74Å; I43-V76 HydrophobicContact CG2-CG2 4.1Å; I43-V85 HydrophobicContact CD1-CG2 3.68Å; I43-V85 HydrophobicContact CG1-CG2 4.1Å; I43-V85 HydrophobicContact CG2-CG1 3.8Å; I43-V85 HydrophobicContact CG2-CG2 3.97Å
44Y93.5Very high92.9Very high79 Ų7951 Ų5131%0.3124%0.243SC..  trans-92.3160.3176.2-72-93000111.4I19 G21 D46 G47 N48 L50I19-Y44 WeakPolarHBondContact CD1-O 3.38Å; G21-Y44 CarbonylContact O-C 3.57Å; Y44-D46 WeakPolarHBondContact CB-OD1 3.22Å; Y44-D46 PolarHBondContact O-N 2.98Å; Y44-G47 VanDerWaalsContact O-CA 3.28Å; Y44-G47 WeakPolarHBondContact O-CA 3.41Å; Y44-G47 PolarHBondContact O-N 3.25Å; Y44-N48 HydrophobicContact CD2-CB 4.34Å; Y44-N48 PolarHBondContact N-O 3.36Å; Y44-L50 HydrophobicContact CE2-CD1 3.56Å; Y44-L50 HydrophobicContact CE2-CG 3.88Å
45S92.1Very high92.2Very high48 Ų4844.8 Ų44.834%0.33623%0.23SC..THydrogen-bonded Turntrans-64.4-19.9178.553.40000113.6G21 G47 T74G21-S45 PolarHBondContact O-N 2.89Å; S45-G47 PolarHBondContact O-N 3.09Å; S45-T74 WeakPolarHBondContact O-CB 3.46Å; S45-T74 PolarHBondContact O-OG1 3.16Å
46D91Very high91.7Very high64 Ų6445.9 Ų45.934%0.34223%0.225SC..THydrogen-bonded Turntrans-82.59.4168.266.11.7000112.5Y44 N48 R87Y44-D46 WeakPolarHBondContact CB-OD1 3.22Å; Y44-D46 PolarHBondContact O-N 2.98Å; D46-N48 VanDerWaalsContact CG-ND2 3.34Å; D46-N48 PolarHBondContact O-N 2.79Å; D46-N48 VanDerWaalsContact OD1-CB 3.26Å; D46-N48 WeakPolarHBondContact OD1-CB 3.43Å; D46-N48 PolarHBondContact OD1-N 3.34Å; D46-N48 PolarHBondContact OD1-ND2 2.83Å; D46-N48 PolarHBondContact OD2-ND2 2.92Å; D46-R87 PolarHBondContact O-NE 3.01Å; D46-R87 VanDerWaalsContact O-NE 3.12Å; D46-R87 PolarHBondContact O-NH1 2.81Å; D46-R87 PolarHBondContact O-NH2 2.73Å
47G92.2Very high91.5Very high2 Ų246.2 Ų46.22%0.02123%0.225CC..  trans67.510.4-179.200000115.6Y44 S45 I49Y44-G47 VanDerWaalsContact O-CA 3.28Å; Y44-G47 WeakPolarHBondContact O-CA 3.41Å; Y44-G47 PolarHBondContact O-N 3.25Å; S45-G47 PolarHBondContact O-N 3.09Å; G47-I49 WeakPolarHBondContact O-CG1 3.38Å
48N93.5Very high91.2Very high30 Ų3048.9 Ų48.916%0.1623%0.232CC..  trans-64136.6168-77.3-32.4000110.5I43 Y44 D46 E63I43-N48 CarbonylContact C-O 3.54Å; I43-N48 WeakPolarHBondContact CA-O 3.42Å; Y44-N48 HydrophobicContact CD2-CB 4.34Å; Y44-N48 PolarHBondContact N-O 3.36Å; D46-N48 VanDerWaalsContact CG-ND2 3.34Å; D46-N48 PolarHBondContact O-N 2.79Å; D46-N48 VanDerWaalsContact OD1-CB 3.26Å; D46-N48 WeakPolarHBondContact OD1-CB 3.43Å; D46-N48 PolarHBondContact OD1-N 3.34Å; D46-N48 PolarHBondContact OD1-ND2 2.83Å; D46-N48 PolarHBondContact OD2-ND2 2.92Å; N48-E63 WeakPolarHBondContact OD1-CA 3.36Å; N48-E63 WeakPolarHBondContact OD1-CB 3.41Å; N48-E63 VanDerWaalsContact OD1-CG 3.22Å; N48-E63 WeakPolarHBondContact OD1-CG 3.4Å
49I95.4Very high91.1Very high1 Ų152 Ų521%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-119.3111.4-175.6-51.8-179.1000108.1V41 C42 G47 L51 G61 I62 V85 I106V41-I49 HydrophobicContact CG1-CB 4.49Å; V41-I49 HydrophobicContact CG1-CG2 3.1Å; C42-I49 CarbonylContact O-C 3.58Å; G47-I49 WeakPolarHBondContact O-CG1 3.38Å; I49-L51 HydrophobicContact CG2-CD2 4.2Å; I49-G61 CarbonylContact O-C 3.47Å; I49-G61 WeakPolarHBondContact O-CA 3.26Å; I49-I62 HydrophobicContact CB-CB 4.11Å; I49-I62 HydrophobicContact CG2-CD1 4.47Å; I49-I62 PolarHBondContact N-O 2.76Å; I49-I62 PolarHBondContact O-N 2.83Å; I49-V85 HydrophobicContact CD1-CB 3.95Å; I49-V85 HydrophobicContact CD1-CG2 3.55Å; I49-V85 HydrophobicContact CG1-CG2 4.04Å; I49-I106 HydrophobicContact CG2-CD1 4.38Å
50L95.2Very high91Very high46 Ų4648 Ų4824%0.24123%0.234CC..EExtended strand (participates in β ladder)trans-92.8130.8170.5-59-177.4000110.1V41 C42 Y44 Y58V41-L50 CarbonylContact C-O 3.55Å; V41-L50 VanDerWaalsContact CA-O 3.31Å; V41-L50 WeakPolarHBondContact CA-O 3.08Å; V41-L50 WeakPolarHBondContact CG1-O 3.39Å; C42-L50 HydrophobicContact CB-CB 4.18Å; C42-L50 PolarHBondContact N-O 2.88Å; C42-L50 PolarHBondContact O-N 2.88Å; Y44-L50 HydrophobicContact CE2-CD1 3.56Å; Y44-L50 HydrophobicContact CE2-CG 3.88Å; L50-Y58 HydrophobicContact CB-CD1 4.12Å; L50-Y58 HydrophobicContact CB-CE1 4.41Å; L50-Y58 HydrophobicContact CD1-CD1 3.61Å; L50-Y58 HydrophobicContact CD1-CE1 3.43Å; L50-Y58 VanDerWaalsContact CD1-CE1 3.43Å; L50-Y58 HydrophobicContact CG-CD1 4.44Å
51L95.2Very high90.9Very high0 Ų048.4 Ų48.40%025%0.248CC..EExtended strand (participates in β ladder)trans-93.9121.2176.3-52.3179.5000108.4F31 F33 I38 V41 I49 F59 G60 I62 I106F31-L51 HydrophobicContact CZ-CD2 4.15Å; F33-L51 HydrophobicContact CB-CD1 4.01Å; F33-L51 HydrophobicContact CD1-CD1 3.43Å; F33-L51 VanDerWaalsContact CD1-CD1 3.43Å; F33-L51 HydrophobicContact CD2-CD1 3.96Å; F33-L51 HydrophobicContact CE1-CD1 3.78Å; F33-L51 HydrophobicContact CE2-CD1 4.27Å; F33-L51 HydrophobicContact CG-CD1 3.53Å; F33-L51 HydrophobicContact CZ-CD1 4.18Å; I38-L51 HydrophobicContact CD1-CB 4.05Å; I38-L51 HydrophobicContact CG1-CB 4.39Å; I38-L51 HydrophobicContact CG2-CB 4.24Å; V41-L51 HydrophobicContact CG1-CD2 4.42Å; V41-L51 HydrophobicContact CG2-CD2 4.2Å; I49-L51 HydrophobicContact CG2-CD2 4.2Å; L51-F59 PolarHBondContact O-N 3.22Å; L51-G60 PolarHBondContact N-O 2.87Å; L51-G60 PolarHBondContact O-N 2.99Å; L51-I62 HydrophobicContact CD2-CD1 4.3Å; L51-I106 HydrophobicContact CD2-CD1 4.19Å
52T93.4Very high90.7Very high0 Ų049.1 Ų49.10%025%0.252CS..EExtended strand (participates in β ladder)trans-122.2138-17560.50000111.8H39 E40 E54 D57 Y58H39-T52 PolarHBondContact N-O 3.12Å; E40-T52 VanDerWaalsContact C-OG1 3.25Å; E40-T52 WeakPolarHBondContact CB-OG1 3.42Å; E40-T52 PolarHBondContact N-O 3.11Å; E40-T52 PolarHBondContact O-N 2.9Å; E40-T52 VanDerWaalsContact O-O 3.11Å; E40-T52 PolarHBondContact O-OG1 2.81Å; T52-E54 WeakPolarHBondContact CB-O 3.39Å; T52-D57 CarbonylContact C-O 3.59Å; T52-D57 WeakPolarHBondContact CA-O 3.5Å; T52-D57 WeakPolarHBondContact CB-O 3.37Å; T52-Y58 HydrophobicContact CG2-CD1 3.75Å; T52-Y58 HydrophobicContact CG2-CE1 4.13Å
53R90.2Very high90.5Very high103 Ų10355.2 Ų55.239%0.38928%0.28SS..EExtended strand (participates in β ladder)trans-77.1-29.9174.6-68.9173.1-69.5-166.80111.4T36 H39 D57 F59T36-R53 HydrophobicContact CG2-CG 3.6Å; H39-R53 WeakPolarHBondContact CB-O 3.32Å; H39-R53 PolarHBondContact CD2-O 2.84Å; R53-D57 WeakPolarHBondContact CB-OD2 3.45Å; R53-D57 IonicContact CZ-OD1 3.61Å; R53-D57 IonicContact CZ-OD2 2.69Å; R53-D57 PolarHBondContact N-O 3.02Å; R53-D57 IonicContact NE-OD1 3.48Å; R53-D57 IonicContact NE-OD2 2.72Å; R53-D57 PolarHBondContact NE-OD2 3.41Å; R53-D57 VanDerWaalsContact NH2-CG 3.31Å; R53-D57 IonicContact NH2-OD1 3.46Å; R53-D57 PolarHBondContact NH2-OD1 2.9Å; R53-D57 IonicContact NH2-OD2 3.56Å; R53-D57 PolarHBondContact NH2-OD2 3Å; R53-F59 HydrophobicContact CG-CB 4.12Å; R53-F59 HydrophobicContact CG-CG 4.43Å
54E82.4Confident89.9Confident128 Ų12856 Ų5660%0.59828%0.284SS*.EExtended strand (participates in β ladder)trans-153.6168.1172.452.8-177.9-176.400107.8T52 Y56 D57T52-E54 WeakPolarHBondContact CB-O 3.39Å; E54-Y56 PolarHBondContact O-N 2.95Å; E54-Y56 VanDerWaalsContact O-N 3.09Å; E54-D57 HydrophobicContact CB-CB 4.5Å; E54-D57 HydrophobicContact CG-CB 3.33Å; E54-D57 PolarHBondContact O-N 2.79Å
55A76.8Confident89.3Confident57 Ų5758.6 Ų58.647%0.47130%0.297SS..THydrogen-bonded Turntrans-52.3122.517900000110.2D57A55-D57 VanDerWaalsContact C-N 3.3Å; A55-D57 PolarHBondContact O-N 2.98Å
56Y77.6Confident88.8Confident166 Ų16657.1 Ų57.165%0.65129%0.288SS*.THydrogen-bonded Turntrans69.94.9-176.8-45.8-78.9000117.3F24 E54F24-Y56 HydrophobicContact CZ-CE1 4.15Å; E54-Y56 PolarHBondContact O-N 2.95Å; E54-Y56 VanDerWaalsContact O-N 3.09Å
57D89.9Confident88.4Confident42 Ų4261 Ų6123%0.22530%0.304CS..EExtended strand (participates in β ladder)trans-96.888.7169.8-178.120.3000111.3T52 R53 E54 A55T52-D57 CarbonylContact C-O 3.59Å; T52-D57 WeakPolarHBondContact CA-O 3.5Å; T52-D57 WeakPolarHBondContact CB-O 3.37Å; R53-D57 WeakPolarHBondContact CB-OD2 3.45Å; R53-D57 IonicContact CZ-OD1 3.61Å; R53-D57 IonicContact CZ-OD2 2.69Å; R53-D57 PolarHBondContact N-O 3.02Å; R53-D57 IonicContact NE-OD1 3.48Å; R53-D57 IonicContact NE-OD2 2.72Å; R53-D57 PolarHBondContact NE-OD2 3.41Å; R53-D57 VanDerWaalsContact NH2-CG 3.31Å; R53-D57 IonicContact NH2-OD1 3.46Å; R53-D57 PolarHBondContact NH2-OD1 2.9Å; R53-D57 IonicContact NH2-OD2 3.56Å; R53-D57 PolarHBondContact NH2-OD2 3Å; E54-D57 HydrophobicContact CB-CB 4.5Å; E54-D57 HydrophobicContact CG-CB 3.33Å; E54-D57 PolarHBondContact O-N 2.79Å; A55-D57 VanDerWaalsContact C-N 3.3Å; A55-D57 PolarHBondContact O-N 2.98Å
58Y88.5Confident88.1Confident112 Ų11266.4 Ų66.444%0.43933%0.333SS..EExtended strand (participates in β ladder)trans-71.4125.6-177.9-54-72000111.9L50 T52L50-Y58 HydrophobicContact CB-CD1 4.12Å; L50-Y58 HydrophobicContact CB-CE1 4.41Å; L50-Y58 HydrophobicContact CD1-CD1 3.61Å; L50-Y58 HydrophobicContact CD1-CE1 3.43Å; L50-Y58 VanDerWaalsContact CD1-CE1 3.43Å; L50-Y58 HydrophobicContact CG-CD1 4.44Å; T52-Y58 HydrophobicContact CG2-CD1 3.75Å; T52-Y58 HydrophobicContact CG2-CE1 4.13Å
59F92.3Very high87.9Confident69 Ų6967.4 Ų67.430%0.30334%0.34SS..EExtended strand (participates in β ladder)trans-111.4-35.2178.8179.7-103.9000113.1F33 T36 I38 L51 R53F33-F59 HydrophobicContact CD1-CD1 4.1Å; F33-F59 AromaticContact CD1-CE1 3.89Å; F33-F59 HydrophobicContact CD1-CE1 3.89Å; F33-F59 VanDerWaalsContact O-CE1 3.28Å; F33-F59 WeakPolarHBondContact O-CE1 3.37Å; T36-F59 VanDerWaalsContact CB-CZ 3.46Å; T36-F59 HydrophobicContact CG2-CD1 4.13Å; T36-F59 HydrophobicContact CG2-CD2 4.04Å; T36-F59 HydrophobicContact CG2-CE1 4.08Å; T36-F59 HydrophobicContact CG2-CE2 3.99Å; T36-F59 HydrophobicContact CG2-CG 4.11Å; T36-F59 HydrophobicContact CG2-CZ 4.02Å; T36-F59 WeakPolarHBondContact OG1-CE2 3.2Å; T36-F59 WeakPolarHBondContact OG1-CZ 3.05Å; I38-F59 HydrophobicContact CD1-CD1 3.89Å; L51-F59 PolarHBondContact O-N 3.22Å; R53-F59 HydrophobicContact CG-CB 4.12Å; R53-F59 HydrophobicContact CG-CG 4.43Å
60G92.8Very high87.6Confident24 Ų2472.4 Ų72.425%0.24736%0.363CS..EExtended strand (participates in β ladder)trans-168.9-178.1179.600000111.8L51L51-G60 PolarHBondContact N-O 2.87Å; L51-G60 PolarHBondContact O-N 2.99Å
61G92.4Very high87.4Confident45 Ų4576.7 Ų76.746%0.46438%0.382SS..EExtended strand (participates in β ladder)trans-148.4154.2179.500000112.9I49I49-G61 CarbonylContact O-C 3.47Å; I49-G61 WeakPolarHBondContact O-CA 3.26Å
62I91.9Very high87.2Confident16 Ų1679.5 Ų79.58%0.08240%0.401CS..EExtended strand (participates in β ladder)trans-118.3117.5168.3-51.8161.7000105.6I49 L51 I106 I112 L114I49-I62 HydrophobicContact CB-CB 4.11Å; I49-I62 HydrophobicContact CG2-CD1 4.47Å; I49-I62 PolarHBondContact N-O 2.76Å; I49-I62 PolarHBondContact O-N 2.83Å; L51-I62 HydrophobicContact CD2-CD1 4.3Å; I62-I106 HydrophobicContact CD1-CD1 3.68Å; I62-I106 HydrophobicContact CD1-CG1 4.04Å; I62-I112 HydrophobicContact CD1-CD1 3.58Å; I62-I112 HydrophobicContact CD1-CG1 3.92Å; I62-I112 HydrophobicContact CD1-CG2 3.96Å; I62-I112 HydrophobicContact CG1-CD1 4Å; I62-I112 HydrophobicContact CG2-CG2 4.32Å; I62-L114 HydrophobicContact CG2-CD2 4.16Å
63E89.7Confident87.2Confident127 Ų12782.6 Ų82.659%0.59342%0.416SS*.  trans-115.8130.8-179.5170.6160.4-142.300109N48 F65N48-E63 WeakPolarHBondContact OD1-CA 3.36Å; N48-E63 WeakPolarHBondContact OD1-CB 3.41Å; N48-E63 VanDerWaalsContact OD1-CG 3.22Å; N48-E63 WeakPolarHBondContact OD1-CG 3.4Å; E63-F65 HydrophobicContact CG-CD1 4.06Å
64N81.2Confident87.4Confident16 Ų1677.8 Ų77.89%0.08640%0.398CS..  trans-134.7111.1171.8-85.2-57000108.6R87 M102 S104 L114 F116N64-R87 PolarHBondContact O-NH1 3.31Å; N64-R87 VanDerWaalsContact O-NH1 3.1Å; N64-M102 HydrophobicContact CB-SD 4.2Å; N64-S104 PolarHBondContact ND2-OG 3.49Å; N64-L114 WeakPolarHBondContact ND2-CD2 3.44Å; N64-F116 WeakPolarHBondContact OD1-CZ 3.43Å
65F81.1Confident87.9Confident134 Ų13471.8 Ų71.859%0.58837%0.37SS*.  trans-117.7145.3-178.765.1-89.2000111.2E63E63-F65 HydrophobicContact CG-CD1 4.06Å
66A81.8Confident88.7Confident18 Ų1869.3 Ų69.315%0.14935%0.349CS..  trans-108.7147.9166.800000108.9V69 F89 I91 M102 V119A66-V69 HydrophobicContact CB-CG2 3.58Å; A66-V69 WeakPolarHBondContact O-CG2 3.28Å; A66-F89 HydrophobicContact CB-CD2 4.02Å; A66-F89 HydrophobicContact CB-CE2 3.61Å; A66-F89 HydrophobicContact CB-CZ 3.98Å; A66-I91 HydrophobicContact CB-CG2 4.32Å; A66-M102 HydrophobicContact CB-CE 3.69Å; A66-V119 HydrophobicContact CB-CG1 4.34Å
67Q83.7Confident89.5Confident144 Ų14461.5 Ų61.567%0.67332%0.319SS*.SBendtrans-88.8157.7171.4-65.5-175.7-10.800110.4V69Q67-V69 PolarHBondContact O-N 2.75Å
68N86Confident89.7Confident116 Ų11661.1 Ų61.162%0.6232%0.317SS*.SBendtrans57.332176.9-52.5-31.2000114.4Q70 I91 N92N68-Q70 PolarHBondContact O-N 3.37Å; N68-I91 WeakPolarHBondContact O-CA 3.21Å; N68-N92 PolarHBondContact O-N 3.1Å
69V88.3Confident90Very high52 Ų5259 Ų5932%0.31531%0.311SS..EExtended strand (participates in β ladder)trans-71123.1175.5178.10000109.1A66 Q67 E71 F89 I91A66-V69 HydrophobicContact CB-CG2 3.58Å; A66-V69 WeakPolarHBondContact O-CG2 3.28Å; Q67-V69 PolarHBondContact O-N 2.75Å; V69-E71 WeakPolarHBondContact CG1-O 3.36Å; V69-F89 HydrophobicContact CG1-CB 4.13Å; V69-I91 HydrophobicContact CG2-CG2 4.19Å
70Q88.3Confident90Very high105 Ų10562.5 Ų62.549%0.49133%0.328SS..EExtended strand (participates in β ladder)trans-92.6-45.3170.8-66.9-171-1.400111.3N68 L90 N92 D97N68-Q70 PolarHBondContact O-N 3.37Å; Q70-L90 PolarHBondContact N-O 3.13Å; Q70-N92 PolarHBondContact NE2-ND2 2.92Å; Q70-D97 PolarHBondContact NE2-OD1 3.12Å; Q70-D97 VanDerWaalsContact NE2-OD1 3.15Å; Q70-D97 PolarHBondContact OE1-OD1 2.79Å
71E91.4Very high90.1Very high136 Ų13668 Ų6864%0.63635%0.347SS*.EExtended strand (participates in β ladder)trans-136144.3-179.4-64-175.4-176.200109.3V69 F89 L90V69-E71 WeakPolarHBondContact CG1-O 3.36Å; E71-F89 CarbonylContact O-C 3.59Å; E71-F89 WeakPolarHBondContact O-CA 3.45Å; E71-F89 VanDerWaalsContact O-CB 3.22Å; E71-F89 WeakPolarHBondContact O-CB 3.47Å; E71-L90 HydrophobicContact CB-CB 4.21Å; E71-L90 PolarHBondContact O-N 3.12Å
72S91.6Very high90.2Very high59 Ų5967.4 Ų67.441%0.41334%0.336SS..EExtended strand (participates in β ladder)trans-147145.7172.270.40000111.8R87 N88S72-R87 PolarHBondContact OG-NH2 2.9Å; S72-N88 CarbonylContact C-O 3.59Å; S72-N88 VanDerWaalsContact CA-O 3.31Å; S72-N88 WeakPolarHBondContact CA-O 3.18Å
73E93.3Very high90.4Very high66 Ų6666.7 Ų66.731%0.30833%0.333SS..EExtended strand (participates in β ladder)trans-123.7144.116857.3178-162.300109.6K18 R87 N88K18-E73 VanDerWaalsContact CE-OE2 3.28Å; K18-E73 WeakPolarHBondContact CE-OE2 3.43Å; K18-E73 IonicContact NZ-OE2 3.11Å; K18-E73 PolarHBondContact NZ-OE2 2.85Å; E73-R87 VanDerWaalsContact O-CA 3.26Å; E73-R87 WeakPolarHBondContact O-CA 3.43Å; E73-N88 HydrophobicContact CG-CB 3.73Å; E73-N88 PolarHBondContact N-O 2.91Å; E73-N88 PolarHBondContact O-N 2.87Å; E73-N88 PolarHBondContact OE1-ND2 3.46Å
74T93.6Very high90.6Very high1 Ų160.8 Ų60.81%0.00631%0.305CS..EExtended strand (participates in β ladder)trans-123.1132.2179.3-62.70000109.3K18 I19 S45 V85 K86 R87K18-T74 WeakPolarHBondContact CA-O 3.43Å; I19-T74 HydrophobicContact CD1-CG2 3.77Å; I19-T74 HydrophobicContact CG1-CG2 3.86Å; I19-T74 PolarHBondContact N-O 2.91Å; S45-T74 WeakPolarHBondContact O-CB 3.46Å; S45-T74 PolarHBondContact O-OG1 3.16Å; T74-V85 HydrophobicContact CG2-CG1 3.67Å; T74-K86 CarbonylContact C-O 3.58Å; T74-K86 WeakPolarHBondContact CA-O 3.24Å; T74-R87 HydrophobicContact CG2-CG 4.36Å
75M94.1Very high91.2Very high2 Ų260.1 Ų60.11%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-125.1145-179.5-65.6167.9-75.900110F12 P17 K18 V85 K86 N88F12-M75 HydrophobicContact CE1-CB 4.5Å; P17-M75 WeakPolarHBondContact O-CA 3.29Å; K18-M75 HydrophobicContact CG-CG 3.98Å; M75-V85 WeakPolarHBondContact O-CA 3.32Å; M75-K86 HydrophobicContact CE-CB 4.35Å; M75-K86 HydrophobicContact CE-CD 3.74Å; M75-K86 HydrophobicContact CE-CG 3.87Å; M75-K86 PolarHBondContact N-O 2.86Å; M75-K86 PolarHBondContact O-N 3.24Å; M75-N88 WeakPolarHBondContact CE-ND2 3.46Å
76V94.3Very high91.8Very high5 Ų554.3 Ų54.33%0.0328%0.276CS..EExtended strand (participates in β ladder)trans-123.4128.6-176.6-176.80000110.8P17 I19 Y23 I43 L83 A84P17-V76 WeakPolarHBondContact CD-O 3.34Å; P17-V76 PolarHBondContact O-N 2.83Å; I19-V76 HydrophobicContact CD1-CG2 4.19Å; I19-V76 HydrophobicContact CG2-CG2 4.14Å; Y23-V76 HydrophobicContact CD1-CG1 4.47Å; Y23-V76 HydrophobicContact CD1-CG2 4.3Å; Y23-V76 HydrophobicContact CE1-CG1 4.3Å; I43-V76 HydrophobicContact CD1-CB 4.33Å; I43-V76 HydrophobicContact CD1-CG1 3.56Å; I43-V76 HydrophobicContact CD1-CG2 3.74Å; I43-V76 HydrophobicContact CG2-CG2 4.1Å; V76-L83 HydrophobicContact CG1-CD1 4.14Å; V76-A84 WeakPolarHBondContact CA-O 3.43Å
77S94.1Very high92.4Very high3 Ų354.3 Ų54.32%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-113.4126.7170.7175.50000109.4Y16 E79 L83 A84Y16-S77 WeakPolarHBondContact CE1-OG 3.42Å; Y16-S77 VanDerWaalsContact CE2-CB 3.48Å; Y16-S77 VanDerWaalsContact CZ-CB 3.44Å; Y16-S77 PolarHBondContact OH-OG 2.92Å; S77-E79 WeakPolarHBondContact OG-CG 3.19Å; S77-L83 CarbonylContact O-C 3.51Å; S77-L83 WeakPolarHBondContact O-CA 3.36Å; S77-L83 WeakPolarHBondContact O-CD1 3.48Å; S77-A84 PolarHBondContact N-O 2.66Å; S77-A84 PolarHBondContact O-N 3.28Å
78N94.1Very high92.7Very high33 Ų3348.7 Ų48.718%0.17625%0.247CC..EExtended strand (participates in β ladder)trans-126.184.7179.8-177.623000109.8V25 T26 P27 R28 L83V25-N78 HydrophobicContact CG2-CB 3.96Å; V25-N78 WeakPolarHBondContact CG2-ND2 3.48Å; T26-N78 PolarHBondContact O-ND2 3.34Å; P27-N78 WeakPolarHBondContact CA-OD1 3.28Å; R28-N78 VanDerWaalsContact CD-O 3.24Å; R28-N78 WeakPolarHBondContact CD-O 3.31Å; R28-N78 VanDerWaalsContact CZ-O 3.26Å; R28-N78 PolarHBondContact N-OD1 2.9Å; R28-N78 VanDerWaalsContact N-OD1 3.11Å; R28-N78 PolarHBondContact NE-O 3.32Å; R28-N78 PolarHBondContact NH1-O 3.22Å; N78-L83 HydrophobicContact CB-CD1 3.8Å
79E93.2Very high93Very high67 Ų6743.4 Ų43.431%0.31322%0.219SC..  trans-103.4171.1-178-52.7-59.1169.500111.3Y16 R28 F29 S77 E81 S82Y16-E79 WeakPolarHBondContact CE1-OE1 3.42Å; Y16-E79 PolarHBondContact OH-OE1 2.83Å; R28-E79 IonicContact NH1-OE2 3.14Å; R28-E79 PolarHBondContact NH1-OE2 3.01Å; F29-E79 WeakPolarHBondContact CD1-O 3.46Å; S77-E79 WeakPolarHBondContact OG-CG 3.19Å; E79-E81 VanDerWaalsContact C-N 3.26Å; E79-E81 PolarHBondContact O-N 3.5Å; E79-S82 PolarHBondContact N-O 2.94Å; E79-S82 PolarHBondContact O-N 3.3Å
80E93.8Very high93.1Very high144 Ų14443.2 Ų43.267%0.67322%0.216SC*.SBendtrans-61.5-32.5-178.4-63.8-175.4164.600113.2F29F29-E80 WeakPolarHBondContact CB-O 3.46Å; F29-E80 WeakPolarHBondContact CD1-O 3.42Å
81E94Very high93.2Very high139 Ų13938.8 Ų38.865%0.6520%0.195SC*.SBendtrans-108.8-2.1-174.5-66-63.4157.500113.6E79 P108E79-E81 VanDerWaalsContact C-N 3.26Å; E79-E81 PolarHBondContact O-N 3.5Å; E81-P108 WeakPolarHBondContact O-CD 3.31Å
82S94.7Very high93.1Very high33 Ų3334.2 Ų34.223%0.23118%0.175CC..  trans-165.8141.4179.258.90000113.6E79 I106E79-S82 PolarHBondContact N-O 2.94Å; E79-S82 PolarHBondContact O-N 3.3Å; S82-I106 VanDerWaalsContact CA-O 3.32Å; S82-I106 WeakPolarHBondContact CA-O 3.42Å
83L95.1Very high92.8Very high1 Ų134.6 Ų34.61%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-105.4126.3161.8176.472.6000106.8V25 P27 F29 V41 V76 S77 N78 I106V25-L83 HydrophobicContact CG1-CD1 3.84Å; V25-L83 HydrophobicContact CG1-CD2 3.88Å; V25-L83 HydrophobicContact CG2-CD1 4.11Å; P27-L83 HydrophobicContact CG-CD2 4.33Å; F29-L83 HydrophobicContact CE1-CB 4Å; F29-L83 VanDerWaalsContact CE1-N 3.26Å; F29-L83 HydrophobicContact CZ-CB 3.77Å; F29-L83 VanDerWaalsContact CZ-N 3.35Å; V41-L83 HydrophobicContact CB-CD2 4.04Å; V41-L83 HydrophobicContact CG1-CD2 4.11Å; V41-L83 HydrophobicContact CG2-CD2 3.91Å; V76-L83 HydrophobicContact CG1-CD1 4.14Å; S77-L83 CarbonylContact O-C 3.51Å; S77-L83 WeakPolarHBondContact O-CA 3.36Å; S77-L83 WeakPolarHBondContact O-CD1 3.48Å; N78-L83 HydrophobicContact CB-CD1 3.8Å; L83-I106 HydrophobicContact CB-CB 4.43Å; L83-I106 HydrophobicContact CD2-CD1 4.34Å; L83-I106 PolarHBondContact N-O 2.64Å; L83-I106 PolarHBondContact O-N 2.88Å
84A94.6Very high92.5Very high2 Ų238.4 Ų38.42%0.01720%0.197CC..EExtended strand (participates in β ladder)trans-138.1141.3-175.600000112.7F12 V76 S77 S104 V105F12-A84 HydrophobicContact CD2-CB 4.46Å; F12-A84 HydrophobicContact CE2-CB 3.32Å; F12-A84 HydrophobicContact CZ-CB 3.78Å; V76-A84 WeakPolarHBondContact CA-O 3.43Å; S77-A84 PolarHBondContact N-O 2.66Å; S77-A84 PolarHBondContact O-N 3.28Å; A84-S104 CarbonylContact C-O 3.54Å; A84-S104 WeakPolarHBondContact CA-O 3.26Å; A84-V105 HydrophobicContact CB-CB 4.47Å; A84-V105 HydrophobicContact CB-CG1 4.45Å; A84-V105 HydrophobicContact CB-CG2 3.97Å
85V94.6Very high92.2Very high2 Ų245.6 Ų45.61%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-122.8106.2-176.8-177.10000106.9I43 I49 T74 M75 T103 S104I43-V85 HydrophobicContact CD1-CG2 3.68Å; I43-V85 HydrophobicContact CG1-CG2 4.1Å; I43-V85 HydrophobicContact CG2-CG1 3.8Å; I43-V85 HydrophobicContact CG2-CG2 3.97Å; I49-V85 HydrophobicContact CD1-CB 3.95Å; I49-V85 HydrophobicContact CD1-CG2 3.55Å; I49-V85 HydrophobicContact CG1-CG2 4.04Å; T74-V85 HydrophobicContact CG2-CG1 3.67Å; M75-V85 WeakPolarHBondContact O-CA 3.32Å; V85-T103 CarbonylContact O-C 3.49Å; V85-T103 WeakPolarHBondContact O-CA 3.38Å; V85-S104 PolarHBondContact N-O 3.45Å; V85-S104 PolarHBondContact O-N 3Å
86K93.8Very high91.9Very high13 Ų1352.8 Ų52.86%0.05727%0.267CS..EExtended strand (participates in β ladder)trans-96.9134.5176.8177.5175.9171.3167.90108.9F12 D14 T74 M75 N88 E101 M102 T103F12-K86 HydrophobicContact CB-CD 3.99Å; F12-K86 HydrophobicContact CD1-CB 3.59Å; F12-K86 HydrophobicContact CD1-CD 3.47Å; F12-K86 VanDerWaalsContact CD1-CD 3.47Å; F12-K86 HydrophobicContact CD1-CG 4.15Å; F12-K86 HydrophobicContact CE1-CB 3.42Å; F12-K86 VanDerWaalsContact CE1-CB 3.42Å; F12-K86 HydrophobicContact CE1-CD 4.22Å; F12-K86 HydrophobicContact CE1-CG 4.44Å; F12-K86 HydrophobicContact CG-CB 4.23Å; F12-K86 HydrophobicContact CG-CD 3.88Å; F12-K86 HydrophobicContact CZ-CB 3.97Å; D14-K86 IonicContact OD1-NZ 3.06Å; D14-K86 PolarHBondContact OD1-NZ 3.43Å; D14-K86 VanDerWaalsContact OD1-NZ 3.09Å; T74-K86 CarbonylContact C-O 3.58Å; T74-K86 WeakPolarHBondContact CA-O 3.24Å; M75-K86 HydrophobicContact CE-CB 4.35Å; M75-K86 HydrophobicContact CE-CD 3.74Å; M75-K86 HydrophobicContact CE-CG 3.87Å; M75-K86 PolarHBondContact N-O 2.86Å; M75-K86 PolarHBondContact O-N 3.24Å; K86-N88 WeakPolarHBondContact CE-OD1 3.35Å; K86-E101 VanDerWaalsContact CE-OE1 3.3Å; K86-E101 WeakPolarHBondContact CE-OE1 3.35Å; K86-E101 VanDerWaalsContact CE-OE2 3.23Å; K86-E101 WeakPolarHBondContact CE-OE2 3.23Å; K86-E101 HydrophobicContact CG-CG 4.35Å; K86-E101 IonicContact NZ-OE1 2.64Å; K86-E101 PolarHBondContact NZ-OE1 3.15Å; K86-E101 IonicContact NZ-OE2 3.09Å; K86-E101 PolarHBondContact NZ-OE2 2.89Å; K86-E101 VanDerWaalsContact NZ-OE2 3.11Å; K86-M102 CarbonylContact C-O 3.52Å; K86-M102 WeakPolarHBondContact CA-O 3.3Å; K86-T103 HydrophobicContact CB-CG2 4.42Å
87R92.8Very high91.7Very high17 Ų1756.7 Ų56.76%0.06429%0.288CS..EExtended strand (participates in β ladder)trans-119.6126.8170.7-56.4-174.272.4-170.2-2.7108.7D46 N64 S72 E73 T74 F89 E101 M102D46-R87 PolarHBondContact O-NE 3.01Å; D46-R87 VanDerWaalsContact O-NE 3.12Å; D46-R87 PolarHBondContact O-NH1 2.81Å; D46-R87 PolarHBondContact O-NH2 2.73Å; N64-R87 PolarHBondContact O-NH1 3.31Å; N64-R87 VanDerWaalsContact O-NH1 3.1Å; S72-R87 PolarHBondContact OG-NH2 2.9Å; E73-R87 VanDerWaalsContact O-CA 3.26Å; E73-R87 WeakPolarHBondContact O-CA 3.43Å; T74-R87 HydrophobicContact CG2-CG 4.36Å; R87-F89 HydrophobicContact CB-CD1 3.88Å; R87-F89 HydrophobicContact CB-CE1 4.03Å; R87-E101 WeakPolarHBondContact O-CA 3.48Å; R87-M102 HydrophobicContact CB-CB 4.4Å; R87-M102 PolarHBondContact N-O 3.42Å; R87-M102 PolarHBondContact O-N 3.02Å
88N91.4Very high91.5Very high27 Ų2759 Ų5914%0.14430%0.301CS..EExtended strand (participates in β ladder)trans-103.8139.4162-59.5-36000107.4S72 E73 M75 K86S72-N88 CarbonylContact C-O 3.59Å; S72-N88 VanDerWaalsContact CA-O 3.31Å; S72-N88 WeakPolarHBondContact CA-O 3.18Å; E73-N88 HydrophobicContact CG-CB 3.73Å; E73-N88 PolarHBondContact N-O 2.91Å; E73-N88 PolarHBondContact O-N 2.87Å; E73-N88 PolarHBondContact OE1-ND2 3.46Å; M75-N88 WeakPolarHBondContact CE-ND2 3.46Å; K86-N88 WeakPolarHBondContact CE-OD1 3.35Å
89F91.3Very high91.4Very high5 Ų561.1 Ų61.12%0.02232%0.319CS..EExtended strand (participates in β ladder)trans-148.5150.7178.541.8-91.1000111.7A66 V69 E71 R87 I91 A100 M102 V119A66-F89 HydrophobicContact CB-CD2 4.02Å; A66-F89 HydrophobicContact CB-CE2 3.61Å; A66-F89 HydrophobicContact CB-CZ 3.98Å; V69-F89 HydrophobicContact CG1-CB 4.13Å; E71-F89 CarbonylContact O-C 3.59Å; E71-F89 WeakPolarHBondContact O-CA 3.45Å; E71-F89 VanDerWaalsContact O-CB 3.22Å; E71-F89 WeakPolarHBondContact O-CB 3.47Å; R87-F89 HydrophobicContact CB-CD1 3.88Å; R87-F89 HydrophobicContact CB-CE1 4.03Å; F89-I91 HydrophobicContact CD2-CG2 3.57Å; F89-I91 HydrophobicContact CE2-CG2 3.94Å; F89-A100 HydrophobicContact CD2-CB 3.62Å; F89-A100 HydrophobicContact CE2-CB 3.19Å; F89-A100 HydrophobicContact CZ-CB 3.92Å; F89-A100 PolarHBondContact N-O 3.44Å; F89-A100 PolarHBondContact O-N 3.26Å; F89-M102 HydrophobicContact CE1-CB 3.81Å; F89-M102 HydrophobicContact CE1-CE 4.4Å; F89-M102 HydrophobicContact CE1-CG 3.67Å; F89-M102 HydrophobicContact CE1-SD 3.84Å; F89-M102 HydrophobicContact CE2-CE 4.43Å; F89-M102 HydrophobicContact CZ-CB 4.23Å; F89-M102 HydrophobicContact CZ-CE 3.73Å; F89-M102 HydrophobicContact CZ-CG 3.6Å; F89-M102 HydrophobicContact CZ-SD 3.76Å; F89-V119 HydrophobicContact CE2-CG1 4.37Å; F89-V119 HydrophobicContact CE2-CG2 4.1Å; F89-V119 HydrophobicContact CZ-CG2 3.88Å
90L91.7Very high91.3Very high48 Ų4858 Ų5825%0.25131%0.305SS..EExtended strand (participates in β ladder)trans-95.2114171.1-157.984000107.3Q70 E71 D97Q70-L90 PolarHBondContact N-O 3.13Å; E71-L90 HydrophobicContact CB-CB 4.21Å; E71-L90 PolarHBondContact O-N 3.12Å; L90-D97 HydrophobicContact CD1-CB 4.05Å; L90-D97 HydrophobicContact CD2-CB 3.68Å; L90-D97 HydrophobicContact CG-CB 3.79Å
91I90.4Very high91.2Very high11 Ų1153 Ų536%0.05628%0.281CS..EExtended strand (participates in β ladder)trans-104.5143.917457.5174000110.8A66 N68 V69 F89 V93 D97 V98 A100A66-I91 HydrophobicContact CB-CG2 4.32Å; N68-I91 WeakPolarHBondContact O-CA 3.21Å; V69-I91 HydrophobicContact CG2-CG2 4.19Å; F89-I91 HydrophobicContact CD2-CG2 3.57Å; F89-I91 HydrophobicContact CE2-CG2 3.94Å; I91-V93 HydrophobicContact CD1-CG2 3.84Å; I91-V93 HydrophobicContact CG1-CG2 4.03Å; I91-D97 WeakPolarHBondContact O-CA 2.87Å; I91-V98 HydrophobicContact CG1-CB 4.06Å; I91-V98 WeakPolarHBondContact CG1-O 3.35Å; I91-V98 PolarHBondContact N-O 2.79Å; I91-V98 PolarHBondContact O-N 2.9Å; I91-A100 HydrophobicContact CD1-CB 4.06Å; I91-A100 HydrophobicContact CG1-CB 4.19Å
92N88.6Confident91Very high41 Ų4146.6 Ų46.622%0.21925%0.251CS..EExtended strand (participates in β ladder)trans-88.7122.8170.6-165.9-87.9000111.1N68 Q70 D95 K96 D97N68-N92 PolarHBondContact O-N 3.1Å; Q70-N92 PolarHBondContact NE2-ND2 2.92Å; N92-D95 PolarHBondContact OD1-N 3.48Å; N92-K96 WeakPolarHBondContact CA-O 3.41Å; N92-D97 PolarHBondContact ND2-OD1 3.4Å; N92-D97 VanDerWaalsContact ND2-OD1 3.1Å
93V85.5Confident90.9Very high66 Ų6645 Ų4540%0.424%0.241SC..EExtended strand (participates in β ladder)trans-129.3108.6176.7-177.10000108.6I91 K96 V98I91-V93 HydrophobicContact CD1-CG2 3.84Å; I91-V93 HydrophobicContact CG1-CG2 4.03Å; V93-K96 PolarHBondContact N-O 3.01Å; V93-K96 PolarHBondContact O-N 2.95Å; V93-V98 HydrophobicContact CB-CG2 4.21Å; V93-V98 HydrophobicContact CG2-CG2 4.28Å
94N87.1Confident90.9Very high146 Ų14645.2 Ų45.278%0.78124%0.242SC*.THydrogen-bonded Turntrans52.754.3-178.3-57.4-35000112.5K96N94-K96 PolarHBondContact O-N 2.91Å; N94-K96 VanDerWaalsContact O-N 3.13Å
95D86.8Confident90.9Very high152 Ų15245.6 Ų45.681%0.81324%0.244SC*.THydrogen-bonded Turntrans60.419.6-179.7-54.4-50.2000114.3N92N92-D95 PolarHBondContact OD1-N 3.48Å
96K88.6Confident90.9Very high153 Ų15345.5 Ų45.567%0.66524%0.243SC*.EExtended strand (participates in β ladder)trans-122.3136.9173.2-65.9-175.8-179.6-179.50110.7N92 V93 N94N92-K96 WeakPolarHBondContact CA-O 3.41Å; V93-K96 PolarHBondContact N-O 3.01Å; V93-K96 PolarHBondContact O-N 2.95Å; N94-K96 PolarHBondContact O-N 2.91Å; N94-K96 VanDerWaalsContact O-N 3.13Å
97D89.9Confident90.9Very high88 Ų8847.6 Ų47.647%0.47125%0.253SS..EExtended strand (participates in β ladder)trans-82.3126.7175.6-62.4-21.4000109.9Q70 L90 I91 N92Q70-D97 PolarHBondContact NE2-OD1 3.12Å; Q70-D97 VanDerWaalsContact NE2-OD1 3.15Å; Q70-D97 PolarHBondContact OE1-OD1 2.79Å; L90-D97 HydrophobicContact CD1-CB 4.05Å; L90-D97 HydrophobicContact CD2-CB 3.68Å; L90-D97 HydrophobicContact CG-CB 3.79Å; I91-D97 WeakPolarHBondContact O-CA 2.87Å; N92-D97 PolarHBondContact ND2-OD1 3.4Å; N92-D97 VanDerWaalsContact ND2-OD1 3.1Å
98V89.9Confident91.1Very high50 Ų5048.9 Ų48.930%0.30326%0.264SS..EExtended strand (participates in β ladder)trans-122.2128.7-179.2179.10000108I91 V93 N118I91-V98 HydrophobicContact CG1-CB 4.06Å; I91-V98 WeakPolarHBondContact CG1-O 3.35Å; I91-V98 PolarHBondContact N-O 2.79Å; I91-V98 PolarHBondContact O-N 2.9Å; V93-V98 HydrophobicContact CB-CG2 4.21Å; V93-V98 HydrophobicContact CG2-CG2 4.28Å; V98-N118 HydrophobicContact CG1-CB 4.26Å
99S91.9Very high91.2Very high79 Ų7953.4 Ų53.455%0.55229%0.288SS*.EExtended strand (participates in β ladder)trans-76.3131.1171.8-173.40000110.1N118S99-N118 PolarHBondContact O-ND2 3.11Å; S99-N118 VanDerWaalsContact O-ND2 3.12Å
100A90.8Very high91.3Very high2 Ų254.1 Ų54.12%0.01730%0.296CS..EExtended strand (participates in β ladder)trans-137.9153.6-177.300000110.8F89 I91 N118 V119F89-A100 HydrophobicContact CD2-CB 3.62Å; F89-A100 HydrophobicContact CE2-CB 3.19Å; F89-A100 HydrophobicContact CZ-CB 3.92Å; F89-A100 PolarHBondContact N-O 3.44Å; F89-A100 PolarHBondContact O-N 3.26Å; I91-A100 HydrophobicContact CD1-CB 4.06Å; I91-A100 HydrophobicContact CG1-CB 4.19Å; A100-N118 HydrophobicContact CB-CB 4.23Å; A100-V119 HydrophobicContact CB-CG2 4.16Å
101E90.9Very high91.3Very high37 Ų3756.7 Ų56.717%0.17331%0.306CS..EExtended strand (participates in β ladder)trans-132.2138.6-173-175.7174.6144.100110.5Q9 K86 R87 F116 D117Q9-E101 PolarHBondContact OE1-OE1 3.1Å; K86-E101 VanDerWaalsContact CE-OE1 3.3Å; K86-E101 WeakPolarHBondContact CE-OE1 3.35Å; K86-E101 VanDerWaalsContact CE-OE2 3.23Å; K86-E101 WeakPolarHBondContact CE-OE2 3.23Å; K86-E101 HydrophobicContact CG-CG 4.35Å; K86-E101 IonicContact NZ-OE1 2.64Å; K86-E101 PolarHBondContact NZ-OE1 3.15Å; K86-E101 IonicContact NZ-OE2 3.09Å; K86-E101 PolarHBondContact NZ-OE2 2.89Å; K86-E101 VanDerWaalsContact NZ-OE2 3.11Å; R87-E101 WeakPolarHBondContact O-CA 3.48Å; E101-F116 WeakPolarHBondContact O-CA 3.17Å; E101-D117 HydrophobicContact CB-CB 4.37Å; E101-D117 PolarHBondContact N-O 3.1Å; E101-D117 VanDerWaalsContact N-O 3.13Å; E101-D117 PolarHBondContact O-N 2.93Å
102M91.4Very high91.4Very high5 Ų558.6 Ų58.63%0.02532%0.316CS..EExtended strand (participates in β ladder)trans-129.1135.2167.5-77.5169.7-171.300110.2N64 A66 K86 R87 F89 Y115 F116 V119N64-M102 HydrophobicContact CB-SD 4.2Å; A66-M102 HydrophobicContact CB-CE 3.69Å; K86-M102 CarbonylContact C-O 3.52Å; K86-M102 WeakPolarHBondContact CA-O 3.3Å; R87-M102 HydrophobicContact CB-CB 4.4Å; R87-M102 PolarHBondContact N-O 3.42Å; R87-M102 PolarHBondContact O-N 3.02Å; F89-M102 HydrophobicContact CE1-CB 3.81Å; F89-M102 HydrophobicContact CE1-CE 4.4Å; F89-M102 HydrophobicContact CE1-CG 3.67Å; F89-M102 HydrophobicContact CE1-SD 3.84Å; F89-M102 HydrophobicContact CE2-CE 4.43Å; F89-M102 HydrophobicContact CZ-CB 4.23Å; F89-M102 HydrophobicContact CZ-CE 3.73Å; F89-M102 HydrophobicContact CZ-CG 3.6Å; F89-M102 HydrophobicContact CZ-SD 3.76Å; M102-Y115 CarbonylContact C-O 3.59Å; M102-Y115 VanDerWaalsContact CA-O 3.29Å; M102-Y115 WeakPolarHBondContact CA-O 3.38Å; M102-F116 HydrophobicContact CE-CD1 3.84Å; M102-F116 HydrophobicContact CE-CE1 4.05Å; M102-F116 HydrophobicContact CG-CD1 3.5Å; M102-F116 HydrophobicContact CG-CE1 3.86Å; M102-F116 HydrophobicContact SD-CD1 4.13Å; M102-F116 HydrophobicContact SD-CE1 4.07Å; M102-V119 HydrophobicContact CE-CB 4.14Å; M102-V119 HydrophobicContact CE-CG1 3.71Å; M102-V119 HydrophobicContact CE-CG2 3.89Å; M102-V119 HydrophobicContact CG-CG2 4.4Å
103T92.6Very high91.6Very high1 Ų157.9 Ų57.91%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-128.3125.5172.5-55.20000110.2Q9 P10 F12 V85 K86 V105 L114 Y115Q9-T103 VanDerWaalsContact OE1-CB 3.32Å; Q9-T103 PolarHBondContact OE1-OG1 2.69Å; P10-T103 HydrophobicContact CG-CG2 3.97Å; F12-T103 HydrophobicContact CD2-CG2 4.44Å; F12-T103 HydrophobicContact CE2-CG2 4.36Å; V85-T103 CarbonylContact O-C 3.49Å; V85-T103 WeakPolarHBondContact O-CA 3.38Å; K86-T103 HydrophobicContact CB-CG2 4.42Å; T103-V105 HydrophobicContact CG2-CG2 3.86Å; T103-L114 CarbonylContact O-C 3.59Å; T103-L114 WeakPolarHBondContact O-CA 3.5Å; T103-Y115 PolarHBondContact N-O 3.49Å; T103-Y115 PolarHBondContact O-N 3.27Å
104S93.6Very high91.8Very high4 Ų458 Ų583%0.02831%0.31CS..EExtended strand (participates in β ladder)trans-100.5127.9169.1-55.30000108.8N64 A84 V85N64-S104 PolarHBondContact ND2-OG 3.49Å; A84-S104 CarbonylContact C-O 3.54Å; A84-S104 WeakPolarHBondContact CA-O 3.26Å; V85-S104 PolarHBondContact N-O 3.45Å; V85-S104 PolarHBondContact O-N 3Å
105V94.4Very high92Very high10 Ų1053 Ų536%0.06128%0.281CS..EExtended strand (participates in β ladder)trans-124.7125-179.7-175.90000110P10 A84 T103 Q107 I112 T113 Y115P10-V105 HydrophobicContact CG-CG2 4.05Å; A84-V105 HydrophobicContact CB-CB 4.47Å; A84-V105 HydrophobicContact CB-CG1 4.45Å; A84-V105 HydrophobicContact CB-CG2 3.97Å; T103-V105 HydrophobicContact CG2-CG2 3.86Å; V105-Q107 HydrophobicContact CG1-CG 4.2Å; V105-I112 CarbonylContact O-C 3.59Å; V105-I112 VanDerWaalsContact O-CA 3.32Å; V105-I112 WeakPolarHBondContact O-CA 3.22Å; V105-T113 PolarHBondContact N-O 2.87Å; V105-T113 PolarHBondContact O-N 2.89Å; V105-Y115 HydrophobicContact CB-CE2 4.21Å; V105-Y115 HydrophobicContact CG2-CD2 4.02Å; V105-Y115 HydrophobicContact CG2-CE2 3.61Å
106I95.1Very high92Very high1 Ų149.1 Ų49.11%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-106.9130.7173-50.5-178000108.2F29 F31 I49 L51 I62 S82 L83 I112F29-I106 HydrophobicContact CE2-CG2 4.35Å; F29-I106 HydrophobicContact CZ-CG2 4.5Å; F29-I106 WeakPolarHBondContact CZ-O 3.04Å; F31-I106 HydrophobicContact CD1-CG2 4.31Å; F31-I106 HydrophobicContact CD2-CG2 3.78Å; F31-I106 HydrophobicContact CE1-CG2 4.21Å; F31-I106 HydrophobicContact CE2-CG2 3.66Å; F31-I106 HydrophobicContact CG-CG2 4.1Å; F31-I106 HydrophobicContact CZ-CD1 4.37Å; F31-I106 HydrophobicContact CZ-CG2 3.88Å; I49-I106 HydrophobicContact CG2-CD1 4.38Å; L51-I106 HydrophobicContact CD2-CD1 4.19Å; I62-I106 HydrophobicContact CD1-CD1 3.68Å; I62-I106 HydrophobicContact CD1-CG1 4.04Å; S82-I106 VanDerWaalsContact CA-O 3.32Å; S82-I106 WeakPolarHBondContact CA-O 3.42Å; L83-I106 HydrophobicContact CB-CB 4.43Å; L83-I106 HydrophobicContact CD2-CD1 4.34Å; L83-I106 PolarHBondContact N-O 2.64Å; L83-I106 PolarHBondContact O-N 2.88Å; I106-I112 HydrophobicContact CG1-CG1 4.39Å
107Q95Very high91.9Very high57 Ų5745 Ų4527%0.26624%0.242SC..  trans-114159.5-178.1-53.7-173.8-88.600111.1V105 N109 G110 K111V105-Q107 HydrophobicContact CG1-CG 4.2Å; Q107-N109 PolarHBondContact O-N 3.13Å; Q107-N109 VanDerWaalsContact O-N 3.09Å; Q107-G110 PolarHBondContact O-N 2.82Å; Q107-K111 HydrophobicContact CB-CB 4.46Å; Q107-K111 PolarHBondContact N-O 3.35Å
108P95.9Very high91.5Very high43 Ų4346.5 Ų46.528%0.27925%0.25SS..THydrogen-bonded Turntrans-54.2-32.6-177.9-28.432.6000115.2F29 F31 E81 G110F29-P108 HydrophobicContact CB-CB 4.24Å; F29-P108 HydrophobicContact CB-CG 3.91Å; F29-P108 HydrophobicContact CD1-CG 4.4Å; F29-P108 HydrophobicContact CD2-CB 4.05Å; F29-P108 HydrophobicContact CD2-CG 3.89Å; F29-P108 HydrophobicContact CG-CB 4.29Å; F29-P108 HydrophobicContact CG-CG 3.79Å; F31-P108 WeakPolarHBondContact CB-O 2.96Å; E81-P108 WeakPolarHBondContact O-CD 3.31Å; P108-G110 PolarHBondContact O-N 3.19Å; P108-G110 VanDerWaalsContact O-N 3.16Å
109N94.4Very high90.6Very high123 Ų12345.5 Ų45.566%0.65824%0.244SC*.THydrogen-bonded Turntrans-77.19.1177.465.63.9000114.1Q107 K111Q107-N109 PolarHBondContact O-N 3.13Å; Q107-N109 VanDerWaalsContact O-N 3.09Å; N109-K111 PolarHBondContact O-N 2.9Å; N109-K111 WeakPolarHBondContact OD1-CB 3.16Å; N109-K111 PolarHBondContact OD1-N 2.82Å
110G92.5Very high89.5Confident19 Ų1947.6 Ų47.620%0.19626%0.259CS..SBendtrans76.43.5-177.100000114.1R32 Q107 P108 I112R32-G110 WeakPolarHBondContact O-CA 3.19Å; Q107-G110 PolarHBondContact O-N 2.82Å; P108-G110 PolarHBondContact O-N 3.19Å; P108-G110 VanDerWaalsContact O-N 3.16Å; G110-I112 PolarHBondContact O-N 2.9Å
111K92.6Very high88.2Confident102 Ų10251 Ų5144%0.44328%0.282SS..  trans-69.2126.9175.2-178.9170.2161.5-102.70109.6Q107 N109 T113Q107-K111 HydrophobicContact CB-CB 4.46Å; Q107-K111 PolarHBondContact N-O 3.35Å; N109-K111 PolarHBondContact O-N 2.9Å; N109-K111 WeakPolarHBondContact OD1-CB 3.16Å; N109-K111 PolarHBondContact OD1-N 2.82Å; K111-T113 WeakPolarHBondContact CE-OG1 3.28Å; K111-T113 PolarHBondContact NZ-OG1 2.83Å
112I92.3Very high86.8Confident52 Ų5255.7 Ų55.727%0.26731%0.313SS..EExtended strand (participates in β ladder)trans-104.8128.7171.1-61.1158.3000107.6F33 I62 V105 I106 G110 L114F33-I112 HydrophobicContact CD2-CD1 3.8Å; F33-I112 HydrophobicContact CE2-CD1 3.51Å; I62-I112 HydrophobicContact CD1-CD1 3.58Å; I62-I112 HydrophobicContact CD1-CG1 3.92Å; I62-I112 HydrophobicContact CD1-CG2 3.96Å; I62-I112 HydrophobicContact CG1-CD1 4Å; I62-I112 HydrophobicContact CG2-CG2 4.32Å; V105-I112 CarbonylContact O-C 3.59Å; V105-I112 VanDerWaalsContact O-CA 3.32Å; V105-I112 WeakPolarHBondContact O-CA 3.22Å; I106-I112 HydrophobicContact CG1-CG1 4.39Å; G110-I112 PolarHBondContact O-N 2.9Å; I112-L114 HydrophobicContact CG2-CD2 3.94Å
113T91.7Very high85.3Confident25 Ų2559.9 Ų59.915%0.15334%0.335CS..EExtended strand (participates in β ladder)trans-124.7134.2176.5-480000109.2V105 K111 Y115V105-T113 PolarHBondContact N-O 2.87Å; V105-T113 PolarHBondContact O-N 2.89Å; K111-T113 WeakPolarHBondContact CE-OG1 3.28Å; K111-T113 PolarHBondContact NZ-OG1 2.83Å; T113-Y115 HydrophobicContact CG2-CD2 4.17Å; T113-Y115 HydrophobicContact CG2-CE1 4.27Å; T113-Y115 HydrophobicContact CG2-CE2 3.45Å; T113-Y115 VanDerWaalsContact CG2-CE2 3.45Å
114L90.5Very high83.8Confident68 Ų6868.3 Ų68.336%0.35639%0.394SS..EExtended strand (participates in β ladder)trans-116.5129.9-179.6-51.3179.8000108.5I62 N64 T103 I112 F116I62-L114 HydrophobicContact CG2-CD2 4.16Å; N64-L114 WeakPolarHBondContact ND2-CD2 3.44Å; T103-L114 CarbonylContact O-C 3.59Å; T103-L114 WeakPolarHBondContact O-CA 3.5Å; I112-L114 HydrophobicContact CG2-CD2 3.94Å; L114-F116 HydrophobicContact CB-CE2 3.54Å; L114-F116 HydrophobicContact CB-CZ 3.67Å; L114-F116 HydrophobicContact CD1-CZ 4.29Å
115Y90.4Very high83.4Confident41 Ų4171.6 Ų71.616%0.16141%0.412CS..EExtended strand (participates in β ladder)trans-118.1142.1-179-59-98.6000109Q7 P8 P10 M102 T103 V105 T113Q7-Y115 HydrophobicContact CB-CD1 4.23Å; Q7-Y115 HydrophobicContact CB-CE1 4.1Å; P8-Y115 VanDerWaalsContact O-CD1 3.31Å; P8-Y115 WeakPolarHBondContact O-CD1 3.46Å; P8-Y115 WeakPolarHBondContact O-CE1 2.97Å; P10-Y115 HydrophobicContact CG-CD2 4.41Å; P10-Y115 HydrophobicContact CG-CE2 4.29Å; M102-Y115 CarbonylContact C-O 3.59Å; M102-Y115 VanDerWaalsContact CA-O 3.29Å; M102-Y115 WeakPolarHBondContact CA-O 3.38Å; T103-Y115 PolarHBondContact N-O 3.49Å; T103-Y115 PolarHBondContact O-N 3.27Å; V105-Y115 HydrophobicContact CB-CE2 4.21Å; V105-Y115 HydrophobicContact CG2-CD2 4.02Å; V105-Y115 HydrophobicContact CG2-CE2 3.61Å; T113-Y115 HydrophobicContact CG2-CD2 4.17Å; T113-Y115 HydrophobicContact CG2-CE1 4.27Å; T113-Y115 HydrophobicContact CG2-CE2 3.45Å; T113-Y115 VanDerWaalsContact CG2-CE2 3.45Å
116F87.7Confident82.8Confident72 Ų7274.8 Ų74.832%0.31643%0.431SS..EExtended strand (participates in β ladder)trans-142.7128.2-174.9-53.5-91.5000109.1N64 E101 M102 L114 V119N64-F116 WeakPolarHBondContact OD1-CZ 3.43Å; E101-F116 WeakPolarHBondContact O-CA 3.17Å; M102-F116 HydrophobicContact CE-CD1 3.84Å; M102-F116 HydrophobicContact CE-CE1 4.05Å; M102-F116 HydrophobicContact CG-CD1 3.5Å; M102-F116 HydrophobicContact CG-CE1 3.86Å; M102-F116 HydrophobicContact SD-CD1 4.13Å; M102-F116 HydrophobicContact SD-CE1 4.07Å; L114-F116 HydrophobicContact CB-CE2 3.54Å; L114-F116 HydrophobicContact CB-CZ 3.67Å; L114-F116 HydrophobicContact CD1-CZ 4.29Å; F116-V119 HydrophobicContact CB-CG2 4.25Å
117D86.9Confident82.1Confident65 Ų6578.9 Ų78.935%0.34845%0.454SS..EExtended strand (participates in β ladder)trans-124.1137.5169.2-73.4-45.1000110.9Q9 E101 V119Q9-D117 WeakPolarHBondContact CG-OD2 3.37Å; Q9-D117 PolarHBondContact NE2-OD2 3.12Å; E101-D117 HydrophobicContact CB-CB 4.37Å; E101-D117 PolarHBondContact N-O 3.1Å; E101-D117 VanDerWaalsContact N-O 3.13Å; E101-D117 PolarHBondContact O-N 2.93Å; D117-V119 VanDerWaalsContact O-CG2 3.23Å; D117-V119 WeakPolarHBondContact O-CG2 3.23Å; D117-V119 PolarHBondContact O-N 3.09Å; D117-V119 VanDerWaalsContact O-N 3.12Å
118N81Confident81.3Confident120 Ų12080.2 Ų80.264%0.64247%0.465SS*.SBendtrans56.421.5-179-57.5-30.2000115V98 S99 A100V98-N118 HydrophobicContact CG1-CB 4.26Å; S99-N118 PolarHBondContact O-ND2 3.11Å; S99-N118 VanDerWaalsContact O-ND2 3.12Å; A100-N118 HydrophobicContact CB-CB 4.23Å
119V71.3Confident80.4Confident29 Ų2982.5 Ų82.518%0.17648%0.477CS..  trans-113.5133.4174.3-139.70000110.7A66 F89 A100 M102 F116 D117A66-V119 HydrophobicContact CB-CG1 4.34Å; F89-V119 HydrophobicContact CE2-CG1 4.37Å; F89-V119 HydrophobicContact CE2-CG2 4.1Å; F89-V119 HydrophobicContact CZ-CG2 3.88Å; A100-V119 HydrophobicContact CB-CG2 4.16Å; M102-V119 HydrophobicContact CE-CB 4.14Å; M102-V119 HydrophobicContact CE-CG1 3.71Å; M102-V119 HydrophobicContact CE-CG2 3.89Å; M102-V119 HydrophobicContact CG-CG2 4.4Å; F116-V119 HydrophobicContact CB-CG2 4.25Å; D117-V119 VanDerWaalsContact O-CG2 3.23Å; D117-V119 WeakPolarHBondContact O-CG2 3.23Å; D117-V119 PolarHBondContact O-N 3.09Å; D117-V119 VanDerWaalsContact O-N 3.12Å
120S67.9Low79.5Confident124 Ų12479.8 Ų79.887%0.86747%0.465SS*.  trans-76.6121.4165.7-55.20000108.1
121C63.5Low78.6Confident73 Ų7384.1 Ų84.149%0.49348%0.484SS..  trans-105.2140.1179.862.40000111.6
122T62.4Low77.5Confident135 Ų13582.8 Ų82.883%0.82849%0.487SS*.  trans-111.7127.5162.6-52.50000106.6
123I59.4Low76.2Confident93 Ų9385.3 Ų85.348%0.47751%0.506SS..  trans-103116.4178.5-55.7174000106.9M1 I3M1-I123 HydrophobicContact CE-CG2 3.52Å; I3-I123 HydrophobicContact CD1-CD1 3.54Å; I3-I123 HydrophobicContact CD1-CG2 4.15Å; I3-I123 HydrophobicContact CG1-CD1 3.98Å; I3-I123 HydrophobicContact CG2-CD1 3.88Å
124S62.3Low74.8Confident179 Ų17990.8 Ų90.8100%1.25254%0.538SS*.  trans-119.70179.760.90000112

Retrieved 124 of 124 residues in 38.3 ms (Link to these results)

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