A0A077Z888_TRITR Loading...

Polyprotein, serine proteases and ovochymase regi ons

AlphaFold DB , UniProt , Accession A0A077Z888, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 394 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
1M31.4Very low40.1Very low242 Ų242119.7 Ų119.7100%1.19260%0.604SS**  01090-71.5166-166.300107.8D3M1-D3 PolarHBondContact O-N 3.3Å
2K28.1Very low42.6Very low198 Ų198111 Ų11186%0.86157%0.566SS**  trans-73.8114.3157.8-87.4-179175.91780104.4L4K2-L4 PolarHBondContact O-N 2.9Å
3D34.8Very low45.5Very low115 Ų115106.7 Ų106.762%0.61555%0.545SS*.  trans-55.1108.1170.2-171.1-3.2000107.7M1 T5M1-D3 PolarHBondContact O-N 3.3Å; D3-T5 PolarHBondContact O-N 3.47Å; D3-T5 WeakPolarHBondContact OD1-CA 3.06Å; D3-T5 WeakPolarHBondContact OD1-CB 3.44Å; D3-T5 PolarHBondContact OD1-N 3.06Å; D3-T5 PolarHBondContact OD1-OG1 3.19Å; D3-T5 PolarHBondContact OD2-OG1 3.04Å
4L34.2Very low48.5Very low149 Ų149105.1 Ų105.178%0.7853%0.534SS*.SBendtrans-80.30.2176.6-80.6163.8000111K2 Q6K2-L4 PolarHBondContact O-N 2.9Å; L4-Q6 VanDerWaalsContact C-N 3.31Å; L4-Q6 PolarHBondContact O-N 3.28Å
5T37.2Very low51.2Low103 Ų10398.3 Ų98.363%0.63250%0.5SS*.  trans-92.564.5169.168.10000109.5D3 N7D3-T5 PolarHBondContact O-N 3.47Å; D3-T5 WeakPolarHBondContact OD1-CA 3.06Å; D3-T5 WeakPolarHBondContact OD1-CB 3.44Å; D3-T5 PolarHBondContact OD1-N 3.06Å; D3-T5 PolarHBondContact OD1-OG1 3.19Å; D3-T5 PolarHBondContact OD2-OG1 3.04Å; T5-N7 PolarHBondContact O-N 3.23Å
6Q39.9Very low53.7Low136 Ų136104.9 Ų104.964%0.63652%0.517SS*.  trans-59.2134.5155.7-70-175.3-3.800106.9L4 R8 L177L4-Q6 VanDerWaalsContact C-N 3.31Å; L4-Q6 PolarHBondContact O-N 3.28Å; Q6-R8 VanDerWaalsContact C-N 3.29Å; Q6-R8 PolarHBondContact O-N 3.25Å; Q6-L177 HydrophobicContact CB-CD1 4.07Å
7N41.2Very low55.9Low149 Ų149104.8 Ų104.880%0.79752%0.518SS*.  trans-49.992.4176.7-67.8-29.2000109.9T5T5-N7 PolarHBondContact O-N 3.23Å
8R40.8Very low57.8Low88 Ų88102.2 Ų102.233%0.33250%0.503SS..BIsolated β-bridgetrans-101.1135.8-178.1-172.8-179.680.3160.9-3.2107.1Q6 S10 L177Q6-R8 VanDerWaalsContact C-N 3.29Å; Q6-R8 PolarHBondContact O-N 3.25Å; R8-S10 VanDerWaalsContact C-N 3.25Å; R8-S10 PolarHBondContact O-N 2.74Å; R8-L177 WeakPolarHBondContact CG-O 3.49Å
9I47.9Very low59.7Low19 Ų1999.2 Ų99.210%0.09749%0.493CS..  trans-78.188.4162.6-58179.1000105.9G174 L177 Q188 F190I9-G174 VanDerWaalsContact CD1-O 3.29Å; I9-G174 WeakPolarHBondContact CD1-O 3.32Å; I9-L177 PolarHBondContact N-O 3.36Å; I9-Q188 HydrophobicContact CD1-CB 3.91Å; I9-Q188 HydrophobicContact CG2-CB 4.06Å; I9-F190 HydrophobicContact CG2-CD1 3.98Å; I9-F190 HydrophobicContact CG2-CE1 4.5Å
10S49.4Very low61.5Low42 Ų4294.9 Ų94.929%0.29447%0.472SS..  trans-80.3130.3167.443.70000109.1R8 G12R8-S10 VanDerWaalsContact C-N 3.25Å; R8-S10 PolarHBondContact O-N 2.74Å; S10-G12 VanDerWaalsContact C-N 3.33Å; S10-G12 PolarHBondContact O-N 3.36Å
11N56.7Low63.2Low76 Ų7690.9 Ų90.941%0.40645%0.453SS..SBendtrans65.627.6173.7-47.5-24.2000115F250N11-F250 VanDerWaalsContact O-CE2 3.27Å; N11-F250 WeakPolarHBondContact O-CE2 3.46Å
12G69.6Low66.3Low15 Ų1582.9 Ų82.916%0.15541%0.409CS..PPolyproline II helixtrans-87.3143.6169.800000112.4S10 Q189 F250S10-G12 VanDerWaalsContact C-N 3.33Å; S10-G12 PolarHBondContact O-N 3.36Å; G12-Q189 CarbonylContact C-O 3.58Å; G12-Q189 WeakPolarHBondContact CA-O 3.15Å; G12-F250 VanDerWaalsContact C-CZ 3.41Å; G12-F250 VanDerWaalsContact O-CZ 3.29Å; G12-F250 WeakPolarHBondContact O-CZ 3.32Å
13I80.3Confident69.6Low55 Ų5574.3 Ų74.328%0.28237%0.372SS..EExtended strand (participates in β ladder)trans-87.7160.4167.247.5171.3000110.1A15 Q188 Q189 D249 F250I13-A15 PolarHBondContact O-N 2.92Å; I13-Q188 CarbonylContact O-C 3.57Å; I13-Q188 VanDerWaalsContact O-CA 3.23Å; I13-Q188 WeakPolarHBondContact O-CA 3.1Å; I13-Q188 PolarHBondContact O-OE1 3.37Å; I13-Q189 HydrophobicContact CD1-CG 4.4Å; I13-Q189 HydrophobicContact CG1-CG 3.85Å; I13-Q189 PolarHBondContact N-O 2.99Å; I13-Q189 PolarHBondContact O-N 3.42Å; I13-D249 HydrophobicContact CG2-CB 4.13Å; I13-F250 HydrophobicContact CB-CE2 3.95Å; I13-F250 HydrophobicContact CB-CZ 4.1Å; I13-F250 HydrophobicContact CG1-CE2 4.5Å; I13-F250 HydrophobicContact CG2-CD2 4.03Å; I13-F250 HydrophobicContact CG2-CE1 4.41Å; I13-F250 HydrophobicContact CG2-CE2 3.11Å; I13-F250 HydrophobicContact CG2-CZ 3.33Å
14E87Confident72.6Confident84 Ų8468.8 Ų68.839%0.39334%0.343SS..EExtended strand (participates in β ladder)trans-56.3126.3161.4-175174.6158.600109.1H105 K186 Q188E14-H105 IonicContact OE1-CD2 2.96Å; E14-H105 IonicContact OE1-CE1 2.87Å; E14-H105 IonicContact OE1-NE2 2.6Å; E14-H105 PolarHBondContact OE1-NE2 3.31Å; E14-K186 VanDerWaalsContact CD-NZ 3.25Å; E14-K186 HydrophobicContact CG-CB 4.33Å; E14-K186 HydrophobicContact CG-CD 4.18Å; E14-K186 WeakPolarHBondContact OE1-CD 3.4Å; E14-K186 IonicContact OE1-NZ 3.53Å; E14-K186 PolarHBondContact OE1-NZ 3.06Å; E14-K186 WeakPolarHBondContact OE2-CD 3.49Å; E14-K186 IonicContact OE2-NZ 3.37Å; E14-K186 PolarHBondContact OE2-NZ 3.02Å; E14-Q188 VanDerWaalsContact N-OE1 3.14Å
15A90.3Very high75.6Confident3 Ų362 Ų623%0.02531%0.308CS..PPolyproline II helixtrans-66.1149.6174.200000110I13 H105 L187 Q189I13-A15 PolarHBondContact O-N 2.92Å; A15-H105 PolarHBondContact O-CE1 3Å; A15-L187 HydrophobicContact CB-CB 4.28Å; A15-L187 HydrophobicContact CB-CD2 4.04Å; A15-L187 HydrophobicContact CB-CG 3.92Å; A15-L187 PolarHBondContact N-O 2.85Å; A15-Q189 HydrophobicContact CB-CB 4.3Å; A15-Q189 HydrophobicContact CB-CG 4.03Å
16R90.1Very high78.5Confident205 Ų20557.1 Ų57.177%0.77428%0.278SS*.PPolyproline II helixtrans-65.2142.6168.6-66.5-179.3-175.2176.21.6108.7H18 S19R16-H18 PolarHBondContact O-N 2.86Å; R16-S19 PolarHBondContact N-OG 2.71Å; R16-S19 VanDerWaalsContact O-CB 3.3Å; R16-S19 WeakPolarHBondContact O-CB 3.31Å; R16-S19 PolarHBondContact O-N 3.4Å; R16-S19 PolarHBondContact O-OG 3.4Å
17I90.7Very high81.2Confident103 Ų10352.6 Ų52.653%0.52826%0.256SS..THydrogen-bonded Turntrans-53.5129.9177.7-51.5-178.7000108.6S19 H105I17-S19 PolarHBondContact O-N 3.29Å; I17-H105 HydrophobicContact CG2-CB 4.2Å
18H90.9Very high83.8Confident57 Ų5745.5 Ų45.526%0.26422%0.219SC..THydrogen-bonded Turntrans63.813-179.8-50.5-48.1000116.3R16 H20 G103 N111 A150R16-H18 PolarHBondContact O-N 2.86Å; H18-H20 VanDerWaalsContact C-N 3.31Å; H18-H20 PolarHBondContact O-N 3.08Å; H18-G103 PolarHBondContact CE1-O 2.82Å; H18-N111 PolarHBondContact CE1-ND2 3.19Å; H18-A150 VanDerWaalsContact CE1-CB 3.42Å; H18-A150 WeakPolarHBondContact CE1-CB 3.31Å; H18-A150 VanDerWaalsContact ND1-CB 3.29Å; H18-A150 WeakPolarHBondContact ND1-CB 3.49Å
19S93.5Very high86.4Confident45 Ų4545.4 Ų45.432%0.31522%0.224SC..SBendtrans-71.9-20.5176.756.50000115R16 I17 P21R16-S19 PolarHBondContact N-OG 2.71Å; R16-S19 VanDerWaalsContact O-CB 3.3Å; R16-S19 WeakPolarHBondContact O-CB 3.31Å; R16-S19 PolarHBondContact O-N 3.4Å; R16-S19 PolarHBondContact O-OG 3.4Å; I17-S19 PolarHBondContact O-N 3.29Å; S19-P21 VanDerWaalsContact C-CD 3.44Å; S19-P21 WeakPolarHBondContact O-CD 3.35Å
20H95.9Very high88.5Confident13 Ų1347 Ų476%0.0623%0.229CC..SBendtrans-121.270.2175.9-62-75.9000110.3H18 W22 Q23 L187 Q189H18-H20 VanDerWaalsContact C-N 3.31Å; H18-H20 PolarHBondContact O-N 3.08Å; H20-W22 HydrophobicContact CB-CZ2 4.4Å; H20-W22 AromaticContact ND1-CZ2 3.51Å; H20-W22 PolarHBondContact O-N 3.02Å; H20-W22 VanDerWaalsContact O-N 3.1Å; H20-Q23 HydrophobicContact CB-CB 3.99Å; H20-Q23 VanDerWaalsContact O-CB 3.23Å; H20-Q23 WeakPolarHBondContact O-CB 3.25Å; H20-Q23 PolarHBondContact O-N 3.42Å; H20-L187 HydrophobicContact CB-CD2 4.23Å; H20-Q189 PolarHBondContact CE1-OE1 2.59Å; H20-Q189 PolarHBondContact NE2-OE1 2.73Å
21P96.7Very high90.3Very high12 Ų1250.8 Ų50.88%0.07825%0.252CS..THydrogen-bonded Turntrans-68.6-11.5-169.730.4-39000114S19 A150 V151 Q152S19-P21 VanDerWaalsContact C-CD 3.44Å; S19-P21 WeakPolarHBondContact O-CD 3.35Å; P21-A150 WeakPolarHBondContact CA-O 3.5Å; P21-A150 WeakPolarHBondContact CB-O 3.13Å; P21-V151 WeakPolarHBondContact O-CA 3.5Å; P21-Q152 CarbonylContact C-O 3.43Å; P21-Q152 HydrophobicContact CB-CB 3.9Å; P21-Q152 HydrophobicContact CB-CG 4.04Å; P21-Q152 HydrophobicContact CG-CB 3.82Å; P21-Q152 HydrophobicContact CG-CG 4.1Å; P21-Q152 PolarHBondContact O-N 2.76Å
22W97.7Very high91.6Very high73 Ų7357 Ų5728%0.27728%0.276SS..THydrogen-bonded Turntrans-86.6-12171.854.482.2000113.7H20 A24 A40 L41 Q152 I154H20-W22 HydrophobicContact CB-CZ2 4.4Å; H20-W22 AromaticContact ND1-CZ2 3.51Å; H20-W22 PolarHBondContact O-N 3.02Å; H20-W22 VanDerWaalsContact O-N 3.1Å; W22-A24 PolarHBondContact O-N 2.92Å; W22-A40 CarbonylContact O-C 3.5Å; W22-A40 WeakPolarHBondContact O-CA 3.47Å; W22-L41 PolarHBondContact O-N 2.78Å; W22-Q152 WeakPolarHBondContact CA-O 3.38Å; W22-Q152 VanDerWaalsContact CB-O 3.3Å; W22-Q152 WeakPolarHBondContact CB-O 3.43Å; W22-Q152 PolarHBondContact N-O 2.96Å; W22-I154 HydrophobicContact CB-CB 3.8Å; W22-I154 HydrophobicContact CB-CG2 4.1Å; W22-I154 HydrophobicContact CD2-CB 4.06Å; W22-I154 HydrophobicContact CD2-CD1 4.03Å; W22-I154 HydrophobicContact CD2-CG1 4.38Å; W22-I154 HydrophobicContact CE3-CB 4.39Å; W22-I154 HydrophobicContact CG-CB 3.78Å; W22-I154 HydrophobicContact CG-CD1 4.22Å; W22-I154 HydrophobicContact CG-CG2 4.21Å; W22-I154 HydrophobicContact CZ2-CD1 4.43Å
23Q97.4Very high92.6Very high18 Ų1859.6 Ų59.68%0.08429%0.291CS..EExtended strand (participates in β ladder)trans-67.5120.9-175.1-178.5656000110.6H20 G39 A173 W175 L187H20-Q23 HydrophobicContact CB-CB 3.99Å; H20-Q23 VanDerWaalsContact O-CB 3.23Å; H20-Q23 WeakPolarHBondContact O-CB 3.25Å; H20-Q23 PolarHBondContact O-N 3.42Å; Q23-G39 PolarHBondContact NE2-O 3.21Å; Q23-A173 PolarHBondContact OE1-O 3.06Å; Q23-W175 HydrophobicContact CG-CH2 3.51Å; Q23-W175 HydrophobicContact CG-CZ3 3.48Å; Q23-W175 VanDerWaalsContact CG-CZ3 3.48Å; Q23-L187 HydrophobicContact CB-CD2 4.41Å; Q23-L187 HydrophobicContact CG-CD1 3.86Å; Q23-L187 HydrophobicContact CG-CD2 4.21Å
24A97.7Very high93Very high0 Ų060.2 Ų60.20%030%0.301CS..EExtended strand (participates in β ladder)trans-105.9141.1174.500000110.9W22 G39 I53 V100 Y101 L102W22-A24 PolarHBondContact O-N 2.92Å; A24-G39 PolarHBondContact N-O 3.37Å; A24-G39 PolarHBondContact O-N 2.87Å; A24-I53 HydrophobicContact CB-CD1 4.09Å; A24-I53 HydrophobicContact CB-CG2 3.95Å; A24-V100 HydrophobicContact CB-CG1 4.05Å; A24-Y101 WeakPolarHBondContact CA-O 3.29Å; A24-L102 HydrophobicContact CB-CD2 3.69Å
25L96.8Very high93.2Very high7 Ų758.2 Ų58.24%0.03729%0.294CS..EExtended strand (participates in β ladder)trans-99.6116.5163.8178.671.7000108.4L36 V100 Y101 L104 F107 W175L25-L36 HydrophobicContact CD1-CB 4.14Å; L25-L36 HydrophobicContact CD1-CD2 4.23Å; L25-L36 HydrophobicContact CG-CD2 4.49Å; L25-V100 WeakPolarHBondContact O-CA 3.43Å; L25-Y101 HydrophobicContact CD2-CD2 4.37Å; L25-Y101 PolarHBondContact N-O 3.06Å; L25-Y101 PolarHBondContact O-N 2.94Å; L25-L104 HydrophobicContact CB-CD2 4.36Å; L25-L104 HydrophobicContact CD2-CD2 3.71Å; L25-F107 HydrophobicContact CD2-CB 3.9Å; L25-F107 HydrophobicContact CD2-CG 4.43Å; L25-W175 HydrophobicContact CB-CE3 4.17Å; L25-W175 HydrophobicContact CB-CH2 4.18Å; L25-W175 HydrophobicContact CB-CZ3 3.8Å; L25-W175 HydrophobicContact CD1-CD2 4.25Å; L25-W175 HydrophobicContact CD1-CE3 3.77Å; L25-W175 HydrophobicContact CD1-CZ3 4.27Å
26V97.7Very high93.4Very high0 Ų061.3 Ų61.30%031%0.31CS..EExtended strand (participates in β ladder)trans-97.6111.3177.2-173.20000108.2I28 L36 C37 I53 V98 I139V26-I28 HydrophobicContact CB-CD1 4.37Å; V26-I28 HydrophobicContact CG1-CD1 3.76Å; V26-I28 HydrophobicContact CG1-CG1 4.11Å; V26-L36 WeakPolarHBondContact O-CA 3.35Å; V26-C37 HydrophobicContact CB-CB 4.21Å; V26-C37 PolarHBondContact N-O 2.6Å; V26-C37 PolarHBondContact O-N 3.42Å; V26-I53 HydrophobicContact CG2-CG2 4.47Å; V26-V98 HydrophobicContact CG1-CG1 3.67Å; V26-I139 HydrophobicContact CB-CD1 4.45Å; V26-I139 HydrophobicContact CG1-CD1 3.63Å; V26-I139 HydrophobicContact CG2-CD1 3.9Å
27H96.3Very high93.6Very high41 Ų4152.4 Ų52.419%0.1928%0.279CS..EExtended strand (participates in β ladder)trans-100.3116177-177.9-157.2000109.9S34 L36 V98 T99 Y101H27-S34 VanDerWaalsContact NE2-CB 3.28Å; H27-S34 WeakPolarHBondContact NE2-CB 3.13Å; H27-L36 HydrophobicContact CB-CD2 4.06Å; H27-V98 WeakPolarHBondContact O-CA 3.18Å; H27-T99 PolarHBondContact N-O 2.94Å; H27-T99 PolarHBondContact O-N 2.91Å; H27-Y101 HydrophobicContact CB-CE2 4.07Å
28I97.2Very high93.9Very high0 Ų049.3 Ų49.30%027%0.273CS..EExtended strand (participates in β ladder)trans-109.2118.4-179.4-54.497.6000109.8V26 R30 S34 T35 C37 L60 V93 V98V26-I28 HydrophobicContact CB-CD1 4.37Å; V26-I28 HydrophobicContact CG1-CD1 3.76Å; V26-I28 HydrophobicContact CG1-CG1 4.11Å; I28-R30 HydrophobicContact CG2-CG 4.11Å; I28-S34 CarbonylContact O-C 3.49Å; I28-S34 WeakPolarHBondContact O-CA 3.45Å; I28-T35 PolarHBondContact N-O 3.11Å; I28-T35 PolarHBondContact O-N 3.43Å; I28-C37 HydrophobicContact CD1-CB 4.23Å; I28-L60 HydrophobicContact CG1-CD2 4.39Å; I28-V93 HydrophobicContact CG2-CB 4.49Å; I28-V93 HydrophobicContact CG2-CG1 4.14Å; I28-V93 HydrophobicContact CG2-CG2 3.99Å; I28-V98 HydrophobicContact CG1-CG1 4.46Å; I28-V98 HydrophobicContact CG1-CG2 4.32Å; I28-V98 HydrophobicContact CG2-CG2 4.47Å
29L95.9Very high94.2Very high86 Ų8647.1 Ų47.145%0.4527%0.265SS..EExtended strand (participates in β ladder)trans-84.6120.2172.1-63.2177000110.5N97L29-N97 HydrophobicContact CB-CB 4.37Å; L29-N97 PolarHBondContact N-O 3.46Å; L29-N97 WeakPolarHBondContact O-CB 3.38Å; L29-N97 PolarHBondContact O-ND2 2.93Å
30R91.9Very high94.4Very high53 Ų5346.1 Ų46.120%0.226%0.26CS..EExtended strand (participates in β ladder)trans-115.1161.6172.6-50.5-159-178.2100.94.5109.8I28 K32 S33 T35 C59I28-R30 HydrophobicContact CG2-CG 4.11Å; R30-K32 PolarHBondContact O-N 3.29Å; R30-S33 CarbonylContact C-O 3.58Å; R30-S33 VanDerWaalsContact CA-O 3.26Å; R30-S33 WeakPolarHBondContact CA-O 3.35Å; R30-S33 VanDerWaalsContact CB-O 3.22Å; R30-S33 WeakPolarHBondContact CB-O 3.43Å; R30-S33 PolarHBondContact N-O 2.86Å; R30-S33 PolarHBondContact O-N 3.38Å; R30-T35 PolarHBondContact NH1-OG1 2.96Å; R30-C59 PolarHBondContact NH2-O 3.49Å
31P85.5Confident94.5Very high120 Ų12045.5 Ų45.578%0.77926%0.257SS*.THydrogen-bonded Turntrans-56.2-28.6-171.3-29.135.9000116
32K85.7Confident94.6Very high208 Ų20845.2 Ų45.290%0.90426%0.255SS*.THydrogen-bonded Turntrans-125.3-0.9-177.3-64-174.3179-177.80114.2R30R30-K32 PolarHBondContact O-N 3.29Å
33S88.8Confident94.5Very high68 Ų6844.2 Ų44.248%0.47625%0.253SS..EExtended strand (participates in β ladder)trans-160.3156.9-175.458.30000110.6R30R30-S33 CarbonylContact C-O 3.58Å; R30-S33 VanDerWaalsContact CA-O 3.26Å; R30-S33 WeakPolarHBondContact CA-O 3.35Å; R30-S33 VanDerWaalsContact CB-O 3.22Å; R30-S33 WeakPolarHBondContact CB-O 3.43Å; R30-S33 PolarHBondContact N-O 2.86Å; R30-S33 PolarHBondContact O-N 3.38Å
34S90Very high94Very high69 Ų6949.5 Ų49.548%0.48327%0.273SS..EExtended strand (participates in β ladder)trans-99.5159.716156.80000110H27 I28H27-S34 VanDerWaalsContact NE2-CB 3.28Å; H27-S34 WeakPolarHBondContact NE2-CB 3.13Å; I28-S34 CarbonylContact O-C 3.49Å; I28-S34 WeakPolarHBondContact O-CA 3.45Å
35T91.7Very high93.3Very high42 Ų4257.5 Ų57.526%0.25831%0.308SS..EExtended strand (participates in β ladder)trans-136.3139.9169.6-70.80000109.5I28 R30I28-T35 PolarHBondContact N-O 3.11Å; I28-T35 PolarHBondContact O-N 3.43Å; R30-T35 PolarHBondContact NH1-OG1 2.96Å
36L92.9Very high92.4Very high68 Ų6866 Ų6636%0.35635%0.347SS..EExtended strand (participates in β ladder)trans-104.4133.4175-59.3179.8000107.9L25 V26 H27 F107L25-L36 HydrophobicContact CD1-CB 4.14Å; L25-L36 HydrophobicContact CD1-CD2 4.23Å; L25-L36 HydrophobicContact CG-CD2 4.49Å; V26-L36 WeakPolarHBondContact O-CA 3.35Å; H27-L36 HydrophobicContact CB-CD2 4.06Å; L36-F107 HydrophobicContact CD1-CE1 4.43Å; L36-F107 HydrophobicContact CD1-CZ 4.4Å
37C95.5Very high91.8Very high17 Ų1767.5 Ų67.512%0.11536%0.36CS..EExtended strand (participates in β ladder)trans-129.6158.7171.1-80.10000109.8V26 I28 C59V26-C37 HydrophobicContact CB-CB 4.21Å; V26-C37 PolarHBondContact N-O 2.6Å; V26-C37 PolarHBondContact O-N 3.42Å; I28-C37 HydrophobicContact CD1-CB 4.23Å; C37-C59 HydrophobicContact CB-CB 3.74Å; C37-C59 WeakPolarHBondContact CB-SG 3.5Å; C37-C59 WeakPolarHBondContact SG-CB 3.47Å; C37-C59 CovalentContact SG-SG 2.03Å; C37-C59 PolarHBondContact SG-SG 2.57Å
38G95.9Very high91.7Very high39 Ų3971.3 Ų71.340%0.40238%0.382SS..EExtended strand (participates in β ladder)trans-83.5161165.800000111.4T55G38-T55 PolarHBondContact O-OG1 3.02Å
39G97.8Very high91.7Very high10 Ų1071.8 Ų71.810%0.10339%0.386CS..EExtended strand (participates in β ladder)trans-155.6172.9164.600000110.4Q23 A24 L54Q23-G39 PolarHBondContact NE2-O 3.21Å; A24-G39 PolarHBondContact N-O 3.37Å; A24-G39 PolarHBondContact O-N 2.87Å; G39-L54 CarbonylContact C-O 3.54Å; G39-L54 WeakPolarHBondContact CA-O 3.43Å
40A98.4Very high91.7Very high25 Ų2567.9 Ų67.921%0.20737%0.366CS..EExtended strand (participates in β ladder)trans-123.1127.8175.900000110.4W22 V42 I53 L54 I154W22-A40 CarbonylContact O-C 3.5Å; W22-A40 WeakPolarHBondContact O-CA 3.47Å; A40-V42 PolarHBondContact O-N 3.31Å; A40-I53 CarbonylContact O-C 3.58Å; A40-I53 VanDerWaalsContact O-CA 3.31Å; A40-I53 WeakPolarHBondContact O-CA 3.2Å; A40-L54 PolarHBondContact N-O 2.83Å; A40-L54 PolarHBondContact O-N 2.9Å; A40-I154 HydrophobicContact CB-CG2 3.95Å
41L98.2Very high92Very high0 Ų066.3 Ų66.30%036%0.361CS..EExtended strand (participates in β ladder)trans-67.5117169.6-177.468000108.8W22 I53 L102 Y147 V151 G153 I154W22-L41 PolarHBondContact O-N 2.78Å; L41-I53 HydrophobicContact CB-CD1 3.98Å; L41-I53 HydrophobicContact CD1-CD1 3.6Å; L41-I53 HydrophobicContact CG-CD1 4.42Å; L41-L102 HydrophobicContact CB-CD2 4.24Å; L41-L102 HydrophobicContact CD1-CD1 4.31Å; L41-L102 HydrophobicContact CD2-CD1 4.2Å; L41-Y147 HydrophobicContact CD2-CD1 4.49Å; L41-Y147 HydrophobicContact CD2-CE1 3.93Å; L41-V151 HydrophobicContact CD2-CG1 3.56Å; L41-G153 CarbonylContact O-C 3.6Å; L41-G153 WeakPolarHBondContact O-CA 3.35Å; L41-I154 PolarHBondContact O-N 3.3Å
42V97.4Very high92.6Very high5 Ų562.4 Ų62.43%0.0333%0.334CS..EExtended strand (participates in β ladder)trans-85.9125.2-175.1177.30000109.8A40 Y44 S50 L52 L54 L156A40-V42 PolarHBondContact O-N 3.31Å; V42-Y44 PolarHBondContact O-N 3.11Å; V42-S50 WeakPolarHBondContact O-CB 3.28Å; V42-S50 PolarHBondContact O-OG 2.96Å; V42-L52 HydrophobicContact CB-CB 4.34Å; V42-L52 PolarHBondContact N-O 3.04Å; V42-L54 HydrophobicContact CG2-CB 3.71Å; V42-L156 HydrophobicContact CG1-CD1 3.84Å; V42-L156 HydrophobicContact CG1-CD2 3.85Å; V42-L156 HydrophobicContact CG1-CG 3.57Å; V42-L156 HydrophobicContact CG2-CD2 4.22Å
43H95.4Very high93.2Very high52 Ų5252.5 Ų52.524%0.24129%0.291CS..EExtended strand (participates in β ladder)trans-75.3121.4166.8-175.167.2000110.1A47 Y147 I154H43-A47 PolarHBondContact CE1-O 2.81Å; H43-A47 PolarHBondContact ND1-O 2.64Å; H43-Y147 WeakPolarHBondContact CA-OH 3.35Å; H43-Y147 AromaticContact CE1-CE2 3.78Å; H43-Y147 AromaticContact ND1-CE2 3.25Å; H43-Y147 VanDerWaalsContact ND1-CE2 3.25Å; H43-Y147 WeakPolarHBondContact ND1-CE2 3.39Å; H43-Y147 AromaticContact ND1-CZ 3.51Å; H43-Y147 PolarHBondContact ND1-OH 2.86Å; H43-I154 PolarHBondContact N-O 2.97Å
44Y87.1Confident93.6Very high130 Ų13051.9 Ų51.951%0.5128%0.282SS..  trans-138.5147.4-177.4-169.5-126000111.3V42 Q46 L52V42-Y44 PolarHBondContact O-N 3.11Å; Y44-Q46 VanDerWaalsContact C-N 3.28Å; Y44-Q46 PolarHBondContact O-N 2.78Å; Y44-L52 HydrophobicContact CD1-CD1 4.26Å
45K82.4Confident94Very high168 Ų16849.3 Ų49.373%0.7326%0.263SS*.THydrogen-bonded Turntrans58.825.1178.3-61.6177.2177.9-172.50116.2A47K45-A47 PolarHBondContact O-N 2.89Å
46Q78.5Confident94.2Very high184 Ų18448.4 Ų48.486%0.8626%0.26SS*.THydrogen-bonded Turntrans55.524.9178.6-58.2177.7-1400113.8Y44Y44-Q46 VanDerWaalsContact C-N 3.28Å; Y44-Q46 PolarHBondContact O-N 2.78Å
47A85.9Confident94.3Very high33 Ų3345.1 Ų45.127%0.27324%0.243SC..  trans-90.9147.8-179.900000110.9H43 K45 A49 Y147H43-A47 PolarHBondContact CE1-O 2.81Å; H43-A47 PolarHBondContact ND1-O 2.64Å; K45-A47 PolarHBondContact O-N 2.89Å; A47-A49 PolarHBondContact O-N 2.86Å; A47-Y147 WeakPolarHBondContact O-CE2 3.47Å
48N94.6Very high94.2Very high120 Ų12047.7 Ų47.764%0.64225%0.253SS*.SBendtrans-74.223.2173.269.3-25.6000113.5Y147N48-Y147 VanDerWaalsContact C-CD2 3.47Å; N48-Y147 PolarHBondContact O-N 2.8Å
49A96.1Very high94.2Very high10 Ų1046.1 Ų46.18%0.08324%0.236CC..EExtended strand (participates in β ladder)trans-157.3151.3-176.400000111.3A47 K144 V145 L146A47-A49 PolarHBondContact O-N 2.86Å; A49-K144 HydrophobicContact CB-CB 4.19Å; A49-V145 CarbonylContact C-O 3.51Å; A49-V145 WeakPolarHBondContact CA-O 3.31Å; A49-V145 WeakPolarHBondContact CB-O 3.44Å; A49-L146 HydrophobicContact CB-CD2 3.76Å
50S97.1Very high94.1Very high5 Ų545.7 Ų45.74%0.03523%0.231CC..EExtended strand (participates in β ladder)trans-146.3158.8174.1-1760000112.8V42 L52 V145 Y147V42-S50 WeakPolarHBondContact O-CB 3.28Å; V42-S50 PolarHBondContact O-OG 2.96Å; S50-L52 PolarHBondContact OG-N 2.86Å; S50-V145 PolarHBondContact N-O 2.94Å; S50-V145 PolarHBondContact O-N 2.86Å; S50-Y147 WeakPolarHBondContact CB-OH 3.48Å
51D96.9Very high93.8Very high19 Ų1944.5 Ų44.510%0.10222%0.221CC..EExtended strand (participates in β ladder)trans-134.617.6177.551.433.7000112.1K140 L141 E143 K144D51-K140 HydrophobicContact CB-CD 4.39Å; D51-K140 WeakPolarHBondContact O-CA 3.17Å; D51-K140 IonicContact OD1-NZ 3.29Å; D51-K140 PolarHBondContact OD1-NZ 2.85Å; D51-K140 IonicContact OD2-NZ 3.4Å; D51-K140 PolarHBondContact OD2-NZ 3.38Å; D51-L141 HydrophobicContact CB-CB 4.04Å; D51-L141 PolarHBondContact O-N 3.27Å; D51-E143 WeakPolarHBondContact CB-O 3.24Å; D51-K144 HydrophobicContact CB-CG 3.96Å; D51-K144 WeakPolarHBondContact OD2-CE 3.35Å; D51-K144 WeakPolarHBondContact OD2-CG 3.44Å
52L98Very high93.5Very high39 Ų3946.9 Ų46.920%0.20423%0.234CC..EExtended strand (participates in β ladder)trans-116.9120.9-176.6-62.9177.1000110.5V42 Y44 S50 I139 K140V42-L52 HydrophobicContact CB-CB 4.34Å; V42-L52 PolarHBondContact N-O 3.04Å; Y44-L52 HydrophobicContact CD1-CD1 4.26Å; S50-L52 PolarHBondContact OG-N 2.86Å; L52-I139 WeakPolarHBondContact CA-O 3.2Å; L52-K140 HydrophobicContact CD2-CD 3.81Å
53I98.5Very high93.1Very high0 Ų050.3 Ų50.30%025%0.246CC..EExtended strand (participates in β ladder)trans-106.4129170.2-47.9-61.3000109.3A24 V26 A40 L41 V100 L102 L138 I139 L141A24-I53 HydrophobicContact CB-CD1 4.09Å; A24-I53 HydrophobicContact CB-CG2 3.95Å; V26-I53 HydrophobicContact CG2-CG2 4.47Å; A40-I53 CarbonylContact O-C 3.58Å; A40-I53 VanDerWaalsContact O-CA 3.31Å; A40-I53 WeakPolarHBondContact O-CA 3.2Å; L41-I53 HydrophobicContact CB-CD1 3.98Å; L41-I53 HydrophobicContact CD1-CD1 3.6Å; L41-I53 HydrophobicContact CG-CD1 4.42Å; I53-V100 HydrophobicContact CD1-CG1 4.14Å; I53-V100 HydrophobicContact CG1-CG1 4.01Å; I53-V100 HydrophobicContact CG1-CG2 4.3Å; I53-L102 HydrophobicContact CD1-CD2 4.18Å; I53-L138 CarbonylContact O-C 3.55Å; I53-L138 WeakPolarHBondContact O-CA 3.32Å; I53-I139 HydrophobicContact CB-CB 4.06Å; I53-I139 PolarHBondContact N-O 3.38Å; I53-I139 PolarHBondContact O-N 3.36Å; I53-L141 HydrophobicContact CD1-CD1 4.32Å; I53-L141 HydrophobicContact CG1-CD1 4.47Å; I53-L141 HydrophobicContact CG1-CD2 4.06Å; I53-L141 HydrophobicContact CG1-CG 4.38Å
54L98.3Very high92.7Very high54 Ų5452.9 Ų52.928%0.28326%0.258SS..EExtended strand (participates in β ladder)trans-90.7132.9168.1-169.768.8000109.9G39 A40 V42 I136 L138 L156G39-L54 CarbonylContact C-O 3.54Å; G39-L54 WeakPolarHBondContact CA-O 3.43Å; A40-L54 PolarHBondContact N-O 2.83Å; A40-L54 PolarHBondContact O-N 2.9Å; V42-L54 HydrophobicContact CG2-CB 3.71Å; L54-I136 HydrophobicContact CD1-CD1 3.99Å; L54-I136 HydrophobicContact CD1-CG1 3.79Å; L54-L138 HydrophobicContact CB-CD2 4.36Å; L54-L138 HydrophobicContact CD1-CD2 3.68Å; L54-L138 HydrophobicContact CD1-CG 4.28Å; L54-L156 HydrophobicContact CD2-CD2 4.38Å
55T97.8Very high92.6Very high16 Ų1653.4 Ų53.410%0.09826%0.26CS..EExtended strand (participates in β ladder)trans-152.1-176179-169.80000110.7G38 L60 I136 A137 I139G38-T55 PolarHBondContact O-OG1 3.02Å; T55-L60 HydrophobicContact CG2-CD1 4.08Å; T55-L60 HydrophobicContact CG2-CG 4.41Å; T55-I136 CarbonylContact O-C 3.52Å; T55-A137 HydrophobicContact CG2-CB 4.29Å; T55-A137 PolarHBondContact N-O 2.99Å; T55-A137 PolarHBondContact O-N 3.02Å; T55-I139 HydrophobicContact CG2-CD1 3.95Å; T55-I139 HydrophobicContact CG2-CG1 4.08Å
56A95.9Very high92.7Very high22 Ų2245.7 Ų45.718%0.18223%0.226CC..  trans-83.1144175.400000111.6H58 C59A56-H58 VanDerWaalsContact C-N 3.32Å; A56-H58 WeakPolarHBondContact CB-ND1 3.22Å; A56-H58 PolarHBondContact O-N 2.7Å; A56-C59 WeakPolarHBondContact O-CB 3.48Å; A56-C59 PolarHBondContact O-N 3.15Å
57A95.1Very high92.9Very high0 Ų046.2 Ų46.20%022%0.22CC..Hα-helixtrans-63.3-39.8176.600000111.7C59 L60 V61 A124 F127 D135 A137A57-C59 PolarHBondContact O-N 3.45Å; A57-L60 PolarHBondContact O-N 2.81Å; A57-V61 WeakPolarHBondContact O-CG2 3.11Å; A57-V61 PolarHBondContact O-N 2.8Å; A57-A124 HydrophobicContact CB-CB 4.04Å; A57-F127 HydrophobicContact CB-CB 3.88Å; A57-F127 HydrophobicContact CB-CD2 3.87Å; A57-F127 HydrophobicContact CB-CG 3.94Å; A57-D135 WeakPolarHBondContact CA-OD1 3.48Å; A57-D135 WeakPolarHBondContact CB-OD1 2.97Å; A57-D135 PolarHBondContact N-OD1 3.44Å; A57-A137 HydrophobicContact CB-CB 4.35Å
58H93.7Very high92.5Very high71 Ų7150.8 Ų50.833%0.32923%0.234SC..Hα-helixtrans-58.1-24.5-178.383.3-108.8000113.1A56 W63 F127 D135A56-H58 VanDerWaalsContact C-N 3.32Å; A56-H58 WeakPolarHBondContact CB-ND1 3.22Å; A56-H58 PolarHBondContact O-N 2.7Å; H58-W63 HydrophobicContact CB-CZ2 3.94Å; H58-W63 PolarHBondContact O-NE1 3.29Å; H58-W63 VanDerWaalsContact O-NE1 3.11Å; H58-F127 HydrophobicContact CB-CE2 4.17Å; H58-F127 HydrophobicContact CB-CZ 4.01Å; H58-D135 WeakPolarHBondContact CB-OD1 2.98Å; H58-D135 IonicContact CE1-OD2 3.77Å; H58-D135 IonicContact CG-OD1 3.01Å; H58-D135 IonicContact CG-OD2 2.76Å; H58-D135 PolarHBondContact N-OD1 2.99Å; H58-D135 IonicContact ND1-OD1 3.01Å; H58-D135 PolarHBondContact ND1-OD1 3.2Å; H58-D135 IonicContact ND1-OD2 2.8Å; H58-D135 PolarHBondContact ND1-OD2 3.38Å
59C95Very high91.2Very high6 Ų647.3 Ų47.34%0.04121%0.213CC..Hα-helixtrans-67.7-36174.5-74.30000112.6R30 C37 A56 A57R30-C59 PolarHBondContact NH2-O 3.49Å; C37-C59 HydrophobicContact CB-CB 3.74Å; C37-C59 WeakPolarHBondContact CB-SG 3.5Å; C37-C59 WeakPolarHBondContact SG-CB 3.47Å; C37-C59 CovalentContact SG-SG 2.03Å; C37-C59 PolarHBondContact SG-SG 2.57Å; A56-C59 WeakPolarHBondContact O-CB 3.48Å; A56-C59 PolarHBondContact O-N 3.15Å; A57-C59 PolarHBondContact O-N 3.45Å
60L95.8Very high89.6Confident0 Ų051.2 Ų51.20%023%0.229CC..Hα-helixtrans-99.5-13.3-173.9-58.2176.3000113.3I28 T55 A57 D62 L92 V93 V98 L122 A137 I139I28-L60 HydrophobicContact CG1-CD2 4.39Å; T55-L60 HydrophobicContact CG2-CD1 4.08Å; T55-L60 HydrophobicContact CG2-CG 4.41Å; A57-L60 PolarHBondContact O-N 2.81Å; L60-D62 PolarHBondContact O-N 2.84Å; L60-L92 HydrophobicContact CB-CD2 4.14Å; L60-L92 CarbonylContact O-C 3.5Å; L60-L92 VanDerWaalsContact O-CA 3.31Å; L60-L92 WeakPolarHBondContact O-CA 3.36Å; L60-V93 PolarHBondContact O-N 3.3Å; L60-V98 HydrophobicContact CD2-CG1 4.47Å; L60-V98 HydrophobicContact CD2-CG2 4.22Å; L60-L122 HydrophobicContact CD1-CD2 3.98Å; L60-L122 HydrophobicContact CD2-CD1 4.4Å; L60-L122 HydrophobicContact CD2-CD2 4.1Å; L60-A137 HydrophobicContact CD1-CB 3.67Å; L60-I139 HydrophobicContact CD1-CD1 4.43Å; L60-I139 HydrophobicContact CD1-CG1 3.96Å; L60-I139 HydrophobicContact CD2-CD1 4.15Å; L60-I139 HydrophobicContact CD2-CG1 4.46Å
61V92.4Very high88Confident0 Ų054.9 Ų54.90%025%0.251CS..BIsolated β-bridgetrans-62.1131.2176.9168.60000111.1A57 W63 Y66 A90 P91 L92 F127A57-V61 WeakPolarHBondContact O-CG2 3.11Å; A57-V61 PolarHBondContact O-N 2.8Å; V61-W63 HydrophobicContact CB-CZ2 4.2Å; V61-W63 HydrophobicContact CG1-CD2 3.9Å; V61-W63 HydrophobicContact CG1-CE3 4.11Å; V61-W63 HydrophobicContact CG1-CG 4.34Å; V61-W63 HydrophobicContact CG1-CH2 4.38Å; V61-W63 HydrophobicContact CG1-CZ2 4.15Å; V61-W63 HydrophobicContact CG1-CZ3 4.35Å; V61-W63 VanDerWaalsContact O-CD1 3.32Å; V61-W63 PolarHBondContact O-N 2.83Å; V61-W63 VanDerWaalsContact O-N 3.16Å; V61-Y66 HydrophobicContact CG1-CG 4.2Å; V61-A90 HydrophobicContact CG2-CB 3.93Å; V61-P91 WeakPolarHBondContact CA-O 3.15Å; V61-L92 HydrophobicContact CG2-CD2 4.23Å; V61-F127 HydrophobicContact CG2-CD1 3.73Å; V61-F127 HydrophobicContact CG2-CE1 3.9Å; V61-F127 HydrophobicContact CG2-CG 4.5Å
62D91.8Very high86.4Confident50 Ų5058.8 Ų58.827%0.26728%0.279SS..  trans-76.794.1165.4-178.9-17.7000108.8L60 E64 R65 Y66 P91 V93L60-D62 PolarHBondContact O-N 2.84Å; D62-E64 PolarHBondContact O-N 2.82Å; D62-E64 PolarHBondContact OD1-N 2.8Å; D62-R65 HydrophobicContact CB-CB 4.15Å; D62-R65 PolarHBondContact O-N 2.89Å; D62-R65 PolarHBondContact OD1-N 3.24Å; D62-Y66 VanDerWaalsContact O-CB 3.24Å; D62-Y66 WeakPolarHBondContact O-CB 3.42Å; D62-Y66 PolarHBondContact O-N 3.37Å; D62-P91 HydrophobicContact CB-CB 4.49Å; D62-P91 PolarHBondContact N-O 3.3Å; D62-V93 HydrophobicContact CB-CG1 4.38Å
63W88.2Confident84.5Confident77 Ų7766.8 Ų66.829%0.29231%0.307SS..Hα-helixtrans-64.4-25.2-178.3-69.6104.5000114.2H58 V61 Y66 R67 F127 N129H58-W63 HydrophobicContact CB-CZ2 3.94Å; H58-W63 PolarHBondContact O-NE1 3.29Å; H58-W63 VanDerWaalsContact O-NE1 3.11Å; V61-W63 HydrophobicContact CB-CZ2 4.2Å; V61-W63 HydrophobicContact CG1-CD2 3.9Å; V61-W63 HydrophobicContact CG1-CE3 4.11Å; V61-W63 HydrophobicContact CG1-CG 4.34Å; V61-W63 HydrophobicContact CG1-CH2 4.38Å; V61-W63 HydrophobicContact CG1-CZ2 4.15Å; V61-W63 HydrophobicContact CG1-CZ3 4.35Å; V61-W63 VanDerWaalsContact O-CD1 3.32Å; V61-W63 PolarHBondContact O-N 2.83Å; V61-W63 VanDerWaalsContact O-N 3.16Å; W63-Y66 AromaticContact CE3-CD1 3.87Å; W63-Y66 HydrophobicContact CE3-CD1 3.87Å; W63-Y66 AromaticContact CZ3-CD1 3.68Å; W63-Y66 HydrophobicContact CZ3-CD1 3.68Å; W63-Y66 AromaticContact CZ3-CE1 3.98Å; W63-Y66 HydrophobicContact CZ3-CE1 3.98Å; W63-R67 VanDerWaalsContact O-CB 3.31Å; W63-R67 WeakPolarHBondContact O-CB 3.5Å; W63-R67 WeakPolarHBondContact O-CD 3.43Å; W63-R67 WeakPolarHBondContact O-CG 3.1Å; W63-R67 PolarHBondContact O-N 3.15Å; W63-F127 AromaticContact CH2-CE1 3.77Å; W63-F127 HydrophobicContact CH2-CE1 3.77Å; W63-F127 AromaticContact CH2-CZ 3.84Å; W63-F127 HydrophobicContact CH2-CZ 3.84Å; W63-F127 HydrophobicContact CZ2-CE1 4.35Å; W63-F127 HydrophobicContact CZ2-CZ 4.32Å; W63-N129 HydrophobicContact CH2-CB 4.33Å; W63-N129 WeakPolarHBondContact CH2-OD1 3.44Å; W63-N129 HydrophobicContact CZ3-CB 4.32Å
64E87.2Confident82.6Confident106 Ų10669 Ų6950%0.49532%0.318SS..Hα-helixtrans-71.9-48.4176.7-168.7-176156.600109.8D62 R67 K68D62-E64 PolarHBondContact O-N 2.82Å; D62-E64 PolarHBondContact OD1-N 2.8Å; E64-R67 PolarHBondContact O-N 3.43Å; E64-K68 WeakPolarHBondContact O-CG 3.4Å; E64-K68 PolarHBondContact O-N 2.67Å; E64-K68 VanDerWaalsContact O-N 3.12Å; E64-K68 WeakPolarHBondContact OE1-CE 3.34Å; E64-K68 IonicContact OE1-NZ 3.07Å; E64-K68 PolarHBondContact OE1-NZ 3.4Å
65R86Confident80.9Confident142 Ų14272.8 Ų72.854%0.53633%0.332SS..Hα-helixtrans-67-39.6176.1-170.8170.4170.1-158.61.7112D62 R67 K68 Q69 P91D62-R65 HydrophobicContact CB-CB 4.15Å; D62-R65 PolarHBondContact O-N 2.89Å; D62-R65 PolarHBondContact OD1-N 3.24Å; R65-R67 VanDerWaalsContact C-N 3.35Å; R65-R67 PolarHBondContact O-N 3.09Å; R65-K68 PolarHBondContact O-N 3.05Å; R65-Q69 PolarHBondContact O-N 3.14Å; R65-Q69 VanDerWaalsContact O-N 3.16Å; R65-P91 HydrophobicContact CB-CB 4.05Å; R65-P91 HydrophobicContact CB-CG 3.91Å; R65-P91 HydrophobicContact CG-CB 3.77Å; R65-P91 HydrophobicContact CG-CG 3.85Å
66Y83.4Confident79.5Confident5 Ų577.1 Ų77.12%0.0235%0.352CS..Hα-helixtrans-63.9-37.7177.8-172.1-106.6000112.5V61 D62 W63 Q69 R78 A90 P91 N129V61-Y66 HydrophobicContact CG1-CG 4.2Å; D62-Y66 VanDerWaalsContact O-CB 3.24Å; D62-Y66 WeakPolarHBondContact O-CB 3.42Å; D62-Y66 PolarHBondContact O-N 3.37Å; W63-Y66 AromaticContact CE3-CD1 3.87Å; W63-Y66 HydrophobicContact CE3-CD1 3.87Å; W63-Y66 AromaticContact CZ3-CD1 3.68Å; W63-Y66 HydrophobicContact CZ3-CD1 3.68Å; W63-Y66 AromaticContact CZ3-CE1 3.98Å; W63-Y66 HydrophobicContact CZ3-CE1 3.98Å; Y66-Q69 PolarHBondContact O-N 2.87Å; Y66-R78 PolarHBondContact OH-NH2 3.05Å; Y66-A90 HydrophobicContact CD2-CB 4.38Å; Y66-A90 HydrophobicContact CE2-CB 4.36Å; Y66-P91 HydrophobicContact CD2-CG 4.43Å; Y66-N129 HydrophobicContact CE1-CB 3.68Å; Y66-N129 PolarHBondContact OH-N 3.45Å
67R82.6Confident78Confident196 Ų19681.1 Ų81.174%0.7436%0.362SS*.Hα-helixtrans-71.3-37.1175.5-73.7171.974.9130.72.4112.3W63 E64 R65 Q69 K70W63-R67 VanDerWaalsContact O-CB 3.31Å; W63-R67 WeakPolarHBondContact O-CB 3.5Å; W63-R67 WeakPolarHBondContact O-CD 3.43Å; W63-R67 WeakPolarHBondContact O-CG 3.1Å; W63-R67 PolarHBondContact O-N 3.15Å; E64-R67 PolarHBondContact O-N 3.43Å; R65-R67 VanDerWaalsContact C-N 3.35Å; R65-R67 PolarHBondContact O-N 3.09Å; R67-Q69 PolarHBondContact O-N 2.89Å; R67-K70 PolarHBondContact O-N 3.45Å
68K78.1Confident76.3Confident129 Ų12983.7 Ų83.756%0.56137%0.372SS*.Hα-helixtrans-61-32.8174.7-73.7174.2-173169.70111.8E64 R65 K70 E74E64-K68 WeakPolarHBondContact O-CG 3.4Å; E64-K68 PolarHBondContact O-N 2.67Å; E64-K68 VanDerWaalsContact O-N 3.12Å; E64-K68 WeakPolarHBondContact OE1-CE 3.34Å; E64-K68 IonicContact OE1-NZ 3.07Å; E64-K68 PolarHBondContact OE1-NZ 3.4Å; R65-K68 PolarHBondContact O-N 3.05Å; K68-K70 PolarHBondContact O-N 3.18Å; K68-E74 VanDerWaalsContact O-OE2 3.04Å
69Q68.3Low74.9Confident46 Ų4685.5 Ų85.522%0.21538%0.384CS..THydrogen-bonded Turntrans-71.63.5176.2-74.8-178.3-19.500116R65 Y66 R67 E74R65-Q69 PolarHBondContact O-N 3.14Å; R65-Q69 VanDerWaalsContact O-N 3.16Å; Y66-Q69 PolarHBondContact O-N 2.87Å; R67-Q69 PolarHBondContact O-N 2.89Å; Q69-E74 VanDerWaalsContact C-CD 3.46Å; Q69-E74 VanDerWaalsContact CA-CD 3.46Å; Q69-E74 WeakPolarHBondContact CA-OE1 3.43Å; Q69-E74 WeakPolarHBondContact CA-OE2 2.88Å; Q69-E74 WeakPolarHBondContact O-CB 3.38Å; Q69-E74 VanDerWaalsContact O-OE2 3.05Å
70K62.5Low73.4Confident93 Ų9389 Ų8940%0.40440%0.402SS..THydrogen-bonded Turntrans-100.914.6-179-85.8-170.5174.6-177.70114R67 K68 E74R67-K70 PolarHBondContact O-N 3.45Å; K68-K70 PolarHBondContact O-N 3.18Å; K70-E74 PolarHBondContact N-OE2 3.2Å
71T63.1Low71.8Confident81 Ų8189.6 Ų89.650%0.49741%0.407SS..SBendtrans-62.1157.3174.964.30000111.2W73 E74 K75T71-W73 PolarHBondContact O-N 3.47Å; T71-W73 VanDerWaalsContact O-N 3.15Å; T71-E74 PolarHBondContact N-OE2 3.4Å; T71-E74 WeakPolarHBondContact O-CA 3.38Å; T71-E74 WeakPolarHBondContact O-CB 3.31Å; T71-E74 PolarHBondContact O-N 3.39Å; T71-E74 PolarHBondContact OG1-OE2 2.77Å; T71-K75 PolarHBondContact O-N 3.16Å; T71-K75 VanDerWaalsContact O-N 3.09Å
72S62.3Low70.2Confident101 Ų10195.5 Ų95.571%0.70643%0.43SS*.Hα-helixtrans-55.2-38-170-142.70000113.4E74 K75 M76S72-E74 VanDerWaalsContact C-N 3.33Å; S72-E74 PolarHBondContact O-N 3.47Å; S72-K75 PolarHBondContact O-N 2.62Å; S72-M76 PolarHBondContact O-N 2.88Å
73W57.6Low68.8Low208 Ų20899.4 Ų99.479%0.78845%0.45SS*.Hα-helixtrans-63.9-34.8175.4-174.8-111.8000113.1T71 M76 R77T71-W73 PolarHBondContact O-N 3.47Å; T71-W73 VanDerWaalsContact O-N 3.15Å; W73-M76 PolarHBondContact O-N 3.39Å; W73-R77 PolarHBondContact O-N 2.82Å
74E60.6Low67.8Low46 Ų46103.3 Ų103.322%0.21547%0.469CS..Hα-helixtrans-80.6-26.2179.2-6516613100112.7K68 Q69 K70 T71 S72 R77 R78K68-E74 VanDerWaalsContact O-OE2 3.04Å; Q69-E74 VanDerWaalsContact C-CD 3.46Å; Q69-E74 VanDerWaalsContact CA-CD 3.46Å; Q69-E74 WeakPolarHBondContact CA-OE1 3.43Å; Q69-E74 WeakPolarHBondContact CA-OE2 2.88Å; Q69-E74 WeakPolarHBondContact O-CB 3.38Å; Q69-E74 VanDerWaalsContact O-OE2 3.05Å; K70-E74 PolarHBondContact N-OE2 3.2Å; T71-E74 PolarHBondContact N-OE2 3.4Å; T71-E74 WeakPolarHBondContact O-CA 3.38Å; T71-E74 WeakPolarHBondContact O-CB 3.31Å; T71-E74 PolarHBondContact O-N 3.39Å; T71-E74 PolarHBondContact OG1-OE2 2.77Å; S72-E74 VanDerWaalsContact C-N 3.33Å; S72-E74 PolarHBondContact O-N 3.47Å; E74-R77 PolarHBondContact O-N 2.84Å; E74-R78 WeakPolarHBondContact O-CB 3.48Å; E74-R78 PolarHBondContact O-N 3.41Å
75K62.4Low66.2Low134 Ų134107.5 Ų107.558%0.58349%0.486SS*.Hα-helixtrans-61.6-46.1165.9-70.4-177.6-177.81760110.9T71 S72 R78 L79T71-K75 PolarHBondContact O-N 3.16Å; T71-K75 VanDerWaalsContact O-N 3.09Å; S72-K75 PolarHBondContact O-N 2.62Å; K75-R78 PolarHBondContact O-N 2.77Å; K75-L79 PolarHBondContact O-N 3.04Å
76M66.6Low64.5Low107 Ų107110.2 Ų110.253%0.52750%0.496SS..Hα-helixtrans-61-45.8174.6-177.464.377.100111S72 W73 R78 L79 L80S72-M76 PolarHBondContact O-N 2.88Å; W73-M76 PolarHBondContact O-N 3.39Å; M76-R78 VanDerWaalsContact C-N 3.32Å; M76-R78 PolarHBondContact O-N 2.86Å; M76-L79 WeakPolarHBondContact O-CB 3.5Å; M76-L79 PolarHBondContact O-N 2.9Å; M76-L79 VanDerWaalsContact O-N 3.11Å; M76-L80 HydrophobicContact CG-CD1 4.12Å; M76-L80 WeakPolarHBondContact O-CG 3.43Å; M76-L80 PolarHBondContact O-N 3.22Å
77R65.4Low63.2Low105 Ų105114.8 Ų114.840%0.39651%0.514SS..Hα-helixtrans-61.2-37.1176.1-163.4176.87180.5-0.3112.7W73 E74 G81 D88W73-R77 PolarHBondContact O-N 2.82Å; E74-R77 PolarHBondContact O-N 2.84Å; R77-G81 WeakPolarHBondContact O-CA 3.47Å; R77-G81 PolarHBondContact O-N 2.97Å; R77-D88 IonicContact CZ-OD1 3.67Å; R77-D88 IonicContact CZ-OD2 2.96Å; R77-D88 IonicContact NH1-OD1 3.74Å; R77-D88 PolarHBondContact NH1-OD1 3.36Å; R77-D88 IonicContact NH1-OD2 3.93Å; R77-D88 PolarHBondContact NH1-OD2 3.41Å; R77-D88 VanDerWaalsContact NH2-CG 3.31Å; R77-D88 IonicContact NH2-OD1 2.85Å; R77-D88 IonicContact NH2-OD2 3.89Å; R77-D88 PolarHBondContact NH2-OD2 3.21Å
78R60.1Low62.3Low54 Ų54108.4 Ų108.420%0.20450%0.495CS..Hα-helixtrans-68.8-37172.6-83.4178.4106.9156.9-0.8112.4Y66 E74 K75 M76 G81 R82 D128Y66-R78 PolarHBondContact OH-NH2 3.05Å; E74-R78 WeakPolarHBondContact O-CB 3.48Å; E74-R78 PolarHBondContact O-N 3.41Å; K75-R78 PolarHBondContact O-N 2.77Å; M76-R78 VanDerWaalsContact C-N 3.32Å; M76-R78 PolarHBondContact O-N 2.86Å; R78-G81 PolarHBondContact O-N 2.85Å; R78-R82 WeakPolarHBondContact O-CG 3.35Å; R78-R82 PolarHBondContact O-N 3.25Å; R78-D128 IonicContact NH2-OD1 2.7Å
79L63Low62.1Low110 Ų110110.8 Ų110.858%0.57650%0.5SS*.Hα-helixtrans-63.2-47.8175.7-137.7105.7000110.8K75 M76 R82 L83K75-L79 PolarHBondContact O-N 3.04Å; M76-L79 WeakPolarHBondContact O-CB 3.5Å; M76-L79 PolarHBondContact O-N 2.9Å; M76-L79 VanDerWaalsContact O-N 3.11Å; L79-R82 PolarHBondContact O-N 2.86Å; L79-L83 PolarHBondContact O-N 2.93Å
80L65.1Low62.9Low80 Ų80109.2 Ų109.242%0.41950%0.495SS..Hα-helixtrans-64.3-41.6173-68.4169.2000111.4M76 R82 L83 F84M76-L80 HydrophobicContact CG-CD1 4.12Å; M76-L80 WeakPolarHBondContact O-CG 3.43Å; M76-L80 PolarHBondContact O-N 3.22Å; L80-R82 VanDerWaalsContact C-N 3.31Å; L80-R82 PolarHBondContact O-N 3.08Å; L80-L83 HydrophobicContact CD2-CD1 4.39Å; L80-L83 CarbonylContact O-C 3.57Å; L80-L83 WeakPolarHBondContact O-CA 3.38Å; L80-L83 WeakPolarHBondContact O-CB 3.42Å; L80-L83 PolarHBondContact O-N 2.96Å; L80-F84 HydrophobicContact CB-CD2 4.42Å; L80-F84 HydrophobicContact CB-CE2 4.48Å; L80-F84 HydrophobicContact CD2-CE2 4.42Å; L80-F84 WeakPolarHBondContact O-CD2 3.39Å; L80-F84 PolarHBondContact O-N 2.89Å
81G60.8Low64.2Low11 Ų11105.1 Ų105.111%0.11348%0.478CS..Hα-helixtrans-61.1-35.517600000113.3R77 R78 F84 K85 R86R77-G81 WeakPolarHBondContact O-CA 3.47Å; R77-G81 PolarHBondContact O-N 2.97Å; R78-G81 PolarHBondContact O-N 2.85Å; G81-F84 CarbonylContact O-C 3.57Å; G81-F84 PolarHBondContact O-N 3.03Å; G81-K85 CarbonylContact O-C 3.4Å; G81-K85 WeakPolarHBondContact O-CA 3.46Å; G81-K85 PolarHBondContact O-N 3.1Å; G81-R86 PolarHBondContact O-N 2.95Å
82R59.5Low65.6Low125 Ų125103.2 Ų103.247%0.47246%0.464SS..Hα-helixtrans-64.3-39.6171.1-77176.4177.5175.60.6111.7R78 L79 L80 F84 Y87 D128R78-R82 WeakPolarHBondContact O-CG 3.35Å; R78-R82 PolarHBondContact O-N 3.25Å; L79-R82 PolarHBondContact O-N 2.86Å; L80-R82 VanDerWaalsContact C-N 3.31Å; L80-R82 PolarHBondContact O-N 3.08Å; R82-F84 VanDerWaalsContact C-N 3.35Å; R82-Y87 HydrophobicContact CG-CE2 3.98Å; R82-Y87 PolarHBondContact NE-OH 2.83Å; R82-D128 IonicContact NH2-OD2 2.73Å; R82-D128 PolarHBondContact NH2-OD2 2.84Å; R82-D128 VanDerWaalsContact NH2-OD2 3.14Å
83L63Low67.2Low132 Ų13299.2 Ų99.269%0.69144%0.435SS*.Hα-helixtrans-65.1-36.2173-75.9153.3000112.2L79 L80L79-L83 PolarHBondContact O-N 2.93Å; L80-L83 HydrophobicContact CD2-CD1 4.39Å; L80-L83 CarbonylContact O-C 3.57Å; L80-L83 WeakPolarHBondContact O-CA 3.38Å; L80-L83 WeakPolarHBondContact O-CB 3.42Å; L80-L83 PolarHBondContact O-N 2.96Å
84F65.8Low69Low158 Ų15896.6 Ų96.669%0.69343%0.429SS*.THydrogen-bonded Turntrans-98.610.9-178.1-65.2-68.2000115.1L80 G81 R82 R86L80-F84 HydrophobicContact CB-CD2 4.42Å; L80-F84 HydrophobicContact CB-CE2 4.48Å; L80-F84 HydrophobicContact CD2-CE2 4.42Å; L80-F84 WeakPolarHBondContact O-CD2 3.39Å; L80-F84 PolarHBondContact O-N 2.89Å; G81-F84 CarbonylContact O-C 3.57Å; G81-F84 PolarHBondContact O-N 3.03Å; R82-F84 VanDerWaalsContact C-N 3.35Å; F84-R86 PolarHBondContact O-N 3.19Å
85K53.6Low70.8Confident194 Ų19495.5 Ų95.584%0.84343%0.428SS*.THydrogen-bonded Turntrans51.824.2-174.6-65.1-178.4177.9176.50115.1G81 Y87G81-K85 CarbonylContact O-C 3.4Å; G81-K85 WeakPolarHBondContact O-CA 3.46Å; G81-K85 PolarHBondContact O-N 3.1Å; K85-Y87 PolarHBondContact O-N 3.03Å
86R50.8Low72.5Confident200 Ų20094.5 Ų94.576%0.75543%0.434SS*.  trans-98.486.2178.4-148.6-179.6-136.6168.44108.7G81 F84G81-R86 PolarHBondContact O-N 2.95Å; F84-R86 PolarHBondContact O-N 3.19Å
87Y55.4Low74Confident101 Ų10192.1 Ų92.140%0.39642%0.423SS..PPolyproline II helixtrans-86.4125176.6-114.6-99.4000109.9R82 K85 D128R82-Y87 HydrophobicContact CG-CE2 3.98Å; R82-Y87 PolarHBondContact NE-OH 2.83Å; K85-Y87 PolarHBondContact O-N 3.03Å; Y87-D128 PolarHBondContact OH-OD2 2.77Å
88D63.9Low75.5Confident62 Ų6287.2 Ų87.233%0.33241%0.405SS..PPolyproline II helixtrans-77.1128.8169-57.1-62.5000109.4R77R77-D88 IonicContact CZ-OD1 3.67Å; R77-D88 IonicContact CZ-OD2 2.96Å; R77-D88 IonicContact NH1-OD1 3.74Å; R77-D88 PolarHBondContact NH1-OD1 3.36Å; R77-D88 IonicContact NH1-OD2 3.93Å; R77-D88 PolarHBondContact NH1-OD2 3.41Å; R77-D88 VanDerWaalsContact NH2-CG 3.31Å; R77-D88 IonicContact NH2-OD1 2.85Å; R77-D88 IonicContact NH2-OD2 3.89Å; R77-D88 PolarHBondContact NH2-OD2 3.21Å
89R75.2Confident77.3Confident179 Ų17985.7 Ų85.768%0.67540%0.402SS*.PPolyproline II helixtrans-60.7140.2171.3-63.8179.7-179.5-158-8.6109.3E123R89-E123 IonicContact CZ-OE1 3.86Å; R89-E123 VanDerWaalsContact CZ-OE1 3.28Å; R89-E123 IonicContact NH1-OE1 3.28Å; R89-E123 PolarHBondContact NH1-OE1 3.18Å; R89-E123 IonicContact NH1-OE2 3.19Å; R89-E123 PolarHBondContact NH1-OE2 3.37Å; R89-E123 IonicContact NH2-OE1 3.56Å; R89-E123 PolarHBondContact NH2-OE1 3.16Å
90A83.5Confident79Confident12 Ų1280.5 Ų80.510%0.09937%0.374CS..PPolyproline II helixtrans-58.5135.9173.100000109.4V61 Y66 L92 F127V61-A90 HydrophobicContact CG2-CB 3.93Å; Y66-A90 HydrophobicContact CD2-CB 4.38Å; Y66-A90 HydrophobicContact CE2-CB 4.36Å; A90-L92 PolarHBondContact O-N 3.46Å; A90-F127 HydrophobicContact CB-CB 4.32Å; A90-F127 HydrophobicContact CB-CD1 4.03Å
91P90.1Very high80.5Confident8 Ų878.9 Ų78.95%0.05236%0.363CS..PPolyproline II helixtrans-65.8127176.427.7-29.7000108.8V61 D62 R65 Y66V61-P91 WeakPolarHBondContact CA-O 3.15Å; D62-P91 HydrophobicContact CB-CB 4.49Å; D62-P91 PolarHBondContact N-O 3.3Å; R65-P91 HydrophobicContact CB-CB 4.05Å; R65-P91 HydrophobicContact CB-CG 3.91Å; R65-P91 HydrophobicContact CG-CB 3.77Å; R65-P91 HydrophobicContact CG-CG 3.85Å; Y66-P91 HydrophobicContact CD2-CG 4.43Å
92L93Very high82.3Confident40 Ų4078.3 Ų78.321%0.20936%0.358CS..BIsolated β-bridgetrans-97.2157.3175.8-55.1-177.2000110.7L60 V61 A90 L122 A124L60-L92 HydrophobicContact CB-CD2 4.14Å; L60-L92 CarbonylContact O-C 3.5Å; L60-L92 VanDerWaalsContact O-CA 3.31Å; L60-L92 WeakPolarHBondContact O-CA 3.36Å; V61-L92 HydrophobicContact CG2-CD2 4.23Å; A90-L92 PolarHBondContact O-N 3.46Å; L92-L122 HydrophobicContact CD1-CB 3.99Å; L92-A124 HydrophobicContact CD1-CB 3.99Å; L92-A124 HydrophobicContact CD2-CB 3.88Å; L92-A124 HydrophobicContact CG-CB 4.49Å
93V95.7Very high84Confident17 Ų1772.6 Ų72.610%0.10334%0.337CS..PPolyproline II helixtrans-61.2161.3165.4-620000110.6I28 L60 D62 V98 L122I28-V93 HydrophobicContact CG2-CB 4.49Å; I28-V93 HydrophobicContact CG2-CG1 4.14Å; I28-V93 HydrophobicContact CG2-CG2 3.99Å; L60-V93 PolarHBondContact O-N 3.3Å; D62-V93 HydrophobicContact CB-CG1 4.38Å; V93-V98 HydrophobicContact CG2-CG2 3.65Å; V93-L122 HydrophobicContact CG2-CD1 4Å; V93-L122 WeakPolarHBondContact O-CD1 3.4Å
94K96.5Very high85.5Confident153 Ų15366.8 Ų66.867%0.66531%0.307SS*.PPolyproline II helixtrans-69.1141.4174.1-64.4-177.5179.7-1790110.2T96 N97K94-T96 PolarHBondContact O-N 3.12Å; K94-N97 WeakPolarHBondContact O-CB 3.32Å; K94-N97 PolarHBondContact O-N 2.73Å
95A97.5Very high86.9Confident23 Ų2360 Ų6019%0.1928%0.277CS..G310 helixtrans-53.4-38.9175.200000112.4N97 V98 V119 L122A95-N97 PolarHBondContact O-N 3.46Å; A95-N97 VanDerWaalsContact O-N 3.08Å; A95-V98 PolarHBondContact O-N 3.08Å; A95-V119 HydrophobicContact CB-CG1 3.98Å; A95-L122 HydrophobicContact CB-CG 4.35Å
96T97.5Very high88.7Confident114 Ų11451.7 Ų51.770%0.69924%0.242SC*.G310 helixtrans-60.4-18.817655.60000114.7K94K94-T96 PolarHBondContact O-N 3.12Å
97N97.8Very high90.5Very high57 Ų5745.1 Ų45.131%0.30522%0.219SC..G310 helixtrans-92-1177.9-70.628.9000112.5L29 K94 A95L29-N97 HydrophobicContact CB-CB 4.37Å; L29-N97 PolarHBondContact N-O 3.46Å; L29-N97 WeakPolarHBondContact O-CB 3.38Å; L29-N97 PolarHBondContact O-ND2 2.93Å; K94-N97 WeakPolarHBondContact O-CB 3.32Å; K94-N97 PolarHBondContact O-N 2.73Å; A95-N97 PolarHBondContact O-N 3.46Å; A95-N97 VanDerWaalsContact O-N 3.08Å
98V98.4Very high92Very high2 Ų244.1 Ų44.11%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-111.7132.8-178.6-173.10000108.8V26 H27 I28 L60 V93 A95 V119 L122 I139V26-V98 HydrophobicContact CG1-CG1 3.67Å; H27-V98 WeakPolarHBondContact O-CA 3.18Å; I28-V98 HydrophobicContact CG1-CG1 4.46Å; I28-V98 HydrophobicContact CG1-CG2 4.32Å; I28-V98 HydrophobicContact CG2-CG2 4.47Å; L60-V98 HydrophobicContact CD2-CG1 4.47Å; L60-V98 HydrophobicContact CD2-CG2 4.22Å; V93-V98 HydrophobicContact CG2-CG2 3.65Å; A95-V98 PolarHBondContact O-N 3.08Å; V98-V119 HydrophobicContact CB-CB 4.33Å; V98-V119 HydrophobicContact CB-CG2 3.97Å; V98-V119 HydrophobicContact CG1-CG2 3.83Å; V98-L122 HydrophobicContact CG2-CD1 4.02Å; V98-L122 HydrophobicContact CG2-CD2 4.46Å; V98-I139 HydrophobicContact CG1-CD1 4.34Å
99T98Very high93.1Very high22 Ų2250.6 Ų50.614%0.13524%0.243CC..EExtended strand (participates in β ladder)trans-126.9137.5171.8-59.60000108.5H27 Y101 K116H27-T99 PolarHBondContact N-O 2.94Å; H27-T99 PolarHBondContact O-N 2.91Å; T99-Y101 HydrophobicContact CG2-CD2 4.25Å; T99-Y101 HydrophobicContact CG2-CE2 3.7Å; T99-K116 HydrophobicContact CG2-CD 4.19Å; T99-K116 HydrophobicContact CG2-CG 3.5Å; T99-K116 VanDerWaalsContact CG2-CG 3.5Å
100V98.2Very high93.6Very high0 Ų045.8 Ų45.80%024%0.236CC..EExtended strand (participates in β ladder)trans-108.5136.8176.8175.80000109A24 L25 I53 L102 I117 V119 I139 L141A24-V100 HydrophobicContact CB-CG1 4.05Å; L25-V100 WeakPolarHBondContact O-CA 3.43Å; I53-V100 HydrophobicContact CD1-CG1 4.14Å; I53-V100 HydrophobicContact CG1-CG1 4.01Å; I53-V100 HydrophobicContact CG1-CG2 4.3Å; V100-L102 HydrophobicContact CG1-CD2 4.36Å; V100-L102 HydrophobicContact CG1-CG 4.23Å; V100-I117 PolarHBondContact N-O 2.87Å; V100-I117 PolarHBondContact O-N 2.86Å; V100-V119 HydrophobicContact CG2-CG2 3.98Å; V100-I139 HydrophobicContact CG2-CD1 4.36Å; V100-I139 HydrophobicContact CG2-CG2 4.18Å; V100-L141 HydrophobicContact CB-CD2 3.84Å; V100-L141 HydrophobicContact CG1-CD2 4.23Å; V100-L141 HydrophobicContact CG2-CD2 3.78Å
101Y97.1Very high93.8Very high46 Ų4647.8 Ų47.818%0.1825%0.245CC..EExtended strand (participates in β ladder)trans-113.8135.2169.6-58.7-107.3000110.2A24 L25 H27 T99 L104 E115 K116A24-Y101 WeakPolarHBondContact CA-O 3.29Å; L25-Y101 HydrophobicContact CD2-CD2 4.37Å; L25-Y101 PolarHBondContact N-O 3.06Å; L25-Y101 PolarHBondContact O-N 2.94Å; H27-Y101 HydrophobicContact CB-CE2 4.07Å; T99-Y101 HydrophobicContact CG2-CD2 4.25Å; T99-Y101 HydrophobicContact CG2-CE2 3.7Å; Y101-L104 HydrophobicContact CG-CD2 4.32Å; Y101-E115 CarbonylContact C-O 3.12Å; Y101-E115 WeakPolarHBondContact CA-O 3.37Å; Y101-K116 HydrophobicContact CD1-CB 3.89Å; Y101-K116 HydrophobicContact CD1-CG 4.05Å; Y101-K116 HydrophobicContact CE1-CB 3.76Å; Y101-K116 HydrophobicContact CE1-CD 3.78Å; Y101-K116 HydrophobicContact CE1-CG 3.55Å; Y101-K116 HydrophobicContact CE2-CG 4.41Å; Y101-K116 WeakPolarHBondContact OH-CE 3.37Å
102L97.5Very high93.7Very high0 Ų054.8 Ų54.80%029%0.287CS..EExtended strand (participates in β ladder)trans-124.5157.9176.9-64.6172000110.1A24 L41 I53 V100 L104 S114 E115 I117 L141 V145 V151A24-L102 HydrophobicContact CB-CD2 3.69Å; L41-L102 HydrophobicContact CB-CD2 4.24Å; L41-L102 HydrophobicContact CD1-CD1 4.31Å; L41-L102 HydrophobicContact CD2-CD1 4.2Å; I53-L102 HydrophobicContact CD1-CD2 4.18Å; V100-L102 HydrophobicContact CG1-CD2 4.36Å; V100-L102 HydrophobicContact CG1-CG 4.23Å; L102-L104 PolarHBondContact O-N 3.33Å; L102-L104 VanDerWaalsContact O-N 3.1Å; L102-S114 CarbonylContact O-C 3.58Å; L102-S114 VanDerWaalsContact O-CA 3.31Å; L102-S114 WeakPolarHBondContact O-CA 3.45Å; L102-E115 PolarHBondContact N-O 2.73Å; L102-E115 PolarHBondContact O-N 2.03Å; L102-I117 HydrophobicContact CD1-CD1 3.71Å; L102-I117 HydrophobicContact CG-CD1 4.31Å; L102-L141 HydrophobicContact CD1-CD1 4.37Å; L102-V145 HydrophobicContact CD1-CB 4.21Å; L102-V145 HydrophobicContact CD1-CG1 4.04Å; L102-V145 HydrophobicContact CD1-CG2 3.79Å; L102-V151 HydrophobicContact CB-CG1 4.2Å; L102-V151 HydrophobicContact CB-CG2 3.92Å; L102-V151 HydrophobicContact CD1-CG1 4.08Å
103G95.8Very high93.6Very high5 Ų556.2 Ų56.25%0.05229%0.293CS..SBendtrans67.77.8-179.300000114.3H18 A150H18-G103 PolarHBondContact CE1-O 2.82Å; G103-A150 WeakPolarHBondContact CA-O 3.3Å
104L94.6Very high93.5Very high10 Ų1056.6 Ų56.65%0.05230%0.296CS..  trans-83.1135.4-175-16765.9000110.8L25 Y101 L102 D106 F107 P110 S114 W175L25-L104 HydrophobicContact CB-CD2 4.36Å; L25-L104 HydrophobicContact CD2-CD2 3.71Å; Y101-L104 HydrophobicContact CG-CD2 4.32Å; L102-L104 PolarHBondContact O-N 3.33Å; L102-L104 VanDerWaalsContact O-N 3.1Å; L104-D106 WeakPolarHBondContact CD1-O 3.03Å; L104-F107 HydrophobicContact CD2-CB 3.61Å; L104-F107 HydrophobicContact CG-CB 4.39Å; L104-P110 HydrophobicContact CD1-CB 3.84Å; L104-P110 HydrophobicContact CD1-CG 4.1Å; L104-S114 WeakPolarHBondContact CD1-OG 3.41Å; L104-W175 HydrophobicContact CB-CZ2 4.38Å; L104-W175 WeakPolarHBondContact O-CZ2 3.2Å
105H93.9Very high93.4Very high14 Ų1452 Ų527%0.06528%0.278CS..SBendtrans-109.5-52.8169.7-177.959.5000111E14 A15 I17 W175 K186 L187E14-H105 IonicContact OE1-CD2 2.96Å; E14-H105 IonicContact OE1-CE1 2.87Å; E14-H105 IonicContact OE1-NE2 2.6Å; E14-H105 PolarHBondContact OE1-NE2 3.31Å; A15-H105 PolarHBondContact O-CE1 3Å; I17-H105 HydrophobicContact CG2-CB 4.2Å; H105-W175 PolarHBondContact O-NE1 2.95Å; H105-K186 CarbonylContact O-C 3.56Å; H105-K186 WeakPolarHBondContact O-CA 3.3Å; H105-L187 PolarHBondContact O-N 3.02Å
106D92.8Very high93.3Very high21 Ų2157.7 Ų57.711%0.11230%0.298CS..BIsolated β-bridgetrans-114.3113.9176.9-172.6-24.8000109.8L104 T108 R109 T185 K186L104-D106 WeakPolarHBondContact CD1-O 3.03Å; D106-T108 PolarHBondContact O-N 2.92Å; D106-T108 WeakPolarHBondContact OD1-CA 3.39Å; D106-T108 WeakPolarHBondContact OD1-CB 3.45Å; D106-T108 PolarHBondContact OD1-N 3.11Å; D106-T108 PolarHBondContact OD1-OG1 3.04Å; D106-T108 PolarHBondContact OD2-OG1 3.1Å; D106-R109 HydrophobicContact CB-CB 4.44Å; D106-R109 CarbonylContact O-C 3.59Å; D106-R109 PolarHBondContact O-N 3.16Å; D106-R109 VanDerWaalsContact O-N 3.14Å; D106-R109 PolarHBondContact OD1-N 3Å; D106-T185 WeakPolarHBondContact CA-O 3.29Å; D106-K186 HydrophobicContact CB-CG 4.12Å
107F87.8Confident93.3Very high61 Ų6152.4 Ų52.427%0.26827%0.266SS..THydrogen-bonded Turntrans-74.4-10.8-178.467.8-109.9000113.9L25 L36 L104 W175 T183 G184 T185L25-F107 HydrophobicContact CD2-CB 3.9Å; L25-F107 HydrophobicContact CD2-CG 4.43Å; L36-F107 HydrophobicContact CD1-CE1 4.43Å; L36-F107 HydrophobicContact CD1-CZ 4.4Å; L104-F107 HydrophobicContact CD2-CB 3.61Å; L104-F107 HydrophobicContact CG-CB 4.39Å; F107-W175 HydrophobicContact CD1-CB 4.19Å; F107-W175 AromaticContact CD1-CD1 3.52Å; F107-W175 AromaticContact CD1-CG 3.89Å; F107-W175 HydrophobicContact CD1-CG 3.89Å; F107-W175 HydrophobicContact CE1-CB 3.98Å; F107-W175 AromaticContact CE1-CD1 3.89Å; F107-W175 HydrophobicContact CE1-CG 4.14Å; F107-T183 HydrophobicContact CE1-CG2 4.35Å; F107-T183 HydrophobicContact CZ-CG2 4.22Å; F107-G184 WeakPolarHBondContact CE1-O 3.47Å; F107-T185 VanDerWaalsContact CD1-O 3.27Å; F107-T185 WeakPolarHBondContact CD1-O 3.49Å; F107-T185 HydrophobicContact CE2-CG2 4.47Å; F107-T185 HydrophobicContact CZ-CG2 4.27Å; F107-T185 PolarHBondContact N-O 2.7Å
108T87.3Confident93.3Very high80 Ų8057.4 Ų57.449%0.49128%0.28SS..THydrogen-bonded Turntrans-85.6-18.9171.269.30000112.3D106 T185D106-T108 PolarHBondContact O-N 2.92Å; D106-T108 WeakPolarHBondContact OD1-CA 3.39Å; D106-T108 WeakPolarHBondContact OD1-CB 3.45Å; D106-T108 PolarHBondContact OD1-N 3.11Å; D106-T108 PolarHBondContact OD1-OG1 3.04Å; D106-T108 PolarHBondContact OD2-OG1 3.1Å; T108-T185 HydrophobicContact CG2-CG2 3.49Å; T108-T185 VanDerWaalsContact CG2-CG2 3.49Å
109R86.5Confident93.3Very high198 Ų19857.5 Ų57.575%0.74728%0.281SS*.SBendtrans-136.870.4178-60.5-177.6-172.6-176.22.3110.8D106 N111D106-R109 HydrophobicContact CB-CB 4.44Å; D106-R109 CarbonylContact O-C 3.59Å; D106-R109 PolarHBondContact O-N 3.16Å; D106-R109 VanDerWaalsContact O-N 3.14Å; D106-R109 PolarHBondContact OD1-N 3Å; R109-N111 PolarHBondContact O-N 3.43Å
110P86.5Confident93.3Very high79 Ų7959.2 Ų59.251%0.51330%0.297SS..  trans-55.2131.2173.9-2233.3000110.4L104L104-P110 HydrophobicContact CD1-CB 3.84Å; L104-P110 HydrophobicContact CD1-CG 4.1Å
111N87.2Confident93.3Very high54 Ų5461.5 Ų61.529%0.28932%0.316SS..  trans-88.7173.4177.467.122.5000110.7H18 R109 M113 S114H18-N111 PolarHBondContact CE1-ND2 3.19Å; R109-N111 PolarHBondContact O-N 3.43Å; N111-M113 PolarHBondContact O-N 2.95Å; N111-M113 VanDerWaalsContact O-N 3.12Å; N111-M113 PolarHBondContact OD1-N 2.75Å; N111-M113 VanDerWaalsContact OD1-N 3.09Å; N111-S114 PolarHBondContact N-OG 2.88Å; N111-S114 VanDerWaalsContact O-CB 3.29Å; N111-S114 WeakPolarHBondContact O-CB 3.5Å; N111-S114 PolarHBondContact O-N 3.36Å; N111-S114 PolarHBondContact O-OG 3.21Å; N111-S114 PolarHBondContact OD1-N 3.45Å; N111-S114 PolarHBondContact OD1-OG 3.13Å
112V89Confident93.4Very high154 Ų15460.4 Ų60.493%0.93331%0.313SS*.THydrogen-bonded Turntrans-60.7-20.7-179.9-114.20000114
113M89.8Confident93.2Very high71 Ų7165 Ų6535%0.3533%0.334SS..THydrogen-bonded Turntrans-90.8-5.1178.4-58.6-61-6300112.7N111 V149 A150N111-M113 PolarHBondContact O-N 2.95Å; N111-M113 VanDerWaalsContact O-N 3.12Å; N111-M113 PolarHBondContact OD1-N 2.75Å; N111-M113 VanDerWaalsContact OD1-N 3.09Å; M113-V149 HydrophobicContact CE-CG2 3.89Å; M113-A150 HydrophobicContact CB-CB 3.75Å; M113-A150 HydrophobicContact CE-CB 4.18Å; M113-A150 HydrophobicContact CG-CB 4.46Å
114S93.2Very high93.1Very high24 Ų2465.7 Ų65.717%0.16834%0.34CS..  trans-81125.4-179.2-58.10000110L102 L104 N111L102-S114 CarbonylContact O-C 3.58Å; L102-S114 VanDerWaalsContact O-CA 3.31Å; L102-S114 WeakPolarHBondContact O-CA 3.45Å; L104-S114 WeakPolarHBondContact CD1-OG 3.41Å; N111-S114 PolarHBondContact N-OG 2.88Å; N111-S114 VanDerWaalsContact O-CB 3.29Å; N111-S114 WeakPolarHBondContact O-CB 3.5Å; N111-S114 PolarHBondContact O-N 3.36Å; N111-S114 PolarHBondContact O-OG 3.21Å; N111-S114 PolarHBondContact OD1-N 3.45Å; N111-S114 PolarHBondContact OD1-OG 3.13Å
115E94.3Very high92.8Very high58 Ų5866.5 Ų66.527%0.27135%0.35SS..EExtended strand (participates in β ladder)trans-104.6131.9179.8-66.4-174.5-133.300110.5Y101 L102 I117 V145Y101-E115 CarbonylContact C-O 3.12Å; Y101-E115 WeakPolarHBondContact CA-O 3.37Å; L102-E115 PolarHBondContact N-O 2.73Å; L102-E115 PolarHBondContact O-N 2.03Å; E115-I117 HydrophobicContact CB-CD1 3.89Å; E115-I117 HydrophobicContact CB-CG1 4.18Å; E115-V145 WeakPolarHBondContact OE2-CG1 3.43Å
116K96.1Very high92.4Very high141 Ų14174.9 Ų74.961%0.61338%0.381SS*.EExtended strand (participates in β ladder)trans-110112174.7179.5-171.8179.2-173.80109T99 Y101T99-K116 HydrophobicContact CG2-CD 4.19Å; T99-K116 HydrophobicContact CG2-CG 3.5Å; T99-K116 VanDerWaalsContact CG2-CG 3.5Å; Y101-K116 HydrophobicContact CD1-CB 3.89Å; Y101-K116 HydrophobicContact CD1-CG 4.05Å; Y101-K116 HydrophobicContact CE1-CB 3.76Å; Y101-K116 HydrophobicContact CE1-CD 3.78Å; Y101-K116 HydrophobicContact CE1-CG 3.55Å; Y101-K116 HydrophobicContact CE2-CG 4.41Å; Y101-K116 WeakPolarHBondContact OH-CE 3.37Å
117I97.5Very high91.9Very high4 Ų474.2 Ų74.22%0.02138%0.377CS..EExtended strand (participates in β ladder)trans-122.7138.5-167.5-56146.3000110.1V100 L102 E115 L141 E143 V145V100-I117 PolarHBondContact N-O 2.87Å; V100-I117 PolarHBondContact O-N 2.86Å; L102-I117 HydrophobicContact CD1-CD1 3.71Å; L102-I117 HydrophobicContact CG-CD1 4.31Å; E115-I117 HydrophobicContact CB-CD1 3.89Å; E115-I117 HydrophobicContact CB-CG1 4.18Å; I117-L141 HydrophobicContact CD1-CD1 4.22Å; I117-L141 HydrophobicContact CG2-CB 3.93Å; I117-L141 HydrophobicContact CG2-CD1 4.16Å; I117-L141 HydrophobicContact CG2-CD2 4.23Å; I117-L141 HydrophobicContact CG2-CG 4.32Å; I117-E143 HydrophobicContact CG2-CG 4.25Å; I117-V145 HydrophobicContact CD1-CG2 3.29Å; I117-V145 HydrophobicContact CG1-CG2 4.36Å
118R98.3Very high91.5Very high162 Ų16271.3 Ų71.361%0.61137%0.365SS*.EExtended strand (participates in β ladder)trans-80.9159.8175.2-68.6-168.7-58.3-86.2-8.5111.3E142R118-E142 HydrophobicContact CB-CG 3.98Å; R118-E142 VanDerWaalsContact CB-OE1 3.24Å; R118-E142 WeakPolarHBondContact CB-OE1 3.26Å; R118-E142 IonicContact CZ-OE2 2.74Å; R118-E142 VanDerWaalsContact NE-CD 3.34Å; R118-E142 IonicContact NE-OE1 3.31Å; R118-E142 PolarHBondContact NE-OE1 2.94Å; R118-E142 VanDerWaalsContact NE-OE1 3.15Å; R118-E142 IonicContact NE-OE2 3.13Å; R118-E142 PolarHBondContact NE-OE2 3.39Å; R118-E142 IonicContact NH2-OE2 2.95Å; R118-E142 PolarHBondContact NH2-OE2 3.14Å; R118-E142 PolarHBondContact O-N 2.92Å
119V98.6Very high91Very high4 Ų470.6 Ų70.62%0.02436%0.358CS..EExtended strand (participates in β ladder)trans-106.4127.9-176.6173.90000110.3A95 V98 V100 A121 L122 I139 K140 L141A95-V119 HydrophobicContact CB-CG1 3.98Å; V98-V119 HydrophobicContact CB-CB 4.33Å; V98-V119 HydrophobicContact CB-CG2 3.97Å; V98-V119 HydrophobicContact CG1-CG2 3.83Å; V100-V119 HydrophobicContact CG2-CG2 3.98Å; V119-A121 WeakPolarHBondContact CG1-O 3.24Å; V119-L122 HydrophobicContact CG1-CD2 3.62Å; V119-L122 HydrophobicContact CG1-CG 4.16Å; V119-I139 HydrophobicContact CB-CG2 4.06Å; V119-I139 HydrophobicContact CG1-CG2 3.46Å; V119-I139 VanDerWaalsContact CG1-CG2 3.46Å; V119-I139 HydrophobicContact CG2-CG2 3.41Å; V119-I139 VanDerWaalsContact CG2-CG2 3.41Å; V119-K140 WeakPolarHBondContact CG1-O 3.48Å; V119-L141 HydrophobicContact CG2-CD2 4.47Å
120A98.2Very high90.3Very high57 Ų5764.1 Ų64.147%0.47134%0.343SS..EExtended strand (participates in β ladder)trans-83.6-41.8175.300000112.6K140 E142A120-K140 HydrophobicContact CB-CG 4.29Å; A120-K140 PolarHBondContact N-O 2.65Å; A120-E142 HydrophobicContact CB-CG 4.03Å
121A98.2Very high89.6Confident48 Ų4863.2 Ų63.240%0.39734%0.336SS..EExtended strand (participates in β ladder)trans-151.7157.8-176.800000112.6V119 K140V119-A121 WeakPolarHBondContact CG1-O 3.24Å; A121-K140 HydrophobicContact CB-CB 4.07Å; A121-K140 PolarHBondContact N-O 2.92Å; A121-K140 PolarHBondContact O-N 2.94Å
122L97.6Very high88.9Confident24 Ų2463 Ų6313%0.12634%0.337CS..EExtended strand (participates in β ladder)trans-129.9134177.1-57.7174.9000108.1L60 L92 V93 A95 V98 V119 I139L60-L122 HydrophobicContact CD1-CD2 3.98Å; L60-L122 HydrophobicContact CD2-CD1 4.4Å; L60-L122 HydrophobicContact CD2-CD2 4.1Å; L92-L122 HydrophobicContact CD1-CB 3.99Å; V93-L122 HydrophobicContact CG2-CD1 4Å; V93-L122 WeakPolarHBondContact O-CD1 3.4Å; A95-L122 HydrophobicContact CB-CG 4.35Å; V98-L122 HydrophobicContact CG2-CD1 4.02Å; V98-L122 HydrophobicContact CG2-CD2 4.46Å; V119-L122 HydrophobicContact CG1-CD2 3.62Å; V119-L122 HydrophobicContact CG1-CG 4.16Å; L122-I139 HydrophobicContact CD2-CB 4.15Å; L122-I139 HydrophobicContact CD2-CD1 4.49Å; L122-I139 HydrophobicContact CD2-CG1 3.8Å; L122-I139 HydrophobicContact CD2-CG2 3.89Å
123E94.9Very high88.4Confident95 Ų9557 Ų5744%0.44430%0.301SS..EExtended strand (participates in β ladder)trans-134.5133.5171.8-172.969.9-179.600108.7R89 A137 L138R89-E123 IonicContact CZ-OE1 3.86Å; R89-E123 VanDerWaalsContact CZ-OE1 3.28Å; R89-E123 IonicContact NH1-OE1 3.28Å; R89-E123 PolarHBondContact NH1-OE1 3.18Å; R89-E123 IonicContact NH1-OE2 3.19Å; R89-E123 PolarHBondContact NH1-OE2 3.37Å; R89-E123 IonicContact NH2-OE1 3.56Å; R89-E123 PolarHBondContact NH2-OE1 3.16Å; E123-A137 CarbonylContact O-C 3.54Å; E123-A137 VanDerWaalsContact O-CA 3.28Å; E123-A137 WeakPolarHBondContact O-CA 3.44Å; E123-A137 WeakPolarHBondContact O-CB 3.13Å; E123-L138 PolarHBondContact N-O 3.12Å; E123-L138 PolarHBondContact O-N 3.09Å
124A92.9Very high88.2Confident20 Ų2055.7 Ų55.717%0.16530%0.295CS..EExtended strand (participates in β ladder)trans-118153.1177.800000110.8A57 L92 A137A57-A124 HydrophobicContact CB-CB 4.04Å; L92-A124 HydrophobicContact CD1-CB 3.99Å; L92-A124 HydrophobicContact CD2-CB 3.88Å; L92-A124 HydrophobicContact CG-CB 4.49Å; A124-A137 HydrophobicContact CB-CB 3.98Å
125G88.2Confident88.1Confident27 Ų2757 Ų5728%0.27830%0.3SS..  trans-61.5-175.1168.800000112.5F127 I136G125-F127 PolarHBondContact O-N 2.9Å; G125-I136 PolarHBondContact N-O 3.49Å
126R85.2Confident88.1Confident190 Ų19058.4 Ų58.472%0.71731%0.308SS*.  trans-77.856.8179.6-59.6-179.2-177.8176.82.3111.5D128 D134R126-D128 PolarHBondContact O-N 3.47Å; R126-D134 HydrophobicContact CB-CB 4.44Å
127F82.6Confident88.2Confident7 Ų751.8 Ų51.83%0.03128%0.28CS..  trans-56124.3-173.7-179.7-109.2000112.3A57 H58 V61 W63 A90 G125 N129 T133 D135A57-F127 HydrophobicContact CB-CB 3.88Å; A57-F127 HydrophobicContact CB-CD2 3.87Å; A57-F127 HydrophobicContact CB-CG 3.94Å; H58-F127 HydrophobicContact CB-CE2 4.17Å; H58-F127 HydrophobicContact CB-CZ 4.01Å; V61-F127 HydrophobicContact CG2-CD1 3.73Å; V61-F127 HydrophobicContact CG2-CE1 3.9Å; V61-F127 HydrophobicContact CG2-CG 4.5Å; W63-F127 AromaticContact CH2-CE1 3.77Å; W63-F127 HydrophobicContact CH2-CE1 3.77Å; W63-F127 AromaticContact CH2-CZ 3.84Å; W63-F127 HydrophobicContact CH2-CZ 3.84Å; W63-F127 HydrophobicContact CZ2-CE1 4.35Å; W63-F127 HydrophobicContact CZ2-CZ 4.32Å; A90-F127 HydrophobicContact CB-CB 4.32Å; A90-F127 HydrophobicContact CB-CD1 4.03Å; G125-F127 PolarHBondContact O-N 2.9Å; F127-N129 HydrophobicContact CE1-CB 3.94Å; F127-N129 HydrophobicContact CZ-CB 4.03Å; F127-T133 WeakPolarHBondContact CA-O 3.39Å; F127-D135 HydrophobicContact CD2-CB 4.05Å; F127-D135 HydrophobicContact CE2-CB 4Å
128D79.5Confident88.2Confident1 Ų155.2 Ų55.21%0.00530%0.298CS..BIsolated β-bridgetrans-129.3104.9171.9-171.5-19.9000110.1R78 R82 Y87 R126 S130 T131 V132 T133R78-D128 IonicContact NH2-OD1 2.7Å; R82-D128 IonicContact NH2-OD2 2.73Å; R82-D128 PolarHBondContact NH2-OD2 2.84Å; R82-D128 VanDerWaalsContact NH2-OD2 3.14Å; Y87-D128 PolarHBondContact OH-OD2 2.77Å; R126-D128 PolarHBondContact O-N 3.47Å; D128-S130 VanDerWaalsContact CG-OG 3.31Å; D128-S130 PolarHBondContact O-N 2.82Å; D128-S130 VanDerWaalsContact O-N 3.08Å; D128-S130 WeakPolarHBondContact OD1-CB 3.31Å; D128-S130 PolarHBondContact OD1-N 3Å; D128-S130 PolarHBondContact OD1-OG 2.83Å; D128-S130 PolarHBondContact OD2-OG 2.87Å; D128-T131 WeakPolarHBondContact CB-OG1 3.49Å; D128-T131 PolarHBondContact O-N 2.77Å; D128-T131 PolarHBondContact O-OG1 2.85Å; D128-V132 WeakPolarHBondContact O-CA 3.18Å; D128-V132 PolarHBondContact O-N 3.31Å; D128-T133 PolarHBondContact N-O 3.37Å; D128-T133 VanDerWaalsContact N-O 3.16Å; D128-T133 PolarHBondContact O-N 2.97Å
129N76.9Confident88.2Confident65 Ų6547.5 Ų47.535%0.34827%0.269SS..THydrogen-bonded Turntrans-61.5-16178.8-170.883.5000114.6W63 Y66 F127W63-N129 HydrophobicContact CH2-CB 4.33Å; W63-N129 WeakPolarHBondContact CH2-OD1 3.44Å; W63-N129 HydrophobicContact CZ3-CB 4.32Å; Y66-N129 HydrophobicContact CE1-CB 3.68Å; Y66-N129 PolarHBondContact OH-N 3.45Å; F127-N129 HydrophobicContact CE1-CB 3.94Å; F127-N129 HydrophobicContact CZ-CB 4.03Å
130S71.9Confident88.2Confident62 Ų6251.1 Ų51.143%0.43428%0.284SS..THydrogen-bonded Turntrans-79.1-32.3177.363.70000112.6D128D128-S130 VanDerWaalsContact CG-OG 3.31Å; D128-S130 PolarHBondContact O-N 2.82Å; D128-S130 VanDerWaalsContact O-N 3.08Å; D128-S130 WeakPolarHBondContact OD1-CB 3.31Å; D128-S130 PolarHBondContact OD1-N 3Å; D128-S130 PolarHBondContact OD1-OG 2.83Å; D128-S130 PolarHBondContact OD2-OG 2.87Å
131T71.5Confident88.2Confident60 Ų6048.4 Ų48.437%0.36826%0.262SS..THydrogen-bonded Turntrans-108.6-5.7-179.850.20000112.7D128 T133D128-T131 WeakPolarHBondContact CB-OG1 3.49Å; D128-T131 PolarHBondContact O-N 2.77Å; D128-T131 PolarHBondContact O-OG1 2.85Å; T131-T133 PolarHBondContact O-N 2.96Å; T131-T133 PolarHBondContact OG1-OG1 3.29Å
132V72.3Confident88.2Confident50 Ų5050.6 Ų50.630%0.30326%0.264SS..THydrogen-bonded Turntrans53.333-173.8-162.30000111.4D128 Y203 M209D128-V132 WeakPolarHBondContact O-CA 3.18Å; D128-V132 PolarHBondContact O-N 3.31Å; V132-Y203 HydrophobicContact CG2-CD1 4.26Å; V132-M209 HydrophobicContact CB-CE 4.1Å; V132-M209 HydrophobicContact CG1-CE 4.1Å; V132-M209 WeakPolarHBondContact O-CE 3.27Å
133T78.1Confident88.1Confident28 Ų2855.2 Ų55.217%0.17229%0.285CS..BIsolated β-bridgetrans-90.9146.2-178.550.80000111.2F127 D128 T131 D135F127-T133 WeakPolarHBondContact CA-O 3.39Å; D128-T133 PolarHBondContact N-O 3.37Å; D128-T133 VanDerWaalsContact N-O 3.16Å; D128-T133 PolarHBondContact O-N 2.97Å; T131-T133 PolarHBondContact O-N 2.96Å; T131-T133 PolarHBondContact OG1-OG1 3.29Å; T133-D135 VanDerWaalsContact C-N 3.31Å; T133-D135 PolarHBondContact O-N 2.96Å
134D85.2Confident88.1Confident43 Ų4356.9 Ų56.923%0.2329%0.291CS..  trans55.842.1174.8-56.7-12.8000113.2R126 I136 R208R126-D134 HydrophobicContact CB-CB 4.44Å; D134-I136 PolarHBondContact O-N 3.1Å; D134-R208 IonicContact OD1-CZ 2.71Å; D134-R208 IonicContact OD1-NH1 2.59Å; D134-R208 PolarHBondContact OD1-NH1 2.61Å; D134-R208 IonicContact OD2-NH1 2.66Å; D134-R208 PolarHBondContact OD2-NH1 2.91Å
135D92.3Very high88.2Confident51 Ų5156 Ų5627%0.27328%0.284SS..  trans-74.460.7172.9-169.820.9000112A57 H58 F127 T133A57-D135 WeakPolarHBondContact CA-OD1 3.48Å; A57-D135 WeakPolarHBondContact CB-OD1 2.97Å; A57-D135 PolarHBondContact N-OD1 3.44Å; H58-D135 WeakPolarHBondContact CB-OD1 2.98Å; H58-D135 IonicContact CE1-OD2 3.77Å; H58-D135 IonicContact CG-OD1 3.01Å; H58-D135 IonicContact CG-OD2 2.76Å; H58-D135 PolarHBondContact N-OD1 2.99Å; H58-D135 IonicContact ND1-OD1 3.01Å; H58-D135 PolarHBondContact ND1-OD1 3.2Å; H58-D135 IonicContact ND1-OD2 2.8Å; H58-D135 PolarHBondContact ND1-OD2 3.38Å; F127-D135 HydrophobicContact CD2-CB 4.05Å; F127-D135 HydrophobicContact CE2-CB 4Å; T133-D135 VanDerWaalsContact C-N 3.31Å; T133-D135 PolarHBondContact O-N 2.96Å
136I94.6Very high88.6Confident87 Ų8760 Ų6045%0.44630%0.298SS..  trans-138.6140.2-176.2-166.2169.3000109.8L54 T55 G125 D134L54-I136 HydrophobicContact CD1-CD1 3.99Å; L54-I136 HydrophobicContact CD1-CG1 3.79Å; T55-I136 CarbonylContact O-C 3.52Å; G125-I136 PolarHBondContact N-O 3.49Å; D134-I136 PolarHBondContact O-N 3.1Å
137A96.7Very high89.1Confident3 Ų353.6 Ų53.63%0.02527%0.274CS..EExtended strand (participates in β ladder)trans-150.5155178.600000112.4T55 A57 L60 E123 A124T55-A137 HydrophobicContact CG2-CB 4.29Å; T55-A137 PolarHBondContact N-O 2.99Å; T55-A137 PolarHBondContact O-N 3.02Å; A57-A137 HydrophobicContact CB-CB 4.35Å; L60-A137 HydrophobicContact CD1-CB 3.67Å; E123-A137 CarbonylContact O-C 3.54Å; E123-A137 VanDerWaalsContact O-CA 3.28Å; E123-A137 WeakPolarHBondContact O-CA 3.44Å; E123-A137 WeakPolarHBondContact O-CB 3.13Å; A124-A137 HydrophobicContact CB-CB 3.98Å
138L97.6Very high89.7Confident76 Ų7655.6 Ų55.640%0.39829%0.285SS..EExtended strand (participates in β ladder)trans-112.9135.3174.1-72.3170.8000110I53 L54 E123I53-L138 CarbonylContact O-C 3.55Å; I53-L138 WeakPolarHBondContact O-CA 3.32Å; L54-L138 HydrophobicContact CB-CD2 4.36Å; L54-L138 HydrophobicContact CD1-CD2 3.68Å; L54-L138 HydrophobicContact CD1-CG 4.28Å; E123-L138 PolarHBondContact N-O 3.12Å; E123-L138 PolarHBondContact O-N 3.09Å
139I98.5Very high90.3Very high0 Ų060.8 Ų60.80%032%0.317CS..EExtended strand (participates in β ladder)trans-108.7127.3169.8-54.1178.1000107V26 L52 I53 T55 L60 V98 V100 V119 L122 L141V26-I139 HydrophobicContact CB-CD1 4.45Å; V26-I139 HydrophobicContact CG1-CD1 3.63Å; V26-I139 HydrophobicContact CG2-CD1 3.9Å; L52-I139 WeakPolarHBondContact CA-O 3.2Å; I53-I139 HydrophobicContact CB-CB 4.06Å; I53-I139 PolarHBondContact N-O 3.38Å; I53-I139 PolarHBondContact O-N 3.36Å; T55-I139 HydrophobicContact CG2-CD1 3.95Å; T55-I139 HydrophobicContact CG2-CG1 4.08Å; L60-I139 HydrophobicContact CD1-CD1 4.43Å; L60-I139 HydrophobicContact CD1-CG1 3.96Å; L60-I139 HydrophobicContact CD2-CD1 4.15Å; L60-I139 HydrophobicContact CD2-CG1 4.46Å; V98-I139 HydrophobicContact CG1-CD1 4.34Å; V100-I139 HydrophobicContact CG2-CD1 4.36Å; V100-I139 HydrophobicContact CG2-CG2 4.18Å; V119-I139 HydrophobicContact CB-CG2 4.06Å; V119-I139 HydrophobicContact CG1-CG2 3.46Å; V119-I139 VanDerWaalsContact CG1-CG2 3.46Å; V119-I139 HydrophobicContact CG2-CG2 3.41Å; V119-I139 VanDerWaalsContact CG2-CG2 3.41Å; L122-I139 HydrophobicContact CD2-CB 4.15Å; L122-I139 HydrophobicContact CD2-CD1 4.49Å; L122-I139 HydrophobicContact CD2-CG1 3.8Å; L122-I139 HydrophobicContact CD2-CG2 3.89Å; I139-L141 HydrophobicContact CG2-CD2 4.36Å
140K98.4Very high91.2Very high79 Ų7957.7 Ų57.734%0.34330%0.3SS..EExtended strand (participates in β ladder)trans-97.6118.9172176.864178.8-170.20109.1D51 L52 V119 A120 A121D51-K140 HydrophobicContact CB-CD 4.39Å; D51-K140 WeakPolarHBondContact O-CA 3.17Å; D51-K140 IonicContact OD1-NZ 3.29Å; D51-K140 PolarHBondContact OD1-NZ 2.85Å; D51-K140 IonicContact OD2-NZ 3.4Å; D51-K140 PolarHBondContact OD2-NZ 3.38Å; L52-K140 HydrophobicContact CD2-CD 3.81Å; V119-K140 WeakPolarHBondContact CG1-O 3.48Å; A120-K140 HydrophobicContact CB-CG 4.29Å; A120-K140 PolarHBondContact N-O 2.65Å; A121-K140 HydrophobicContact CB-CB 4.07Å; A121-K140 PolarHBondContact N-O 2.92Å; A121-K140 PolarHBondContact O-N 2.94Å
141L98.4Very high92.4Very high1 Ų154.7 Ų54.71%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-72.6154.1174.8-53.9-176.6000110.7D51 I53 V100 L102 I117 V119 I139 E143 V145D51-L141 HydrophobicContact CB-CB 4.04Å; D51-L141 PolarHBondContact O-N 3.27Å; I53-L141 HydrophobicContact CD1-CD1 4.32Å; I53-L141 HydrophobicContact CG1-CD1 4.47Å; I53-L141 HydrophobicContact CG1-CD2 4.06Å; I53-L141 HydrophobicContact CG1-CG 4.38Å; V100-L141 HydrophobicContact CB-CD2 3.84Å; V100-L141 HydrophobicContact CG1-CD2 4.23Å; V100-L141 HydrophobicContact CG2-CD2 3.78Å; L102-L141 HydrophobicContact CD1-CD1 4.37Å; I117-L141 HydrophobicContact CD1-CD1 4.22Å; I117-L141 HydrophobicContact CG2-CB 3.93Å; I117-L141 HydrophobicContact CG2-CD1 4.16Å; I117-L141 HydrophobicContact CG2-CD2 4.23Å; I117-L141 HydrophobicContact CG2-CG 4.32Å; V119-L141 HydrophobicContact CG2-CD2 4.47Å; I139-L141 HydrophobicContact CG2-CD2 4.36Å; L141-E143 WeakPolarHBondContact CB-O 3.1Å; L141-E143 PolarHBondContact O-N 2.89Å; L141-V145 HydrophobicContact CD1-CG2 3.85Å
142E97.9Very high93.6Very high94 Ų9456.3 Ų56.344%0.43928%0.283SS..EExtended strand (participates in β ladder)trans-65.7-28175.8-75.3-177-170.400113.1R118 A120R118-E142 HydrophobicContact CB-CG 3.98Å; R118-E142 VanDerWaalsContact CB-OE1 3.24Å; R118-E142 WeakPolarHBondContact CB-OE1 3.26Å; R118-E142 IonicContact CZ-OE2 2.74Å; R118-E142 VanDerWaalsContact NE-CD 3.34Å; R118-E142 IonicContact NE-OE1 3.31Å; R118-E142 PolarHBondContact NE-OE1 2.94Å; R118-E142 VanDerWaalsContact NE-OE1 3.15Å; R118-E142 IonicContact NE-OE2 3.13Å; R118-E142 PolarHBondContact NE-OE2 3.39Å; R118-E142 IonicContact NH2-OE2 2.95Å; R118-E142 PolarHBondContact NH2-OE2 3.14Å; R118-E142 PolarHBondContact O-N 2.92Å; A120-E142 HydrophobicContact CB-CG 4.03Å
143E95.7Very high94.7Very high120 Ų12054.8 Ų54.856%0.56128%0.277SS*.EExtended strand (participates in β ladder)trans-137.3157.6179.966.3-166.2158.300111.3D51 I117 L141D51-E143 WeakPolarHBondContact CB-O 3.24Å; I117-E143 HydrophobicContact CG2-CG 4.25Å; L141-E143 WeakPolarHBondContact CB-O 3.1Å; L141-E143 PolarHBondContact O-N 2.89Å
144K95.5Very high95.6Very high131 Ų13156.6 Ų56.657%0.5729%0.285SS*.EExtended strand (participates in β ladder)trans-78.4132.6172.1-72.6-178179.1-175.80110A49 D51A49-K144 HydrophobicContact CB-CB 4.19Å; D51-K144 HydrophobicContact CB-CG 3.96Å; D51-K144 WeakPolarHBondContact OD2-CE 3.35Å; D51-K144 WeakPolarHBondContact OD2-CG 3.44Å
145V95.8Very high96.1Very high2 Ų259.1 Ų59.11%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-92.7121.7176.4-174.20000108.5A49 S50 L102 E115 I117 L141 V151A49-V145 CarbonylContact C-O 3.51Å; A49-V145 WeakPolarHBondContact CA-O 3.31Å; A49-V145 WeakPolarHBondContact CB-O 3.44Å; S50-V145 PolarHBondContact N-O 2.94Å; S50-V145 PolarHBondContact O-N 2.86Å; L102-V145 HydrophobicContact CD1-CB 4.21Å; L102-V145 HydrophobicContact CD1-CG1 4.04Å; L102-V145 HydrophobicContact CD1-CG2 3.79Å; E115-V145 WeakPolarHBondContact OE2-CG1 3.43Å; I117-V145 HydrophobicContact CD1-CG2 3.29Å; I117-V145 HydrophobicContact CG1-CG2 4.36Å; L141-V145 HydrophobicContact CD1-CG2 3.85Å; V145-V151 HydrophobicContact CG1-CB 4.48Å; V145-V151 HydrophobicContact CG1-CG1 3.77Å
146L95.8Very high96.1Very high111 Ų11161 Ų6158%0.58131%0.314SS*.EExtended strand (participates in β ladder)trans-74.3139.3176.8-62.2-178.9000110A49A49-L146 HydrophobicContact CB-CD2 3.76Å
147Y95.7Very high96.1Very high54 Ų5461.3 Ų61.321%0.21232%0.322CS..PPolyproline II helixtrans-72.8143.8178-59.9-22.8000112.6L41 H43 A47 N48 S50 V151 G153L41-Y147 HydrophobicContact CD2-CD1 4.49Å; L41-Y147 HydrophobicContact CD2-CE1 3.93Å; H43-Y147 WeakPolarHBondContact CA-OH 3.35Å; H43-Y147 AromaticContact CE1-CE2 3.78Å; H43-Y147 AromaticContact ND1-CE2 3.25Å; H43-Y147 VanDerWaalsContact ND1-CE2 3.25Å; H43-Y147 WeakPolarHBondContact ND1-CE2 3.39Å; H43-Y147 AromaticContact ND1-CZ 3.51Å; H43-Y147 PolarHBondContact ND1-OH 2.86Å; A47-Y147 WeakPolarHBondContact O-CE2 3.47Å; N48-Y147 VanDerWaalsContact C-CD2 3.47Å; N48-Y147 PolarHBondContact O-N 2.8Å; S50-Y147 WeakPolarHBondContact CB-OH 3.48Å; Y147-V151 CarbonylContact C-O 3.41Å; Y147-V151 WeakPolarHBondContact CA-O 3.2Å; Y147-G153 VanDerWaalsContact CE1-N 3.28Å
148N94.5Very high95.9Very high50 Ų5064.3 Ų64.327%0.26735%0.347SS..  trans-150.7-164.7177.761.749.4000110A150 V151 Q152N148-A150 PolarHBondContact O-N 2.86Å; N148-A150 WeakPolarHBondContact OD1-CA 3.41Å; N148-A150 WeakPolarHBondContact OD1-CB 3.23Å; N148-A150 PolarHBondContact OD1-N 2.93Å; N148-V151 PolarHBondContact N-O 2.89Å; N148-V151 PolarHBondContact OD1-N 3Å; N148-Q152 WeakPolarHBondContact O-CG 3.42Å; N148-Q152 PolarHBondContact O-NE2 2.78Å
149V93.6Very high95.7Very high109 Ų10969.1 Ų69.166%0.66137%0.367SS*.SBendtrans-67.1-22.7179.8-62.70000113.7M113M113-V149 HydrophobicContact CE-CG2 3.89Å
150A95.5Very high95.3Very high0 Ų076.2 Ų76.20%041%0.405CS..SBendtrans-103.1-24.5-177.200000113.5H18 P21 G103 M113 N148H18-A150 VanDerWaalsContact CE1-CB 3.42Å; H18-A150 WeakPolarHBondContact CE1-CB 3.31Å; H18-A150 VanDerWaalsContact ND1-CB 3.29Å; H18-A150 WeakPolarHBondContact ND1-CB 3.49Å; P21-A150 WeakPolarHBondContact CA-O 3.5Å; P21-A150 WeakPolarHBondContact CB-O 3.13Å; G103-A150 WeakPolarHBondContact CA-O 3.3Å; M113-A150 HydrophobicContact CB-CB 3.75Å; M113-A150 HydrophobicContact CE-CB 4.18Å; M113-A150 HydrophobicContact CG-CB 4.46Å; N148-A150 PolarHBondContact O-N 2.86Å; N148-A150 WeakPolarHBondContact OD1-CA 3.41Å; N148-A150 WeakPolarHBondContact OD1-CB 3.23Å; N148-A150 PolarHBondContact OD1-N 2.93Å
151V96.6Very high95Very high0 Ų078.3 Ų78.30%042%0.416CS..  trans-130.8122.4-174.5-1750000111P21 L41 L102 V145 Y147 N148P21-V151 WeakPolarHBondContact O-CA 3.5Å; L41-V151 HydrophobicContact CD2-CG1 3.56Å; L102-V151 HydrophobicContact CB-CG1 4.2Å; L102-V151 HydrophobicContact CB-CG2 3.92Å; L102-V151 HydrophobicContact CD1-CG1 4.08Å; V145-V151 HydrophobicContact CG1-CB 4.48Å; V145-V151 HydrophobicContact CG1-CG1 3.77Å; Y147-V151 CarbonylContact C-O 3.41Å; Y147-V151 WeakPolarHBondContact CA-O 3.2Å; N148-V151 PolarHBondContact N-O 2.89Å; N148-V151 PolarHBondContact OD1-N 3Å
152Q96Very high94.7Very high94 Ų9481.1 Ų81.144%0.43945%0.446SS..  trans-148.4146.3176.1-61.1-174.60.300109.3P21 W22 N148P21-Q152 CarbonylContact C-O 3.43Å; P21-Q152 HydrophobicContact CB-CB 3.9Å; P21-Q152 HydrophobicContact CB-CG 4.04Å; P21-Q152 HydrophobicContact CG-CB 3.82Å; P21-Q152 HydrophobicContact CG-CG 4.1Å; P21-Q152 PolarHBondContact O-N 2.76Å; W22-Q152 WeakPolarHBondContact CA-O 3.38Å; W22-Q152 VanDerWaalsContact CB-O 3.3Å; W22-Q152 WeakPolarHBondContact CB-O 3.43Å; W22-Q152 PolarHBondContact N-O 2.96Å; N148-Q152 WeakPolarHBondContact O-CG 3.42Å; N148-Q152 PolarHBondContact O-NE2 2.78Å
153G96.8Very high94.3Very high17 Ų1781.6 Ų81.618%0.17545%0.45CS..PPolyproline II helixtrans-78.9148.517500000112.2L41 Y147L41-G153 CarbonylContact O-C 3.6Å; L41-G153 WeakPolarHBondContact O-CA 3.35Å; Y147-G153 VanDerWaalsContact CE1-N 3.28Å
154I96.6Very high94.1Very high66 Ų6679 Ų7934%0.33844%0.444SS..EExtended strand (participates in β ladder)trans-94.2143.5168.5-164.8167.5000110.7W22 A40 L41 H43W22-I154 HydrophobicContact CB-CB 3.8Å; W22-I154 HydrophobicContact CB-CG2 4.1Å; W22-I154 HydrophobicContact CD2-CB 4.06Å; W22-I154 HydrophobicContact CD2-CD1 4.03Å; W22-I154 HydrophobicContact CD2-CG1 4.38Å; W22-I154 HydrophobicContact CE3-CB 4.39Å; W22-I154 HydrophobicContact CG-CB 3.78Å; W22-I154 HydrophobicContact CG-CD1 4.22Å; W22-I154 HydrophobicContact CG-CG2 4.21Å; W22-I154 HydrophobicContact CZ2-CD1 4.43Å; A40-I154 HydrophobicContact CB-CG2 3.95Å; L41-I154 PolarHBondContact O-N 3.3Å; H43-I154 PolarHBondContact N-O 2.97Å
155C94.7Very high93.8Very high96 Ų9674.4 Ų74.465%0.64943%0.431SS*.EExtended strand (participates in β ladder)trans-67.6144.5177.8-62.60000111.8
156L94.1Very high93.2Very high90 Ų9077.6 Ų77.647%0.47145%0.451SS..PPolyproline II helixtrans-78148.8160.8-64.8178.2000109.5V42 L54V42-L156 HydrophobicContact CG1-CD1 3.84Å; V42-L156 HydrophobicContact CG1-CD2 3.85Å; V42-L156 HydrophobicContact CG1-CG 3.57Å; V42-L156 HydrophobicContact CG2-CD2 4.22Å; L54-L156 HydrophobicContact CD2-CD2 4.38Å
157P93.5Very high92.5Very high95 Ų9577.8 Ų77.862%0.61745%0.449SS*.PPolyproline II helixtrans-62.7154.8166.728.6-34.2000110.6E161P157-E161 VanDerWaalsContact CA-OE2 3.31Å; P157-E161 WeakPolarHBondContact CA-OE2 3.36Å; P157-E161 HydrophobicContact CB-CB 4.11Å
158A93.1Very high92.1Very high66 Ų6679 Ų7955%0.54546%0.46SS..PPolyproline II helixtrans-64.8161.9169.800000111.2N160 E161A158-N160 PolarHBondContact O-N 2.71Å; A158-E161 HydrophobicContact CB-CB 4.17Å; A158-E161 PolarHBondContact N-OE2 3.21Å; A158-E161 WeakPolarHBondContact O-CB 3.29Å; A158-E161 PolarHBondContact O-N 3.37Å; A158-E161 VanDerWaalsContact O-N 3.08Å
159E92.1Very high91.8Very high176 Ų17680 Ų8082%0.82247%0.468SS*.THydrogen-bonded Turntrans-60.4126177.1-166-175167.100110.2E161E159-E161 PolarHBondContact O-N 2.91Å
160N90.4Very high91.7Very high150 Ų15076.5 Ų76.580%0.80245%0.448SS*.THydrogen-bonded Turntrans57.423.8-176.7-50-53000114.2A158 G162A158-N160 PolarHBondContact O-N 2.71Å; N160-G162 PolarHBondContact O-N 2.8Å
161E93Very high91.6Very high123 Ų12381.4 Ų81.458%0.57547%0.474SS*.PPolyproline II helixtrans-59.5132.3170.7-167.7176.615900110P157 A158 E159P157-E161 VanDerWaalsContact CA-OE2 3.31Å; P157-E161 WeakPolarHBondContact CA-OE2 3.36Å; P157-E161 HydrophobicContact CB-CB 4.11Å; A158-E161 HydrophobicContact CB-CB 4.17Å; A158-E161 PolarHBondContact N-OE2 3.21Å; A158-E161 WeakPolarHBondContact O-CB 3.29Å; A158-E161 PolarHBondContact O-N 3.37Å; A158-E161 VanDerWaalsContact O-N 3.08Å; E159-E161 PolarHBondContact O-N 2.91Å
162G90.7Very high91.3Very high60 Ų6084 Ų8462%0.61949%0.49SS*.PPolyproline II helixtrans-66.4160.317700000112.1N160N160-G162 PolarHBondContact O-N 2.8Å
163L91.4Very high91.2Very high103 Ų10380.6 Ų80.654%0.53948%0.478SS..PPolyproline II helixtrans-67.3151173.6-60.9-179.6000110.8I194 I210L163-I194 HydrophobicContact CB-CD1 4.23Å; L163-I194 HydrophobicContact CD1-CG2 4.01Å; L163-I194 HydrophobicContact CD2-CD1 4.49Å; L163-I210 HydrophobicContact CD1-CG1 4.13Å; L163-I210 HydrophobicContact CD1-CG2 4.26Å; L163-I210 HydrophobicContact CD2-CD1 3.4Å; L163-I210 HydrophobicContact CD2-CG1 3.85Å
164P90.4Very high91Very high67 Ų6780.2 Ų80.244%0.43547%0.473SS..PPolyproline II helixtrans-52.2151167.7-24.532.6000111.5N168 I194P164-N168 HydrophobicContact CB-CB 4.23Å; P164-I194 HydrophobicContact CG-CD1 4.29Å
165A88.6Confident90.8Very high34 Ų3477.7 Ų77.728%0.28146%0.46SS..PPolyproline II helixtrans-56.8141.817600000110.9E167 N168A165-E167 HydrophobicContact CB-CG 4.35Å; A165-E167 WeakPolarHBondContact CB-OE1 3.42Å; A165-E167 WeakPolarHBondContact CB-OE2 3.22Å; A165-E167 PolarHBondContact O-N 3.33Å; A165-N168 VanDerWaalsContact O-CB 3.29Å; A165-N168 WeakPolarHBondContact O-CB 3.26Å; A165-N168 PolarHBondContact O-N 2.62Å
166P83.9Confident90.3Very high69 Ų6974.5 Ų74.545%0.44844%0.443SS..THydrogen-bonded Turntrans-58.2-22.9-173.9-25.934.8000114.9N168 A196P166-N168 VanDerWaalsContact C-N 3.33Å; P166-A196 HydrophobicContact CG-CB 4.31Å
167E81.4Confident89.5Confident115 Ų11572.3 Ų72.354%0.53743%0.432SS..THydrogen-bonded Turntrans-75.2-20.3174.367-84.9-162.100114.1A165 Y193A165-E167 HydrophobicContact CB-CG 4.35Å; A165-E167 WeakPolarHBondContact CB-OE1 3.42Å; A165-E167 WeakPolarHBondContact CB-OE2 3.22Å; A165-E167 PolarHBondContact O-N 3.33Å; E167-Y193 WeakPolarHBondContact O-CE1 3.27Å
168N87.9Confident88.5Confident80 Ų8069.9 Ų69.943%0.42841%0.413SS..SBendtrans-77.1129.6-179.5-69.8-14.3000110.1P164 A165 P166P164-N168 HydrophobicContact CB-CB 4.23Å; A165-N168 VanDerWaalsContact O-CB 3.29Å; A165-N168 WeakPolarHBondContact O-CB 3.26Å; A165-N168 PolarHBondContact O-N 2.62Å; P166-N168 VanDerWaalsContact C-N 3.33Å
169P88.2Confident87Confident69 Ų6973.5 Ų73.545%0.44841%0.413SS..EExtended strand (participates in β ladder)trans-73.7143.3178.229.8-33.9000112Q191 Y193P169-Q191 HydrophobicContact CB-CG 3.45Å; P169-Q191 VanDerWaalsContact CB-CG 3.45Å; P169-Y193 HydrophobicContact CB-CE1 4.11Å
170C91.7Very high85.8Confident36 Ų3670 Ų7024%0.24340%0.399CS..EExtended strand (participates in β ladder)trans-105.8154.5164.3-59.70000109.8Q191 T192C170-Q191 WeakPolarHBondContact O-CA 3.45Å; C170-T192 HydrophobicContact CB-CG2 3.89Å; C170-T192 PolarHBondContact N-O 3.29Å; C170-T192 PolarHBondContact O-N 3.05Å
171L91.5Very high84.7Confident103 Ų10365.4 Ų65.454%0.53939%0.388SS..EExtended strand (participates in β ladder)trans-112.9135.1175.7-68.9169.1000109.9Q191L171-Q191 HydrophobicContact CD2-CB 4.32Å
172V92.4Very high83.7Confident56 Ų5668.4 Ų68.434%0.33939%0.394SS..EExtended strand (participates in β ladder)trans-117.6131171.61760000107.7Q189 F190 T192V172-Q189 CarbonylContact O-C 3.58Å; V172-Q189 WeakPolarHBondContact O-CA 3.32Å; V172-F190 HydrophobicContact CB-CD1 3.93Å; V172-F190 HydrophobicContact CB-CE1 3.47Å; V172-F190 VanDerWaalsContact CB-CE1 3.47Å; V172-F190 HydrophobicContact CB-CZ 3.81Å; V172-F190 HydrophobicContact CG1-CD1 4.24Å; V172-F190 HydrophobicContact CG1-CE1 3.51Å; V172-F190 HydrophobicContact CG1-CZ 4.08Å; V172-F190 HydrophobicContact CG2-CE1 4.19Å; V172-F190 HydrophobicContact CG2-CZ 4.01Å; V172-F190 PolarHBondContact N-O 3.23Å; V172-F190 PolarHBondContact O-N 2.98Å; V172-T192 HydrophobicContact CG2-CG2 3.82Å
173A92.8Very high82.8Confident22 Ų2269 Ų6918%0.18239%0.386CS..EExtended strand (participates in β ladder)trans-131152.6178.500000111.8Q23 L187 Q188 Q189Q23-A173 PolarHBondContact OE1-O 3.06Å; A173-L187 HydrophobicContact CB-CD1 4.16Å; A173-Q188 CarbonylContact C-O 3.48Å; A173-Q188 WeakPolarHBondContact CA-O 3.28Å; A173-Q188 WeakPolarHBondContact CB-O 3.29Å; A173-Q189 HydrophobicContact CB-CB 4.34Å
174G93.1Very high82Confident8 Ų864.1 Ų64.18%0.08236%0.36CS..EExtended strand (participates in β ladder)trans167.4179.6174.300000115I9 Q188I9-G174 VanDerWaalsContact CD1-O 3.29Å; I9-G174 WeakPolarHBondContact CD1-O 3.32Å; G174-Q188 PolarHBondContact N-O 2.95Å; G174-Q188 PolarHBondContact O-N 3.48Å
175W91.2Very high81.8Confident13 Ų1363.7 Ų63.75%0.04936%0.357CS..SBendtrans-107.632177.3-61.6-91.8000111.9Q23 L25 L104 H105 F107 T183 K186 L187Q23-W175 HydrophobicContact CG-CH2 3.51Å; Q23-W175 HydrophobicContact CG-CZ3 3.48Å; Q23-W175 VanDerWaalsContact CG-CZ3 3.48Å; L25-W175 HydrophobicContact CB-CE3 4.17Å; L25-W175 HydrophobicContact CB-CH2 4.18Å; L25-W175 HydrophobicContact CB-CZ3 3.8Å; L25-W175 HydrophobicContact CD1-CD2 4.25Å; L25-W175 HydrophobicContact CD1-CE3 3.77Å; L25-W175 HydrophobicContact CD1-CZ3 4.27Å; L104-W175 HydrophobicContact CB-CZ2 4.38Å; L104-W175 WeakPolarHBondContact O-CZ2 3.2Å; H105-W175 PolarHBondContact O-NE1 2.95Å; F107-W175 HydrophobicContact CD1-CB 4.19Å; F107-W175 AromaticContact CD1-CD1 3.52Å; F107-W175 AromaticContact CD1-CG 3.89Å; F107-W175 HydrophobicContact CD1-CG 3.89Å; F107-W175 HydrophobicContact CE1-CB 3.98Å; F107-W175 AromaticContact CE1-CD1 3.89Å; F107-W175 HydrophobicContact CE1-CG 4.14Å; W175-T183 WeakPolarHBondContact O-CG2 3.49Å; W175-K186 VanDerWaalsContact CD1-C 3.49Å; W175-L187 HydrophobicContact CD2-CD1 3.99Å; W175-L187 HydrophobicContact CE3-CD1 4.06Å; W175-L187 HydrophobicContact CH2-CD1 3.88Å; W175-L187 HydrophobicContact CZ2-CB 3.89Å; W175-L187 HydrophobicContact CZ2-CD1 3.78Å; W175-L187 HydrophobicContact CZ2-CD2 4.42Å; W175-L187 HydrophobicContact CZ2-CG 4.24Å; W175-L187 HydrophobicContact CZ3-CD1 4.01Å; W175-L187 VanDerWaalsContact NE1-N 3.19Å
176G84.5Confident81.9Confident29 Ų2965.6 Ų65.630%0.29936%0.359SS..  trans-64.7-170.6-178.700000113.3L178 G184G176-L178 PolarHBondContact O-N 3.41Å; G176-G184 PolarHBondContact O-N 3.29Å; G176-G184 VanDerWaalsContact O-N 3.12Å
177L78.5Confident82.3Confident45 Ų4562.6 Ų62.624%0.23634%0.339CS..BIsolated β-bridgetrans-66.5129.3174.4-65170.3000110.2Q6 R8 I9 G181Q6-L177 HydrophobicContact CB-CD1 4.07Å; R8-L177 WeakPolarHBondContact CG-O 3.49Å; I9-L177 PolarHBondContact N-O 3.36Å; L177-G181 WeakPolarHBondContact CD2-O 3.17Å
178L70.9Confident82.7Confident43 Ų4358.2 Ų58.223%0.22532%0.318CS..  trans-79.5172.2171.6-59.8-180000111G176 N180 G181 R182 G184 Q188G176-L178 PolarHBondContact O-N 3.41Å; L178-N180 PolarHBondContact O-N 3.38Å; L178-N180 VanDerWaalsContact O-N 3.12Å; L178-G181 PolarHBondContact O-N 3.03Å; L178-R182 WeakPolarHBondContact CB-O 3.47Å; L178-R182 PolarHBondContact N-O 3.41Å; L178-G184 VanDerWaalsContact CD1-CA 3.46Å; L178-Q188 HydrophobicContact CD2-CG 3.58Å
179R63.1Low82.8Confident142 Ų14256 Ų5654%0.53631%0.305SS..THydrogen-bonded Turntrans-50.3-36.6177.3-176.3176172.3169.6-4113.6G181R179-G181 PolarHBondContact O-N 3.49Å
180N65.6Low82.7Confident102 Ų10254.9 Ų54.955%0.54529%0.294SS..THydrogen-bonded Turntrans-79.55.9179.665.75000114.1L178 R182L178-N180 PolarHBondContact O-N 3.38Å; L178-N180 VanDerWaalsContact O-N 3.12Å; N180-R182 PolarHBondContact O-N 3.31Å; N180-R182 VanDerWaalsContact OD1-CB 3.25Å; N180-R182 WeakPolarHBondContact OD1-CB 3.34Å; N180-R182 PolarHBondContact OD1-N 2.6Å
181G67.6Low82.5Confident55 Ų5557.8 Ų57.857%0.56730%0.304SS*.SBendtrans73.23-177.300000114.4L177 L178 R179L177-G181 WeakPolarHBondContact CD2-O 3.17Å; L178-G181 PolarHBondContact O-N 3.03Å; R179-G181 PolarHBondContact O-N 3.49Å
182R72.1Confident82.4Confident186 Ų18653 Ų5370%0.70228%0.279SS*.SBendtrans-90.9148.2172.4-57.1-177.4175178.3-1.5109.5L178 N180 G184L178-R182 WeakPolarHBondContact CB-O 3.47Å; L178-R182 PolarHBondContact N-O 3.41Å; N180-R182 PolarHBondContact O-N 3.31Å; N180-R182 VanDerWaalsContact OD1-CB 3.25Å; N180-R182 WeakPolarHBondContact OD1-CB 3.34Å; N180-R182 PolarHBondContact OD1-N 2.6Å; R182-G184 PolarHBondContact O-N 3.37Å
183T71.2Confident82.2Confident71 Ų7152 Ų5244%0.43627%0.269SS..BIsolated β-bridgetrans-65.5131.2170.4-48.50000109.6F107 W175 T185F107-T183 HydrophobicContact CE1-CG2 4.35Å; F107-T183 HydrophobicContact CZ-CG2 4.22Å; W175-T183 WeakPolarHBondContact O-CG2 3.49Å; T183-T185 PolarHBondContact O-N 2.94Å
184G74.5Confident82.1Confident1 Ų152.1 Ų52.11%0.0127%0.266CS..PPolyproline II helixtrans-72125.5174.900000110.3F107 G176 L178 R182 K186F107-G184 WeakPolarHBondContact CE1-O 3.47Å; G176-G184 PolarHBondContact O-N 3.29Å; G176-G184 VanDerWaalsContact O-N 3.12Å; L178-G184 VanDerWaalsContact CD1-CA 3.46Å; R182-G184 PolarHBondContact O-N 3.37Å; G184-K186 VanDerWaalsContact C-N 3.32Å
185T86.7Confident81.8Confident58 Ų5854.6 Ų54.636%0.35628%0.277SS..SBendtrans-72.9-31177.856.50000112.1D106 F107 T108 T183D106-T185 WeakPolarHBondContact CA-O 3.29Å; F107-T185 VanDerWaalsContact CD1-O 3.27Å; F107-T185 WeakPolarHBondContact CD1-O 3.49Å; F107-T185 HydrophobicContact CE2-CG2 4.47Å; F107-T185 HydrophobicContact CZ-CG2 4.27Å; F107-T185 PolarHBondContact N-O 2.7Å; T108-T185 HydrophobicContact CG2-CG2 3.49Å; T108-T185 VanDerWaalsContact CG2-CG2 3.49Å; T183-T185 PolarHBondContact O-N 2.94Å
186K90.7Very high81.2Confident74 Ų7458 Ų5832%0.32231%0.308SS..BIsolated β-bridgetrans-100.7146.8179-55.8-171.9-178.1-176.80111.8E14 H105 D106 W175 G184 Q188E14-K186 VanDerWaalsContact CD-NZ 3.25Å; E14-K186 HydrophobicContact CG-CB 4.33Å; E14-K186 HydrophobicContact CG-CD 4.18Å; E14-K186 WeakPolarHBondContact OE1-CD 3.4Å; E14-K186 IonicContact OE1-NZ 3.53Å; E14-K186 PolarHBondContact OE1-NZ 3.06Å; E14-K186 WeakPolarHBondContact OE2-CD 3.49Å; E14-K186 IonicContact OE2-NZ 3.37Å; E14-K186 PolarHBondContact OE2-NZ 3.02Å; H105-K186 CarbonylContact O-C 3.56Å; H105-K186 WeakPolarHBondContact O-CA 3.3Å; D106-K186 HydrophobicContact CB-CG 4.12Å; W175-K186 VanDerWaalsContact CD1-C 3.49Å; G184-K186 VanDerWaalsContact C-N 3.32Å; K186-Q188 PolarHBondContact O-N 3.12Å; K186-Q188 PolarHBondContact O-NE2 3.4Å
187L92.2Very high80.9Confident6 Ų662.8 Ų62.83%0.03133%0.327CS..  trans-59.7125.3179.6-177.361000109.9A15 H20 Q23 H105 A173 W175A15-L187 HydrophobicContact CB-CB 4.28Å; A15-L187 HydrophobicContact CB-CD2 4.04Å; A15-L187 HydrophobicContact CB-CG 3.92Å; A15-L187 PolarHBondContact N-O 2.85Å; H20-L187 HydrophobicContact CB-CD2 4.23Å; Q23-L187 HydrophobicContact CB-CD2 4.41Å; Q23-L187 HydrophobicContact CG-CD1 3.86Å; Q23-L187 HydrophobicContact CG-CD2 4.21Å; H105-L187 PolarHBondContact O-N 3.02Å; A173-L187 HydrophobicContact CB-CD1 4.16Å; W175-L187 HydrophobicContact CD2-CD1 3.99Å; W175-L187 HydrophobicContact CE3-CD1 4.06Å; W175-L187 HydrophobicContact CH2-CD1 3.88Å; W175-L187 HydrophobicContact CZ2-CB 3.89Å; W175-L187 HydrophobicContact CZ2-CD1 3.78Å; W175-L187 HydrophobicContact CZ2-CD2 4.42Å; W175-L187 HydrophobicContact CZ2-CG 4.24Å; W175-L187 HydrophobicContact CZ3-CD1 4.01Å; W175-L187 VanDerWaalsContact NE1-N 3.19Å
188Q90.7Very high81Confident24 Ų2469.9 Ų69.911%0.11236%0.356CS..EExtended strand (participates in β ladder)trans-104.2156.6173.4-55.1-58.2-63.400110.2I9 I13 E14 A173 G174 L178 K186I9-Q188 HydrophobicContact CD1-CB 3.91Å; I9-Q188 HydrophobicContact CG2-CB 4.06Å; I13-Q188 CarbonylContact O-C 3.57Å; I13-Q188 VanDerWaalsContact O-CA 3.23Å; I13-Q188 WeakPolarHBondContact O-CA 3.1Å; I13-Q188 PolarHBondContact O-OE1 3.37Å; E14-Q188 VanDerWaalsContact N-OE1 3.14Å; A173-Q188 CarbonylContact C-O 3.48Å; A173-Q188 WeakPolarHBondContact CA-O 3.28Å; A173-Q188 WeakPolarHBondContact CB-O 3.29Å; G174-Q188 PolarHBondContact N-O 2.95Å; G174-Q188 PolarHBondContact O-N 3.48Å; L178-Q188 HydrophobicContact CD2-CG 3.58Å; K186-Q188 PolarHBondContact O-N 3.12Å; K186-Q188 PolarHBondContact O-NE2 3.4Å
189Q90.5Very high81.7Confident32 Ų3269.6 Ų69.615%0.1536%0.355CS..EExtended strand (participates in β ladder)trans-140.4152.7172.263171.5-1500111.5G12 I13 A15 H20 V172 A173G12-Q189 CarbonylContact C-O 3.58Å; G12-Q189 WeakPolarHBondContact CA-O 3.15Å; I13-Q189 HydrophobicContact CD1-CG 4.4Å; I13-Q189 HydrophobicContact CG1-CG 3.85Å; I13-Q189 PolarHBondContact N-O 2.99Å; I13-Q189 PolarHBondContact O-N 3.42Å; A15-Q189 HydrophobicContact CB-CB 4.3Å; A15-Q189 HydrophobicContact CB-CG 4.03Å; H20-Q189 PolarHBondContact CE1-OE1 2.59Å; H20-Q189 PolarHBondContact NE2-OE1 2.73Å; V172-Q189 CarbonylContact O-C 3.58Å; V172-Q189 WeakPolarHBondContact O-CA 3.32Å; A173-Q189 HydrophobicContact CB-CB 4.34Å
190F85.9Confident82.8Confident46 Ų4670.7 Ų70.720%0.20237%0.372CS..EExtended strand (participates in β ladder)trans-146.7158.2165.474.6-81.8000111.4I9 V172 T192I9-F190 HydrophobicContact CG2-CD1 3.98Å; I9-F190 HydrophobicContact CG2-CE1 4.5Å; V172-F190 HydrophobicContact CB-CD1 3.93Å; V172-F190 HydrophobicContact CB-CE1 3.47Å; V172-F190 VanDerWaalsContact CB-CE1 3.47Å; V172-F190 HydrophobicContact CB-CZ 3.81Å; V172-F190 HydrophobicContact CG1-CD1 4.24Å; V172-F190 HydrophobicContact CG1-CE1 3.51Å; V172-F190 HydrophobicContact CG1-CZ 4.08Å; V172-F190 HydrophobicContact CG2-CE1 4.19Å; V172-F190 HydrophobicContact CG2-CZ 4.01Å; V172-F190 PolarHBondContact N-O 3.23Å; V172-F190 PolarHBondContact O-N 2.98Å; F190-T192 HydrophobicContact CE2-CG2 4.45Å
191Q86Confident83.8Confident97 Ų9769.5 Ų69.545%0.45337%0.366SS..EExtended strand (participates in β ladder)trans-93134.7177-166.9175.2-69.400110.9P169 C170 L171 Y193P169-Q191 HydrophobicContact CB-CG 3.45Å; P169-Q191 VanDerWaalsContact CB-CG 3.45Å; C170-Q191 WeakPolarHBondContact O-CA 3.45Å; L171-Q191 HydrophobicContact CD2-CB 4.32Å; Q191-Y193 HydrophobicContact CG-CE2 4.47Å; Q191-Y193 PolarHBondContact NE2-OH 2.84Å
192T89.4Confident84.7Confident3 Ų372.7 Ų72.72%0.01838%0.376CS..EExtended strand (participates in β ladder)trans-137171.8179.5-166.80000110.3C170 V172 F190 S212 A213C170-T192 HydrophobicContact CB-CG2 3.89Å; C170-T192 PolarHBondContact N-O 3.29Å; C170-T192 PolarHBondContact O-N 3.05Å; V172-T192 HydrophobicContact CG2-CG2 3.82Å; F190-T192 HydrophobicContact CE2-CG2 4.45Å; T192-S212 VanDerWaalsContact CG2-OG 3.32Å; T192-S212 WeakPolarHBondContact CG2-OG 3.4Å; T192-S212 WeakPolarHBondContact OG1-CB 3.33Å; T192-S212 PolarHBondContact OG1-OG 3.3Å; T192-A213 VanDerWaalsContact OG1-C 3.3Å; T192-A213 PolarHBondContact OG1-N 3.14Å; T192-A213 PolarHBondContact OG1-O 2.85Å
193Y88.9Confident85.3Confident35 Ų3570.5 Ų70.514%0.13737%0.369CS..EExtended strand (participates in β ladder)trans-136.5139.8-177-61-100.5000108.9E167 P169 Q191 I195 S212 A213 K215E167-Y193 WeakPolarHBondContact O-CE1 3.27Å; P169-Y193 HydrophobicContact CB-CE1 4.11Å; Q191-Y193 HydrophobicContact CG-CE2 4.47Å; Q191-Y193 PolarHBondContact NE2-OH 2.84Å; Y193-I195 PolarHBondContact O-N 3.48Å; Y193-S212 CarbonylContact O-C 3.55Å; Y193-S212 WeakPolarHBondContact O-CA 3.23Å; Y193-S212 VanDerWaalsContact O-CB 3.26Å; Y193-S212 WeakPolarHBondContact O-CB 3.42Å; Y193-A213 PolarHBondContact N-O 2.95Å; Y193-A213 PolarHBondContact O-N 3.13Å; Y193-K215 HydrophobicContact CD1-CD 3.98Å; Y193-K215 HydrophobicContact CD2-CB 3.47Å; Y193-K215 VanDerWaalsContact CD2-CB 3.47Å; Y193-K215 HydrophobicContact CD2-CD 4.4Å; Y193-K215 HydrophobicContact CE1-CB 4.42Å; Y193-K215 HydrophobicContact CE1-CD 3.7Å; Y193-K215 HydrophobicContact CE2-CB 3.4Å; Y193-K215 HydrophobicContact CE2-CD 4.19Å; Y193-K215 HydrophobicContact CE2-CG 4.45Å; Y193-K215 HydrophobicContact CG-CB 4.04Å; Y193-K215 HydrophobicContact CG-CD 4.29Å
194I91.3Very high86.1Confident24 Ų2469.8 Ų69.812%0.12336%0.36CS..EExtended strand (participates in β ladder)trans-68.6130178.2-65.1174.5000109L163 P164 I210L163-I194 HydrophobicContact CB-CD1 4.23Å; L163-I194 HydrophobicContact CD1-CG2 4.01Å; L163-I194 HydrophobicContact CD2-CD1 4.49Å; P164-I194 HydrophobicContact CG-CD1 4.29Å; I194-I210 HydrophobicContact CB-CG2 4.44Å; I194-I210 HydrophobicContact CD1-CG2 4.11Å; I194-I210 HydrophobicContact CG1-CG2 3.94Å; I194-I210 HydrophobicContact CG2-CG2 3.8Å
195I86Confident86.7Confident61 Ų6172.5 Ų72.531%0.31337%0.374SS..  trans-88.2120.6175.6-52.6171.2000107.7Y193 D197 C211 A213Y193-I195 PolarHBondContact O-N 3.48Å; I195-D197 HydrophobicContact CG2-CB 3.89Å; I195-C211 PolarHBondContact N-O 3.46Å; I195-A213 HydrophobicContact CD1-CB 3.4Å; I195-A213 VanDerWaalsContact CD1-CB 3.4Å; I195-A213 HydrophobicContact CG1-CB 3.8Å
196A79.1Confident86.7Confident84 Ų8476.8 Ų76.869%0.69439%0.39SS*.  trans-83.4-17.5173.700000112.7P166P166-A196 HydrophobicContact CG-CB 4.31Å
197D77.7Confident86.5Confident129 Ų12979.8 Ų79.869%0.6941%0.41SS*.SBendtrans-74.2160.6-178.1-62.6-46.3000113.4I195 V199I195-D197 HydrophobicContact CG2-CB 3.89Å; D197-V199 PolarHBondContact O-N 2.81Å; D197-V199 VanDerWaalsContact O-N 3.13Å
198K80.4Confident86.2Confident195 Ų19586.9 Ų86.985%0.84844%0.436SS*.  trans-61.9115.1178.3-173.6176.2-177.41760111.2N200K198-N200 PolarHBondContact O-N 2.93Å
199V86.4Confident86.1Confident36 Ų3688.2 Ų88.222%0.21844%0.443CS..  trans-76.4117.7174.2-177.90000109.8D197 N201 F204 C211D197-V199 PolarHBondContact O-N 2.81Å; D197-V199 VanDerWaalsContact O-N 3.13Å; V199-N201 VanDerWaalsContact C-N 3.25Å; V199-N201 HydrophobicContact CG1-CB 4.08Å; V199-N201 PolarHBondContact O-N 2.83Å; V199-F204 HydrophobicContact CB-CB 4.33Å; V199-F204 HydrophobicContact CB-CD1 3.57Å; V199-F204 HydrophobicContact CB-CD2 4.33Å; V199-F204 HydrophobicContact CB-CE1 3.87Å; V199-F204 HydrophobicContact CB-CG 3.81Å; V199-F204 HydrophobicContact CB-CZ 4.37Å; V199-F204 HydrophobicContact CG1-CB 4.1Å; V199-F204 HydrophobicContact CG1-CD1 4.21Å; V199-F204 HydrophobicContact CG1-CD2 4.23Å; V199-F204 HydrophobicContact CG1-CG 3.92Å; V199-F204 HydrophobicContact CG2-CD1 3.95Å; V199-F204 HydrophobicContact CG2-CD2 4.4Å; V199-F204 HydrophobicContact CG2-CE1 3.71Å; V199-F204 HydrophobicContact CG2-CE2 4.19Å; V199-F204 HydrophobicContact CG2-CG 4.28Å; V199-F204 HydrophobicContact CG2-CZ 3.84Å; V199-C211 HydrophobicContact CG2-CB 3.57Å
200N86.7Confident86.2Confident165 Ų16591.7 Ų91.788%0.88246%0.462SS*.  trans-81.167.8178.5-169.921.9000111.8K198K198-N200 PolarHBondContact O-N 2.93Å
201N86.2Confident86.4Confident78 Ų7891.3 Ų91.342%0.41746%0.464SS..  trans-139.8123.3175.3-176-34.5000109.7V199 Y203 F204V199-N201 VanDerWaalsContact C-N 3.25Å; V199-N201 HydrophobicContact CG1-CB 4.08Å; V199-N201 PolarHBondContact O-N 2.83Å; N201-Y203 PolarHBondContact O-N 2.84Å; N201-Y203 VanDerWaalsContact O-N 3.1Å; N201-Y203 WeakPolarHBondContact OD1-CB 3.47Å; N201-Y203 WeakPolarHBondContact OD1-CD2 3.31Å; N201-Y203 PolarHBondContact OD1-N 2.85Å; N201-F204 HydrophobicContact CB-CB 4.07Å; N201-F204 WeakPolarHBondContact O-CB 3.36Å; N201-F204 PolarHBondContact O-N 3.26Å
202P86.2Confident86.6Confident121 Ų12189.1 Ų89.179%0.78646%0.46SS*.THydrogen-bonded Turntrans-64.8-15-176.727.1-35.8000114.6
203Y85Confident86.5Confident141 Ų14190.7 Ų90.755%0.55347%0.473SS*.THydrogen-bonded Turntrans-94.7-6.8175.8-55.8-75.2000113.1V132 N201V132-Y203 HydrophobicContact CG2-CD1 4.26Å; N201-Y203 PolarHBondContact O-N 2.84Å; N201-Y203 VanDerWaalsContact O-N 3.1Å; N201-Y203 WeakPolarHBondContact OD1-CB 3.47Å; N201-Y203 WeakPolarHBondContact OD1-CD2 3.31Å; N201-Y203 PolarHBondContact OD1-N 2.85Å
204F88Confident86.1Confident55 Ų5594.7 Ų94.724%0.24149%0.494CS..  trans-81.9131178.3-175.6-97.8000110.8V199 N201 E206 M209 C211V199-F204 HydrophobicContact CB-CB 4.33Å; V199-F204 HydrophobicContact CB-CD1 3.57Å; V199-F204 HydrophobicContact CB-CD2 4.33Å; V199-F204 HydrophobicContact CB-CE1 3.87Å; V199-F204 HydrophobicContact CB-CG 3.81Å; V199-F204 HydrophobicContact CB-CZ 4.37Å; V199-F204 HydrophobicContact CG1-CB 4.1Å; V199-F204 HydrophobicContact CG1-CD1 4.21Å; V199-F204 HydrophobicContact CG1-CD2 4.23Å; V199-F204 HydrophobicContact CG1-CG 3.92Å; V199-F204 HydrophobicContact CG2-CD1 3.95Å; V199-F204 HydrophobicContact CG2-CD2 4.4Å; V199-F204 HydrophobicContact CG2-CE1 3.71Å; V199-F204 HydrophobicContact CG2-CE2 4.19Å; V199-F204 HydrophobicContact CG2-CG 4.28Å; V199-F204 HydrophobicContact CG2-CZ 3.84Å; N201-F204 HydrophobicContact CB-CB 4.07Å; N201-F204 WeakPolarHBondContact O-CB 3.36Å; N201-F204 PolarHBondContact O-N 3.26Å; F204-E206 HydrophobicContact CE1-CB 4.12Å; F204-M209 HydrophobicContact CD2-CB 3.88Å; F204-M209 HydrophobicContact CD2-SD 4.15Å; F204-M209 HydrophobicContact CE2-CB 3.57Å; F204-M209 HydrophobicContact CZ-CB 4.25Å; F204-M209 WeakPolarHBondContact CZ-O 3.44Å; F204-C211 HydrophobicContact CD2-CB 4.49Å; F204-C211 HydrophobicContact CE2-CB 3.72Å; F204-C211 HydrophobicContact CZ-CB 4.04Å
205N87.1Confident85.3Confident58 Ų5896.9 Ų96.931%0.3150%0.503SS..  trans-124.7108.1176.4-174.7-30.6000109.8N207 R208 M209N205-N207 PolarHBondContact O-N 2.98Å; N205-N207 VanDerWaalsContact O-N 3.11Å; N205-N207 WeakPolarHBondContact OD1-CB 3.01Å; N205-N207 PolarHBondContact OD1-N 3.28Å; N205-R208 HydrophobicContact CB-CB 4.48Å; N205-R208 PolarHBondContact O-N 2.83Å; N205-M209 WeakPolarHBondContact O-CB 3.45Å; N205-M209 PolarHBondContact O-N 3.28Å
206E85.7Confident84.8Confident149 Ų149102 Ų10270%0.69653%0.525SS*.THydrogen-bonded Turntrans-58.5-23-177.366-167.9-171.300114.5F204 R208F204-E206 HydrophobicContact CE1-CB 4.12Å; E206-R208 VanDerWaalsContact C-N 3.32Å
207N86.4Confident84.9Confident137 Ų137101 Ų10173%0.73351%0.508SS*.THydrogen-bonded Turntrans-83.9-5.8177.4-64.3-59.1000113.5N205N205-N207 PolarHBondContact O-N 2.98Å; N205-N207 VanDerWaalsContact O-N 3.11Å; N205-N207 WeakPolarHBondContact OD1-CB 3.01Å; N205-N207 PolarHBondContact OD1-N 3.28Å
208R86.3Confident85.3Confident155 Ų15598.2 Ų98.259%0.58550%0.499SS*.THydrogen-bonded Turntrans-137.6-15.1-173.1-63-173.2-179.3-101.7-10.2114.2D134 N205 E206D134-R208 IonicContact OD1-CZ 2.71Å; D134-R208 IonicContact OD1-NH1 2.59Å; D134-R208 PolarHBondContact OD1-NH1 2.61Å; D134-R208 IonicContact OD2-NH1 2.66Å; D134-R208 PolarHBondContact OD2-NH1 2.91Å; N205-R208 HydrophobicContact CB-CB 4.48Å; N205-R208 PolarHBondContact O-N 2.83Å; E206-R208 VanDerWaalsContact C-N 3.32Å
209M89.8Confident85.9Confident51 Ų5191.8 Ų91.825%0.25148%0.475SS..  trans-131.2146.2-173-61.8179.4177.400110.2V132 F204 N205V132-M209 HydrophobicContact CB-CE 4.1Å; V132-M209 HydrophobicContact CG1-CE 4.1Å; V132-M209 WeakPolarHBondContact O-CE 3.27Å; F204-M209 HydrophobicContact CD2-CB 3.88Å; F204-M209 HydrophobicContact CD2-SD 4.15Å; F204-M209 HydrophobicContact CE2-CB 3.57Å; F204-M209 HydrophobicContact CZ-CB 4.25Å; F204-M209 WeakPolarHBondContact CZ-O 3.44Å; N205-M209 WeakPolarHBondContact O-CB 3.45Å; N205-M209 PolarHBondContact O-N 3.28Å
210I90.9Very high86.2Confident106 Ų10694.5 Ų94.554%0.54449%0.492SS..  trans-113.1139.4171.9-56160.9000106.6L163 I194L163-I210 HydrophobicContact CD1-CG1 4.13Å; L163-I210 HydrophobicContact CD1-CG2 4.26Å; L163-I210 HydrophobicContact CD2-CD1 3.4Å; L163-I210 HydrophobicContact CD2-CG1 3.85Å; I194-I210 HydrophobicContact CB-CG2 4.44Å; I194-I210 HydrophobicContact CD1-CG2 4.11Å; I194-I210 HydrophobicContact CG1-CG2 3.94Å; I194-I210 HydrophobicContact CG2-CG2 3.8Å
211C91.1Very high86.6Confident37 Ų3791 Ų9125%0.2547%0.469CS..  trans-113.2142.6173.2-1670000109.3I195 V199 F204I195-C211 PolarHBondContact N-O 3.46Å; V199-C211 HydrophobicContact CG2-CB 3.57Å; F204-C211 HydrophobicContact CD2-CB 4.49Å; F204-C211 HydrophobicContact CE2-CB 3.72Å; F204-C211 HydrophobicContact CZ-CB 4.04Å
212S90.6Very high87Confident52 Ų5292.3 Ų92.336%0.36448%0.475SS..EExtended strand (participates in β ladder)trans-129.9149.6175.577.10000110.7T192 Y193T192-S212 VanDerWaalsContact CG2-OG 3.32Å; T192-S212 WeakPolarHBondContact CG2-OG 3.4Å; T192-S212 WeakPolarHBondContact OG1-CB 3.33Å; T192-S212 PolarHBondContact OG1-OG 3.3Å; Y193-S212 CarbonylContact O-C 3.55Å; Y193-S212 WeakPolarHBondContact O-CA 3.23Å; Y193-S212 VanDerWaalsContact O-CB 3.26Å; Y193-S212 WeakPolarHBondContact O-CB 3.42Å
213A86Confident87.5Confident36 Ų3689 Ų8930%0.29845%0.449SS..EExtended strand (participates in β ladder)trans-133171.3173.200000110.3T192 Y193 I195T192-A213 VanDerWaalsContact OG1-C 3.3Å; T192-A213 PolarHBondContact OG1-N 3.14Å; T192-A213 PolarHBondContact OG1-O 2.85Å; Y193-A213 PolarHBondContact N-O 2.95Å; Y193-A213 PolarHBondContact O-N 3.13Å; I195-A213 HydrophobicContact CD1-CB 3.4Å; I195-A213 VanDerWaalsContact CD1-CB 3.4Å; I195-A213 HydrophobicContact CG1-CB 3.8Å
214M80.6Confident88Confident119 Ų11986.2 Ų86.259%0.58645%0.447SS*.PPolyproline II helixtrans-64.2148.6160.5-60.4-169.4-46.300108.5E216M214-E216 PolarHBondContact O-N 2.96Å; M214-E216 VanDerWaalsContact O-N 3.14Å
215K75.3Confident88.2Confident69 Ų6984 Ų8430%0.344%0.438SS..PPolyproline II helixtrans-67.4117.3176.8-176.5145.4175.1179.90109.8Y193 R243Y193-K215 HydrophobicContact CD1-CD 3.98Å; Y193-K215 HydrophobicContact CD2-CB 3.47Å; Y193-K215 VanDerWaalsContact CD2-CB 3.47Å; Y193-K215 HydrophobicContact CD2-CD 4.4Å; Y193-K215 HydrophobicContact CE1-CB 4.42Å; Y193-K215 HydrophobicContact CE1-CD 3.7Å; Y193-K215 HydrophobicContact CE2-CB 3.4Å; Y193-K215 HydrophobicContact CE2-CD 4.19Å; Y193-K215 HydrophobicContact CE2-CG 4.45Å; Y193-K215 HydrophobicContact CG-CB 4.04Å; Y193-K215 HydrophobicContact CG-CD 4.29Å; K215-R243 VanDerWaalsContact CE-NH1 3.28Å
216E76.1Confident88.4Confident168 Ų16887.4 Ų87.479%0.78546%0.456SS*.PPolyproline II helixtrans-66.8135.1167.5-64.5-172.9175.900109.3M214M214-E216 PolarHBondContact O-N 2.96Å; M214-E216 VanDerWaalsContact O-N 3.14Å
217L81.3Confident88.5Confident65 Ų6584.1 Ų84.134%0.3444%0.438SS..  trans-97.6114174.8-61.4169.4000107.3L241 R243 I245L217-L241 HydrophobicContact CB-CD2 4.12Å; L217-L241 HydrophobicContact CD1-CD1 4.11Å; L217-R243 HydrophobicContact CD2-CG 4.36Å; L217-I245 HydrophobicContact CD1-CD1 3.29Å; L217-I245 HydrophobicContact CD1-CG1 3.81Å; L217-I245 HydrophobicContact CD2-CD1 3.36Å; L217-I245 HydrophobicContact CG-CD1 3.92Å
218S86.1Confident88.5Confident69 Ų6980.9 Ų80.948%0.48342%0.421SS..  trans-75.6137.9176.5-46.10000109.7L241 N242S218-L241 CarbonylContact O-C 3.52Å; S218-N242 WeakPolarHBondContact O-CB 3.25Å; S218-N242 PolarHBondContact O-N 3.1Å
219V91.6Very high88.3Confident60 Ų6078.6 Ų78.636%0.36442%0.424SS..EExtended strand (participates in β ladder)trans-82120.7168.6178.60000108K221 I222 L239 K240 L241V219-K221 VanDerWaalsContact CG1-O 3.24Å; V219-K221 WeakPolarHBondContact CG1-O 3.32Å; V219-I222 HydrophobicContact CG1-CD1 4.47Å; V219-I222 HydrophobicContact CG1-CG1 3.71Å; V219-L239 HydrophobicContact CG1-CB 3.99Å; V219-L239 HydrophobicContact CG1-CD2 4.22Å; V219-L239 HydrophobicContact CG2-CB 4.14Å; V219-L239 HydrophobicContact CG2-CD1 4.27Å; V219-K240 CarbonylContact C-O 3.6Å; V219-K240 WeakPolarHBondContact CA-O 3.48Å; V219-L241 HydrophobicContact CG2-CD2 4.37Å
220V93.2Very high88Confident93 Ų9381.3 Ų81.356%0.56444%0.444SS*.EExtended strand (participates in β ladder)trans-91.5-20.7178.2-68.20000112.8K240 N242V220-K240 HydrophobicContact CG2-CB 4.18Å; V220-K240 HydrophobicContact CG2-CG 3.68Å; V220-K240 VanDerWaalsContact CG2-O 3.31Å; V220-K240 WeakPolarHBondContact CG2-O 3.49Å; V220-K240 PolarHBondContact N-O 3.44Å; V220-N242 VanDerWaalsContact CG1-CA 3.47Å; V220-N242 HydrophobicContact CG1-CB 3.46Å; V220-N242 VanDerWaalsContact CG1-CB 3.46Å
221K94.8Very high87.7Confident91 Ų9177.5 Ų77.540%0.39643%0.426SS..EExtended strand (participates in β ladder)trans-154143178-164.8158.2173.7-141.50111.1V219 E223 K240 L378V219-K221 VanDerWaalsContact CG1-O 3.24Å; V219-K221 WeakPolarHBondContact CG1-O 3.32Å; K221-E223 WeakPolarHBondContact CE-OE1 3.39Å; K221-E223 IonicContact NZ-OE1 3.29Å; K221-E223 PolarHBondContact NZ-OE1 3.26Å; K221-K240 HydrophobicContact CB-CB 4.2Å; K221-K240 PolarHBondContact N-O 3.24Å; K221-K240 PolarHBondContact O-N 3.08Å; K221-L378 HydrophobicContact CB-CD2 4Å; K221-L378 HydrophobicContact CD-CD2 3.38Å; K221-L378 HydrophobicContact CG-CD2 3.69Å
222I95.7Very high87.3Confident106 Ų10678.2 Ų78.254%0.54443%0.426SS..EExtended strand (participates in β ladder)trans-121.1126.1177.1-55.9178.6000106.5V219 V224 L239V219-I222 HydrophobicContact CG1-CD1 4.47Å; V219-I222 HydrophobicContact CG1-CG1 3.71Å; I222-V224 HydrophobicContact CG2-CG2 3.94Å; I222-L239 HydrophobicContact CB-CD2 4.24Å; I222-L239 HydrophobicContact CD1-CD2 4.4Å; I222-L239 HydrophobicContact CG1-CD2 3.83Å; I222-L239 HydrophobicContact CG2-CD2 3.86Å
223E95.6Very high87.1Confident51 Ų5176.2 Ų76.224%0.23841%0.413CS..EExtended strand (participates in β ladder)trans-119.7120.8173.4-68-75.4-17800107.8K221 A237 L238 T374 L378K221-E223 WeakPolarHBondContact CE-OE1 3.39Å; K221-E223 IonicContact NZ-OE1 3.29Å; K221-E223 PolarHBondContact NZ-OE1 3.26Å; E223-A237 CarbonylContact O-C 3.48Å; E223-A237 VanDerWaalsContact O-CA 3.25Å; E223-A237 WeakPolarHBondContact O-CA 3.36Å; E223-L238 PolarHBondContact N-O 3.4Å; E223-L238 PolarHBondContact O-N 3.49Å; E223-T374 HydrophobicContact CB-CG2 3.45Å; E223-T374 VanDerWaalsContact CB-CG2 3.45Å; E223-T374 HydrophobicContact CG-CG2 3.71Å; E223-L378 HydrophobicContact CG-CD1 3.91Å; E223-L378 HydrophobicContact CG-CD2 3.73Å; E223-L378 HydrophobicContact CG-CG 4.06Å
224V95.1Very high87.4Confident84 Ų8477.4 Ų77.451%0.50941%0.412SS..EExtended strand (participates in β ladder)trans-109.8138.5-178.8-167.50000107.8I222 A237I222-V224 HydrophobicContact CG2-CG2 3.94Å; V224-A237 HydrophobicContact CB-CB 4.46Å; V224-A237 HydrophobicContact CG1-CB 4.36Å; V224-A237 HydrophobicContact CG2-CB 4.1Å
225A92.8Very high88.1Confident7 Ų774.3 Ų74.36%0.05840%0.398CS..  trans-65.7171.1169.100000110.3Y227 Q234 I236 W370A225-Y227 PolarHBondContact O-N 3.44Å; A225-Q234 HydrophobicContact CB-CB 3.95Å; A225-I236 HydrophobicContact CB-CG2 3.55Å; A225-I236 PolarHBondContact N-O 2.98Å; A225-W370 HydrophobicContact CB-CD2 4.2Å; A225-W370 HydrophobicContact CB-CH2 4.4Å; A225-W370 HydrophobicContact CB-CZ2 3.9Å; A225-W370 VanDerWaalsContact N-CZ2 3.31Å
226D90.8Very high89.1Confident130 Ų13071.6 Ų71.670%0.69539%0.387SS*.  trans-73.873-178.2-174.732000111.2N228 Q234D226-N228 PolarHBondContact O-N 3.47Å; D226-Q234 WeakPolarHBondContact O-CB 3.24Å; D226-Q234 PolarHBondContact O-NE2 2.81Å
227Y88.2Confident90Very high81 Ų8166.2 Ų66.232%0.31837%0.371SS..  trans-64.1124.6-171.1176.2-119000111.6A225 T229 H232 A233 D235A225-Y227 PolarHBondContact O-N 3.44Å; Y227-T229 HydrophobicContact CD1-CG2 3.98Å; Y227-T229 HydrophobicContact CE1-CG2 3.78Å; Y227-H232 PolarHBondContact OH-ND1 2.99Å; Y227-A233 WeakPolarHBondContact CD2-O 3.5Å; Y227-D235 HydrophobicContact CD2-CB 3.85Å; Y227-D235 HydrophobicContact CE2-CB 3.64Å
228N85.9Confident90.8Very high69 Ų6964.9 Ų64.937%0.36936%0.364SS..  trans-95.2106.9176-172.4-41.6000109.9D226 T230 S231 H232 A233D226-N228 PolarHBondContact O-N 3.47Å; N228-T230 PolarHBondContact O-N 3.12Å; N228-T230 WeakPolarHBondContact OD1-CB 3.29Å; N228-T230 PolarHBondContact OD1-N 2.81Å; N228-S231 WeakPolarHBondContact CB-OG 3.12Å; N228-S231 PolarHBondContact ND2-OG 2.89Å; N228-S231 PolarHBondContact O-N 3.46Å; N228-S231 PolarHBondContact OD1-N 3.48Å; N228-S231 PolarHBondContact OD1-OG 3.48Å; N228-H232 VanDerWaalsContact O-CA 3.26Å; N228-H232 WeakPolarHBondContact O-CA 3.33Å; N228-H232 PolarHBondContact O-N 2.96Å; N228-A233 HydrophobicContact CB-CB 4.18Å; N228-A233 PolarHBondContact N-O 2.9Å
229T83Confident91.2Very high106 Ų10666.2 Ų66.265%0.6537%0.365SS*.THydrogen-bonded Turntrans-63.7-20.9-178.554.20000114.1Y227Y227-T229 HydrophobicContact CD1-CG2 3.98Å; Y227-T229 HydrophobicContact CE1-CG2 3.78Å
230T83.7Confident91.3Very high108 Ų10865.3 Ų65.366%0.66336%0.356SS*.THydrogen-bonded Turntrans-87.1-41.6-179.6-53.20000112N228N228-T230 PolarHBondContact O-N 3.12Å; N228-T230 WeakPolarHBondContact OD1-CB 3.29Å; N228-T230 PolarHBondContact OD1-N 2.81Å
231S84.4Confident91.3Very high26 Ų2663.6 Ų63.618%0.18234%0.343CS..THydrogen-bonded Turntrans-101.7-5.3-175.865.80000114.2N228 A233N228-S231 WeakPolarHBondContact CB-OG 3.12Å; N228-S231 PolarHBondContact ND2-OG 2.89Å; N228-S231 PolarHBondContact O-N 3.46Å; N228-S231 PolarHBondContact OD1-N 3.48Å; N228-S231 PolarHBondContact OD1-OG 3.48Å; S231-A233 PolarHBondContact O-N 2.77Å; S231-A233 VanDerWaalsContact O-N 3.1Å; S231-A233 VanDerWaalsContact OG-CB 3.29Å; S231-A233 WeakPolarHBondContact OG-CB 3.17Å; S231-A233 PolarHBondContact OG-N 2.66Å
232H83.4Confident91Very high52 Ų5262.7 Ų62.724%0.24134%0.343CS..  trans5617-168.9-58.1-70.5000113.9Y227 N228 M309 F346Y227-H232 PolarHBondContact OH-ND1 2.99Å; N228-H232 VanDerWaalsContact O-CA 3.26Å; N228-H232 WeakPolarHBondContact O-CA 3.33Å; N228-H232 PolarHBondContact O-N 2.96Å; H232-M309 HydrophobicContact CB-CE 4.27Å; H232-M309 WeakPolarHBondContact O-CE 2.9Å; H232-F346 HydrophobicContact CB-CD1 3.91Å; H232-F346 HydrophobicContact CB-CE1 3.79Å
233A86Confident90.5Very high11 Ų1162 Ų629%0.09133%0.333CS..THydrogen-bonded Turntrans-69.6147.1175.400000110.4Y227 N228 S231 D235 H308Y227-A233 WeakPolarHBondContact CD2-O 3.5Å; N228-A233 HydrophobicContact CB-CB 4.18Å; N228-A233 PolarHBondContact N-O 2.9Å; S231-A233 PolarHBondContact O-N 2.77Å; S231-A233 VanDerWaalsContact O-N 3.1Å; S231-A233 VanDerWaalsContact OG-CB 3.29Å; S231-A233 WeakPolarHBondContact OG-CB 3.17Å; S231-A233 PolarHBondContact OG-N 2.66Å; A233-D235 VanDerWaalsContact C-N 3.3Å; A233-D235 PolarHBondContact O-N 3.09Å; A233-H308 WeakPolarHBondContact CB-NE2 3.49Å
234Q90.7Very high90.1Very high61 Ų6166.3 Ų66.329%0.28535%0.354SS..THydrogen-bonded Turntrans61.733.3178.5-42.3-174.673.200114A225 D226 I236 Y367A225-Q234 HydrophobicContact CB-CB 3.95Å; D226-Q234 WeakPolarHBondContact O-CB 3.24Å; D226-Q234 PolarHBondContact O-NE2 2.81Å; Q234-I236 PolarHBondContact O-N 3.39Å; Q234-Y367 WeakPolarHBondContact CA-OH 3.35Å; Q234-Y367 HydrophobicContact CB-CE1 4.03Å; Q234-Y367 HydrophobicContact CG-CE1 3.88Å; Q234-Y367 WeakPolarHBondContact CG-OH 3.21Å; Q234-Y367 PolarHBondContact N-OH 3.22Å
235D95.3Very high89.5Confident53 Ų5364.3 Ų64.328%0.28334%0.34SS..  trans-74.971.3174-168.112.6000111.2Y227 A233 S345 T362Y227-D235 HydrophobicContact CD2-CB 3.85Å; Y227-D235 HydrophobicContact CE2-CB 3.64Å; A233-D235 VanDerWaalsContact C-N 3.3Å; A233-D235 PolarHBondContact O-N 3.09Å; D235-S345 VanDerWaalsContact OD2-CB 3.3Å; D235-S345 WeakPolarHBondContact OD2-CB 3.37Å; D235-S345 PolarHBondContact OD2-OG 2.74Å; D235-T362 WeakPolarHBondContact O-CB 3.35Å; D235-T362 PolarHBondContact O-OG1 3.25Å
236I96.8Very high88.9Confident13 Ų1370.1 Ų70.17%0.06737%0.374CS..  trans-148.8140.3179.8-169.9169.5000110.8A225 Q234 T362 Y367 W370 I371A225-I236 HydrophobicContact CB-CG2 3.55Å; A225-I236 PolarHBondContact N-O 2.98Å; Q234-I236 PolarHBondContact O-N 3.39Å; I236-T362 HydrophobicContact CB-CG2 4Å; I236-T362 HydrophobicContact CG2-CG2 4.39Å; I236-Y367 HydrophobicContact CG2-CD1 4.05Å; I236-Y367 HydrophobicContact CG2-CE1 4.42Å; I236-Y367 HydrophobicContact CG2-CG 4.15Å; I236-W370 HydrophobicContact CD1-CZ3 4.31Å; I236-W370 HydrophobicContact CG1-CZ3 4.11Å; I236-W370 HydrophobicContact CG2-CE3 4.19Å; I236-W370 HydrophobicContact CG2-CH2 4.49Å; I236-W370 HydrophobicContact CG2-CZ3 4.01Å; I236-I371 HydrophobicContact CD1-CD1 3.96Å; I236-I371 HydrophobicContact CD1-CG1 4.25Å
237A96.5Very high88.6Confident54 Ų5470.8 Ų70.845%0.44637%0.368SS..EExtended strand (participates in β ladder)trans-137.8152.9174.600000110.4E223 V224E223-A237 CarbonylContact O-C 3.48Å; E223-A237 VanDerWaalsContact O-CA 3.25Å; E223-A237 WeakPolarHBondContact O-CA 3.36Å; V224-A237 HydrophobicContact CB-CB 4.46Å; V224-A237 HydrophobicContact CG1-CB 4.36Å; V224-A237 HydrophobicContact CG2-CB 4.1Å
238L96.7Very high88.1Confident37 Ų3770.9 Ų70.919%0.19437%0.374CS..EExtended strand (participates in β ladder)trans-120.6128.3176.1-162.7145000109.5E223 W370 I371 T374 I375 L378E223-L238 PolarHBondContact N-O 3.4Å; E223-L238 PolarHBondContact O-N 3.49Å; L238-W370 HydrophobicContact CB-CH2 4.12Å; L238-W370 HydrophobicContact CB-CZ3 4.37Å; L238-I371 HydrophobicContact CD1-CG2 4.02Å; L238-T374 HydrophobicContact CB-CG2 4.25Å; L238-T374 HydrophobicContact CD2-CG2 4.49Å; L238-I375 HydrophobicContact CD1-CD1 4.34Å; L238-I375 HydrophobicContact CD1-CG1 3.83Å; L238-L378 HydrophobicContact CD2-CD1 3.35Å
239L95.2Very high87.7Confident97 Ų9774.3 Ų74.351%0.50839%0.392SS..EExtended strand (participates in β ladder)trans-106.2119.1-177.5-52.3179.5000109.2V219 I222V219-L239 HydrophobicContact CG1-CB 3.99Å; V219-L239 HydrophobicContact CG1-CD2 4.22Å; V219-L239 HydrophobicContact CG2-CB 4.14Å; V219-L239 HydrophobicContact CG2-CD1 4.27Å; I222-L239 HydrophobicContact CB-CD2 4.24Å; I222-L239 HydrophobicContact CD1-CD2 4.4Å; I222-L239 HydrophobicContact CG1-CD2 3.83Å; I222-L239 HydrophobicContact CG2-CD2 3.86Å
240K94.2Very high87.4Confident42 Ų4274.5 Ų74.518%0.18338%0.384CS..EExtended strand (participates in β ladder)trans-87.7117.3170.5176.562.2171.9173.30108.8V219 V220 K221 L378 E383V219-K240 CarbonylContact C-O 3.6Å; V219-K240 WeakPolarHBondContact CA-O 3.48Å; V220-K240 HydrophobicContact CG2-CB 4.18Å; V220-K240 HydrophobicContact CG2-CG 3.68Å; V220-K240 VanDerWaalsContact CG2-O 3.31Å; V220-K240 WeakPolarHBondContact CG2-O 3.49Å; V220-K240 PolarHBondContact N-O 3.44Å; K221-K240 HydrophobicContact CB-CB 4.2Å; K221-K240 PolarHBondContact N-O 3.24Å; K221-K240 PolarHBondContact O-N 3.08Å; K240-L378 HydrophobicContact CB-CB 4.47Å; K240-L378 HydrophobicContact CB-CD1 4.04Å; K240-L378 HydrophobicContact CB-CD2 4.45Å; K240-E383 IonicContact NZ-OE2 3.3Å
241L92.4Very high87.5Confident56 Ų5673.1 Ų73.129%0.29337%0.372SS..EExtended strand (participates in β ladder)trans-70.6152.8172.2-55.6176.1000110.6L217 S218 V219 R243 I245L217-L241 HydrophobicContact CB-CD2 4.12Å; L217-L241 HydrophobicContact CD1-CD1 4.11Å; S218-L241 CarbonylContact O-C 3.52Å; V219-L241 HydrophobicContact CG2-CD2 4.37Å; L241-R243 WeakPolarHBondContact CB-O 3.48Å; L241-R243 PolarHBondContact O-N 3.23Å; L241-R243 VanDerWaalsContact O-N 3.13Å; L241-I245 HydrophobicContact CD1-CD1 4.35Å; L241-I245 HydrophobicContact CD1-CG1 3.83Å
242N88.2Confident87.7Confident73 Ų7378.6 Ų78.639%0.3940%0.395SS..SBendtrans-63-14.3178.267.2-19.7000114.6S218 V220S218-N242 WeakPolarHBondContact O-CB 3.25Å; S218-N242 PolarHBondContact O-N 3.1Å; V220-N242 VanDerWaalsContact CG1-CA 3.47Å; V220-N242 HydrophobicContact CG1-CB 3.46Å; V220-N242 VanDerWaalsContact CG1-CB 3.46Å
243R85.5Confident88.2Confident90 Ų9077.7 Ų77.734%0.3440%0.399SS..SBendtrans-155.4159176.264.7-172.8180156.19.2110.1K215 L217 L241 I245K215-R243 VanDerWaalsContact CE-NH1 3.28Å; L217-R243 HydrophobicContact CD2-CG 4.36Å; L241-R243 WeakPolarHBondContact CB-O 3.48Å; L241-R243 PolarHBondContact O-N 3.23Å; L241-R243 VanDerWaalsContact O-N 3.13Å; R243-I245 HydrophobicContact CG-CD1 4.36Å
244E86.7Confident88.7Confident142 Ų14280.4 Ų80.466%0.66441%0.411SS*.PPolyproline II helixtrans-70.8147.4168.4-63.7-175.1159.200110.8
245I83.8Confident89Confident43 Ų4380.3 Ų80.322%0.22142%0.417CS..PPolyproline II helixtrans-100127.6-179.8-54-54.6000108.8L217 L241 R243 Y247 I251L217-I245 HydrophobicContact CD1-CD1 3.29Å; L217-I245 HydrophobicContact CD1-CG1 3.81Å; L217-I245 HydrophobicContact CD2-CD1 3.36Å; L217-I245 HydrophobicContact CG-CD1 3.92Å; L241-I245 HydrophobicContact CD1-CD1 4.35Å; L241-I245 HydrophobicContact CD1-CG1 3.83Å; R243-I245 HydrophobicContact CG-CD1 4.36Å; I245-Y247 PolarHBondContact O-N 3.26Å; I245-I251 HydrophobicContact CG2-CD1 4.13Å; I245-I251 HydrophobicContact CG2-CG2 3.74Å
246V80.4Confident89.1Confident128 Ų12881.3 Ų81.378%0.77642%0.422SS*.PPolyproline II helixtrans-73.5123170.1-177.60000107.1
247Y84.4Confident89Confident144 Ų14480.9 Ų80.957%0.56542%0.42SS*.PPolyproline II helixtrans-69.1144.9176-61.1-28.9000111.5I245 I251 Q252I245-Y247 PolarHBondContact O-N 3.26Å; Y247-I251 CarbonylContact C-O 3.56Å; Y247-I251 WeakPolarHBondContact CA-O 3.31Å; Y247-I251 WeakPolarHBondContact CB-O 3.5Å; Y247-I251 HydrophobicContact CD1-CG2 4.4Å; Y247-Q252 VanDerWaalsContact CG-OE1 3.3Å
248D77.5Confident89Confident83 Ų8383 Ų8344%0.44442%0.424SS..  trans-146.5-172.2178.265.330.1000110.3F250 I251D248-F250 PolarHBondContact O-N 3.13Å; D248-F250 VanDerWaalsContact O-N 3.09Å; D248-F250 WeakPolarHBondContact OD1-CA 3.25Å; D248-F250 WeakPolarHBondContact OD1-CB 3.22Å; D248-F250 PolarHBondContact OD1-N 2.98Å; D248-I251 PolarHBondContact N-O 2.92Å; D248-I251 PolarHBondContact O-N 3.32Å; D248-I251 VanDerWaalsContact O-O 3.1Å; D248-I251 PolarHBondContact OD1-N 3.24Å
249D76.9Confident88.9Confident141 Ų14185.9 Ų85.975%0.75444%0.436SS*.SBendtrans-63.7-13.8-178.4-62.4-27000113.8I13I13-D249 HydrophobicContact CG2-CB 4.13Å
250F77.6Confident88.8Confident110 Ų11085.7 Ų85.748%0.48244%0.436SS..SBendtrans-114.3-20.2-179.8-61-62.4000114N11 G12 I13 D248N11-F250 VanDerWaalsContact O-CE2 3.27Å; N11-F250 WeakPolarHBondContact O-CE2 3.46Å; G12-F250 VanDerWaalsContact C-CZ 3.41Å; G12-F250 VanDerWaalsContact O-CZ 3.29Å; G12-F250 WeakPolarHBondContact O-CZ 3.32Å; I13-F250 HydrophobicContact CB-CE2 3.95Å; I13-F250 HydrophobicContact CB-CZ 4.1Å; I13-F250 HydrophobicContact CG1-CE2 4.5Å; I13-F250 HydrophobicContact CG2-CD2 4.03Å; I13-F250 HydrophobicContact CG2-CE1 4.41Å; I13-F250 HydrophobicContact CG2-CE2 3.11Å; I13-F250 HydrophobicContact CG2-CZ 3.33Å; D248-F250 PolarHBondContact O-N 3.13Å; D248-F250 VanDerWaalsContact O-N 3.09Å; D248-F250 WeakPolarHBondContact OD1-CA 3.25Å; D248-F250 WeakPolarHBondContact OD1-CB 3.22Å; D248-F250 PolarHBondContact OD1-N 2.98Å
251I84.5Confident88.7Confident79 Ų7985.3 Ų85.341%0.40544%0.435SS..  trans-122.8110.1-178.6-54.8169.9000108.8I245 Y247 D248I245-I251 HydrophobicContact CG2-CD1 4.13Å; I245-I251 HydrophobicContact CG2-CG2 3.74Å; Y247-I251 CarbonylContact C-O 3.56Å; Y247-I251 WeakPolarHBondContact CA-O 3.31Å; Y247-I251 WeakPolarHBondContact CB-O 3.5Å; Y247-I251 HydrophobicContact CD1-CG2 4.4Å; D248-I251 PolarHBondContact N-O 2.92Å; D248-I251 PolarHBondContact O-N 3.32Å; D248-I251 VanDerWaalsContact O-O 3.1Å; D248-I251 PolarHBondContact OD1-N 3.24Å
252Q89.2Confident88.4Confident142 Ų14289.7 Ų89.766%0.66445%0.454SS*.  trans-135.5140.5174.9-177.961.5-65.600110.1Y247Y247-Q252 VanDerWaalsContact CG-OE1 3.3Å
253G93.7Very high87.9Confident32 Ų3287.1 Ų87.133%0.3344%0.44SS..PPolyproline II helixtrans-72.3134.8172.100000111.2
254I96.6Very high87Confident68 Ų6889.9 Ų89.935%0.34946%0.46SS..PPolyproline II helixtrans-77143.9171.6-168.5165.5000110.4A331 F338 L340I254-A331 HydrophobicContact CD1-CB 3.57Å; I254-F338 HydrophobicContact CD1-CB 4.39Å; I254-F338 WeakPolarHBondContact CG1-O 3.25Å; I254-L340 HydrophobicContact CD1-CB 3.9Å; I254-L340 HydrophobicContact CD1-CD1 4.35Å; I254-L340 HydrophobicContact CG1-CB 4.09Å; I254-L340 HydrophobicContact CG2-CB 3.8Å; I254-L340 HydrophobicContact CG2-CD2 4.15Å; I254-L340 HydrophobicContact CG2-CG 4.38Å
255C96.4Very high85.9Confident59 Ų5984.3 Ų84.340%0.39944%0.441SS..BIsolated β-bridgetrans-67.5145.9176-66.40000111.2F338 V339 L340C255-F338 PolarHBondContact N-O 2.79Å; C255-V339 HydrophobicContact CB-CG2 4Å; C255-V339 CarbonylContact O-C 3.58Å; C255-V339 WeakPolarHBondContact O-CA 3.42Å; C255-L340 PolarHBondContact O-N 2.95Å
256L97.1Very high85.1Confident75 Ų7586.9 Ų86.939%0.39346%0.463SS..PPolyproline II helixtrans-88.6147.9167.6-65.5178.5000109.7L340 V364 L368 I371L256-L340 HydrophobicContact CD2-CD2 4.32Å; L256-V364 HydrophobicContact CD2-CG1 4.05Å; L256-L368 HydrophobicContact CB-CD2 4.11Å; L256-L368 HydrophobicContact CD1-CD2 4.18Å; L256-I371 HydrophobicContact CD1-CG2 4.19Å
257P95.6Very high84.8Confident4 Ų489.5 Ų89.53%0.02647%0.467CS..  trans-69.5176.5175.529.5-35.4000111.2E261 V339 L340 Y341 V364 L368P257-E261 HydrophobicContact CB-CB 4.41Å; P257-V339 HydrophobicContact CB-CG1 3.78Å; P257-V339 HydrophobicContact CG-CG1 4.39Å; P257-L340 WeakPolarHBondContact CD-O 2.94Å; P257-Y341 HydrophobicContact CB-CD1 4.14Å; P257-Y341 HydrophobicContact CB-CE1 3.85Å; P257-V364 HydrophobicContact CG-CB 4.4Å; P257-V364 HydrophobicContact CG-CG1 4.1Å; P257-L368 HydrophobicContact CG-CD1 4.49Å; P257-L368 WeakPolarHBondContact O-CD1 3.3Å
258D95.5Very high84.8Confident98 Ų9883.9 Ų83.952%0.52445%0.448SS..  trans-76159.4164.9-65.7-49000111N260 E261 K334 S365 L368D258-N260 PolarHBondContact O-N 2.73Å; D258-E261 HydrophobicContact CB-CB 4.12Å; D258-E261 WeakPolarHBondContact CB-OE2 3.25Å; D258-E261 PolarHBondContact N-OE2 2.98Å; D258-E261 VanDerWaalsContact O-CB 3.25Å; D258-E261 WeakPolarHBondContact O-CB 3.27Å; D258-E261 PolarHBondContact O-N 3.4Å; D258-K334 IonicContact OD2-NZ 3.94Å; D258-S365 WeakPolarHBondContact O-CB 3.36Å; D258-L368 VanDerWaalsContact C-CD1 3.44Å
259E95.6Very high85.5Confident97 Ų9783.6 Ų83.645%0.45345%0.446SS..THydrogen-bonded Turntrans-65.5131-178.2-172.9-179.5153.900110.7E261 L368 P369E259-E261 PolarHBondContact O-N 2.99Å; E259-L368 HydrophobicContact CB-CD1 4.28Å; E259-P369 HydrophobicContact CG-CG 4.13Å; E259-P369 WeakPolarHBondContact OE1-CG 3.41Å
260N92.7Very high86.3Confident93 Ų9376.9 Ų76.950%0.49741%0.41SS..THydrogen-bonded Turntrans55.617.6-175.4-56.5-53.6000114.7D258 E262 S365D258-N260 PolarHBondContact O-N 2.73Å; N260-E262 PolarHBondContact O-N 2.86Å; N260-S365 PolarHBondContact N-O 2.95Å
261E92.2Very high87.2Confident35 Ų3572.6 Ų72.616%0.16439%0.393CS..PPolyproline II helixtrans-59130.4173.1-170.5-178.9156.600110.6P257 D258 E259 K334 Y341 S365P257-E261 HydrophobicContact CB-CB 4.41Å; D258-E261 HydrophobicContact CB-CB 4.12Å; D258-E261 WeakPolarHBondContact CB-OE2 3.25Å; D258-E261 PolarHBondContact N-OE2 2.98Å; D258-E261 VanDerWaalsContact O-CB 3.25Å; D258-E261 WeakPolarHBondContact O-CB 3.27Å; D258-E261 PolarHBondContact O-N 3.4Å; E259-E261 PolarHBondContact O-N 2.99Å; E261-K334 WeakPolarHBondContact OE1-CD 3.01Å; E261-K334 WeakPolarHBondContact OE1-CE 3.39Å; E261-K334 IonicContact OE1-NZ 3.14Å; E261-K334 PolarHBondContact OE1-NZ 2.83Å; E261-K334 IonicContact OE2-NZ 3.15Å; E261-K334 PolarHBondContact OE2-NZ 3.07Å; E261-Y341 HydrophobicContact CG-CE1 4.27Å; E261-Y341 PolarHBondContact OE1-OH 2.69Å; E261-S365 WeakPolarHBondContact O-CB 3.47Å; E261-S365 PolarHBondContact O-OG 2.98Å
262E86.1Confident87.7Confident147 Ų14769.4 Ų69.469%0.68738%0.377SS*.PPolyproline II helixtrans-94.9140.8174-62.5-159.6152.700110.9N260N260-E262 PolarHBondContact O-N 2.86Å
263L77.2Confident88Confident20 Ų2064.3 Ų64.311%0.10536%0.356CS..PPolyproline II helixtrans-69.1129.7175-81166.3000110.9G265 I294 V310 C332 Y341L263-G265 PolarHBondContact O-N 3.19Å; L263-I294 HydrophobicContact CB-CG2 4.37Å; L263-I294 HydrophobicContact CD1-CD1 3.8Å; L263-I294 HydrophobicContact CD1-CG1 4.06Å; L263-I294 HydrophobicContact CD1-CG2 4.25Å; L263-V310 HydrophobicContact CD1-CG1 3.85Å; L263-V310 HydrophobicContact CD1-CG2 4.33Å; L263-C332 HydrophobicContact CD2-CB 3.98Å; L263-Y341 HydrophobicContact CD1-CD1 4.15Å; L263-Y341 HydrophobicContact CD1-CG 4.06Å; L263-Y341 HydrophobicContact CD2-CD1 3.47Å; L263-Y341 VanDerWaalsContact CD2-CD1 3.47Å; L263-Y341 HydrophobicContact CD2-CD2 3.52Å; L263-Y341 HydrophobicContact CD2-CE1 3.59Å; L263-Y341 HydrophobicContact CD2-CE2 3.59Å; L263-Y341 HydrophobicContact CD2-CG 3.42Å; L263-Y341 VanDerWaalsContact CD2-CG 3.42Å; L263-Y341 HydrophobicContact CG-CD1 3.51Å; L263-Y341 HydrophobicContact CG-CD2 4.39Å; L263-Y341 HydrophobicContact CG-CE1 3.88Å; L263-Y341 HydrophobicContact CG-CG 3.78Å
264L66.6Low88Confident147 Ų14763.1 Ų63.177%0.7734%0.344SS*.  trans-76.287.4176.6-64.3177.8000110.6S268L264-S268 PolarHBondContact O-OG 3.39Å
265G63.8Low87.9Confident25 Ų2567.1 Ų67.126%0.25836%0.355SS..THydrogen-bonded Turntrans60.1-171.1156.100000117.8L263 E267 N296L263-G265 PolarHBondContact O-N 3.19Å; G265-E267 PolarHBondContact O-N 3.41Å; G265-N296 WeakPolarHBondContact CA-ND2 3.3Å; G265-N296 PolarHBondContact N-ND2 2.99Å
266S67.5Low87.6Confident97 Ų9764.5 Ų64.568%0.67834%0.338SS*.THydrogen-bonded Turntrans-73-6.2179.447.40000114.3
267E75.3Confident87.3Confident183 Ų18366.6 Ų66.686%0.85534%0.34SS*.THydrogen-bonded Turntrans-89.6-12.8179.7-62.9-175174.800112.9G265 I269G265-E267 PolarHBondContact O-N 3.41Å; E267-I269 PolarHBondContact O-N 2.84Å
268S83.2Confident86.9Confident26 Ų2669 Ų6918%0.18235%0.353CS..SBendtrans-69124.1176.5-69.60000110.9L264 C270L264-S268 PolarHBondContact O-OG 3.39Å; S268-C270 PolarHBondContact O-N 2.9Å
269I92.1Very high86.3Confident77 Ų7767.9 Ų67.940%0.39536%0.357SS..  trans-74107.9170.7-59.7174.5000107.9E267 C332 L333E267-I269 PolarHBondContact O-N 2.84Å; I269-C332 CarbonylContact O-C 3.57Å; I269-C332 WeakPolarHBondContact O-CA 3.32Å; I269-L333 HydrophobicContact CB-CB 4.2Å; I269-L333 HydrophobicContact CD1-CD2 4.26Å; I269-L333 PolarHBondContact O-N 3.13Å
270C94.3Very high85.9Confident0 Ų068.4 Ų68.40%036%0.363CS..EExtended strand (participates in β ladder)trans-118.4135177.1-65.60000110.9S268 Q291 V292 I294 L330 A331 C332S268-C270 PolarHBondContact O-N 2.9Å; C270-Q291 CarbonylContact O-C 3.57Å; C270-Q291 VanDerWaalsContact O-CA 3.31Å; C270-Q291 WeakPolarHBondContact O-CA 3.39Å; C270-V292 HydrophobicContact CB-CG2 4.21Å; C270-V292 PolarHBondContact O-N 3.04Å; C270-I294 HydrophobicContact CB-CD1 4.06Å; C270-I294 HydrophobicContact CB-CG1 4.42Å; C270-I294 VanDerWaalsContact SG-CD1 3.56Å; C270-I294 VanDerWaalsContact SG-CG1 3.58Å; C270-L330 HydrophobicContact CB-CD1 4.05Å; C270-A331 CarbonylContact C-O 3.59Å; C270-A331 WeakPolarHBondContact CA-O 3.4Å; C270-C332 HydrophobicContact CB-CB 4.13Å; C270-C332 WeakPolarHBondContact CB-SG 3.39Å; C270-C332 WeakPolarHBondContact SG-CB 3.17Å; C270-C332 CovalentContact SG-SG 2.05Å; C270-C332 PolarHBondContact SG-SG 3.03Å
271V95.3Very high85.6Confident21 Ų2166.2 Ų66.213%0.12736%0.362CS..EExtended strand (participates in β ladder)trans-126.2133.4-177.3-176.70000109.4T273 E289 L290 A331 F338V271-T273 HydrophobicContact CG1-CG2 4.02Å; V271-E289 HydrophobicContact CG1-CB 3.97Å; V271-L290 CarbonylContact C-O 3.49Å; V271-L290 WeakPolarHBondContact CA-O 3.46Å; V271-A331 PolarHBondContact N-O 3.02Å; V271-A331 PolarHBondContact O-N 3.01Å; V271-F338 HydrophobicContact CG2-CE1 4.39Å
272V95.3Very high85.4Confident11 Ų1172 Ų727%0.06738%0.382CS..EExtended strand (participates in β ladder)trans-101.2133.9167.9-1760000107.7E289 L290 V292 A321 P329 L330 V344 F361V272-E289 CarbonylContact O-C 3.56Å; V272-E289 WeakPolarHBondContact O-CA 3.45Å; V272-L290 PolarHBondContact N-O 2.84Å; V272-L290 PolarHBondContact O-N 3.09Å; V272-V292 HydrophobicContact CG2-CG1 4Å; V272-V292 HydrophobicContact CG2-CG2 3.81Å; V272-A321 HydrophobicContact CG1-CB 4.4Å; V272-P329 WeakPolarHBondContact CA-O 3.2Å; V272-L330 HydrophobicContact CG2-CD1 3.6Å; V272-V344 HydrophobicContact CG1-CG2 3.89Å; V272-F361 HydrophobicContact CG1-CE1 4.38Å; V272-F361 HydrophobicContact CG2-CE1 3.8Å; V272-F361 HydrophobicContact CG2-CZ 3.61Å
273T95.8Very high85.5Confident35 Ų3570.8 Ų70.822%0.21538%0.381CS..EExtended strand (participates in β ladder)trans-123.9149.3175.159.90000110.9V271 Q288 E289 P329V271-T273 HydrophobicContact CG1-CG2 4.02Å; T273-Q288 VanDerWaalsContact CA-O 3.23Å; T273-Q288 WeakPolarHBondContact CA-O 3.48Å; T273-Q288 WeakPolarHBondContact CB-O 3.36Å; T273-E289 HydrophobicContact CG2-CB 3.88Å; T273-P329 WeakPolarHBondContact OG1-CG 3.42Å
274G94.2Very high85.9Confident8 Ų870.6 Ų70.68%0.08238%0.381CS..EExtended strand (participates in β ladder)trans-179.1177.9-179.300000116.3L287 Q288 D325G274-L287 WeakPolarHBondContact O-CD1 3.5Å; G274-Q288 PolarHBondContact N-O 3Å; G274-Q288 PolarHBondContact O-N 3.48Å; G274-D325 VanDerWaalsContact C-OD1 3.26Å; G274-D325 WeakPolarHBondContact CA-OD1 3.4Å
275W93.2Very high86.6Confident151 Ų15168 Ų6857%0.57238%0.38SS*.  trans-117.512.1-176.1-60.699.9000112.3P284 L287 D325W275-P284 WeakPolarHBondContact O-CD 3.43Å; W275-L287 HydrophobicContact CD2-CD1 4.06Å; W275-L287 HydrophobicContact CG-CD1 4.27Å; W275-L287 HydrophobicContact CH2-CB 3.85Å; W275-L287 VanDerWaalsContact CH2-N 3.25Å; W275-L287 HydrophobicContact CZ2-CB 3.72Å; W275-L287 HydrophobicContact CZ2-CD1 3.95Å; W275-L287 HydrophobicContact CZ2-CG 4.41Å; W275-L287 HydrophobicContact CZ3-CB 4.34Å; W275-D325 PolarHBondContact N-OD1 3.13Å; W275-D325 VanDerWaalsContact N-OD1 3.12Å
276G92.1Very high87.5Confident4 Ų468.1 Ų68.14%0.04138%0.379CS..PPolyproline II helixtrans-65.1169.8178.500000113L278 P284 K323 D325G276-L278 PolarHBondContact O-N 2.72Å; G276-P284 WeakPolarHBondContact O-CD 3.46Å; G276-P284 WeakPolarHBondContact O-CG 3.41Å; G276-K323 VanDerWaalsContact CA-O 3.25Å; G276-K323 WeakPolarHBondContact CA-O 3.48Å; G276-D325 VanDerWaalsContact CA-OD1 3.27Å; G276-D325 WeakPolarHBondContact CA-OD1 3.23Å; G276-D325 PolarHBondContact N-OD1 2.86Å
277R89Confident88.6Confident119 Ų11966.5 Ų66.545%0.44936%0.362SS..PPolyproline II helixtrans-62.2136.5-175.1-68.4179.8-176.2176.5-3.6111.6R322 K323R277-R322 WeakPolarHBondContact O-CD 3.41Å; R277-K323 PolarHBondContact N-O 2.88Å
278L88Confident89.4Confident56 Ų5661.8 Ų61.829%0.29334%0.34SS..PPolyproline II helixtrans-69.9166.6168.2-60.8175.9000111.1G276 N280 G281 R282 P284 Q288G276-L278 PolarHBondContact O-N 2.72Å; L278-N280 WeakPolarHBondContact CB-OD1 3.43Å; L278-N280 PolarHBondContact O-N 3.12Å; L278-G281 WeakPolarHBondContact O-CA 3.38Å; L278-G281 PolarHBondContact O-N 2.99Å; L278-R282 PolarHBondContact N-O 2.92Å; L278-P284 HydrophobicContact CD1-CB 4.17Å; L278-P284 HydrophobicContact CD2-CB 4.06Å; L278-P284 HydrophobicContact CG-CB 4.05Å; L278-Q288 HydrophobicContact CD2-CG 3.81Å
279A83.3Confident89.9Confident73 Ų7368 Ų6860%0.60337%0.366SS*.THydrogen-bonded Turntrans-53.2-30.3176.800000114.4G281A279-G281 PolarHBondContact O-N 2.84Å
280N87.1Confident89.9Confident109 Ų10966.1 Ų66.158%0.58336%0.357SS*.THydrogen-bonded Turntrans-81.88176.366.217.1000114.3L278 R282L278-N280 WeakPolarHBondContact CB-OD1 3.43Å; L278-N280 PolarHBondContact O-N 3.12Å; N280-R282 VanDerWaalsContact C-N 3.28Å; N280-R282 PolarHBondContact O-N 2.92Å; N280-R282 VanDerWaalsContact OD1-CB 3.25Å; N280-R282 WeakPolarHBondContact OD1-CB 3.44Å; N280-R282 WeakPolarHBondContact OD1-CG 3.48Å; N280-R282 PolarHBondContact OD1-N 3.31Å
281G85.7Confident89.8Confident46 Ų4671.3 Ų71.347%0.47438%0.381SS..SBendtrans78-0.7179.700000115.7L278 A279L278-G281 WeakPolarHBondContact O-CA 3.38Å; L278-G281 PolarHBondContact O-N 2.99Å; A279-G281 PolarHBondContact O-N 2.84Å
282R89.3Confident89.7Confident157 Ų15770.5 Ų70.559%0.59238%0.376SS*.PPolyproline II helixtrans-88.4152.9-179.3-59.1175.464.4146.10.1111.4L278 N280L278-R282 PolarHBondContact N-O 2.92Å; N280-R282 VanDerWaalsContact C-N 3.28Å; N280-R282 PolarHBondContact O-N 2.92Å; N280-R282 VanDerWaalsContact OD1-CB 3.25Å; N280-R282 WeakPolarHBondContact OD1-CB 3.44Å; N280-R282 WeakPolarHBondContact OD1-CG 3.48Å; N280-R282 PolarHBondContact OD1-N 3.31Å
283N86.4Confident89.4Confident122 Ų12272.5 Ų72.565%0.65239%0.387SS*.PPolyproline II helixtrans-76136.4168.9-63.5-13.4000109.8
284P87Confident89.3Confident16 Ų1671.3 Ų71.310%0.10438%0.379CS..PPolyproline II helixtrans-74.3141.5178.832.2-36.4000110.8W275 G276 L278 A286 Q288W275-P284 WeakPolarHBondContact O-CD 3.43Å; G276-P284 WeakPolarHBondContact O-CD 3.46Å; G276-P284 WeakPolarHBondContact O-CG 3.41Å; L278-P284 HydrophobicContact CD1-CB 4.17Å; L278-P284 HydrophobicContact CD2-CB 4.06Å; L278-P284 HydrophobicContact CG-CB 4.05Å; P284-A286 VanDerWaalsContact C-N 3.28Å; P284-A286 WeakPolarHBondContact CB-O 3.37Å; P284-Q288 HydrophobicContact CB-CG 3.85Å; P284-Q288 HydrophobicContact CG-CG 4.01Å
285A80.5Confident89Confident91 Ų9172.7 Ų72.775%0.75238%0.384SS*.SBendtrans-84.1-5172.900000113
286A83.9Confident88.6Confident28 Ų2869 Ų6923%0.23138%0.376CS..SBendtrans-136.8145.2178.900000109.2P284 Q288P284-A286 VanDerWaalsContact C-N 3.28Å; P284-A286 WeakPolarHBondContact CB-O 3.37Å; A286-Q288 PolarHBondContact O-N 3.43Å; A286-Q288 PolarHBondContact O-NE2 3.49Å
287L89.6Confident88.1Confident64 Ų6471.1 Ų71.134%0.33540%0.397SS..  trans-53.4131.9175.3-175.372.2000109.2G274 W275G274-L287 WeakPolarHBondContact O-CD1 3.5Å; W275-L287 HydrophobicContact CD2-CD1 4.06Å; W275-L287 HydrophobicContact CG-CD1 4.27Å; W275-L287 HydrophobicContact CH2-CB 3.85Å; W275-L287 VanDerWaalsContact CH2-N 3.25Å; W275-L287 HydrophobicContact CZ2-CB 3.72Å; W275-L287 HydrophobicContact CZ2-CD1 3.95Å; W275-L287 HydrophobicContact CZ2-CG 4.41Å; W275-L287 HydrophobicContact CZ3-CB 4.34Å
288Q92.5Very high87.9Confident84 Ų8473 Ų7339%0.39341%0.411SS..EExtended strand (participates in β ladder)trans-95.8152.8174.4-58.2-57.4-7300109.7T273 G274 L278 P284 A286T273-Q288 VanDerWaalsContact CA-O 3.23Å; T273-Q288 WeakPolarHBondContact CA-O 3.48Å; T273-Q288 WeakPolarHBondContact CB-O 3.36Å; G274-Q288 PolarHBondContact N-O 3Å; G274-Q288 PolarHBondContact O-N 3.48Å; L278-Q288 HydrophobicContact CD2-CG 3.81Å; P284-Q288 HydrophobicContact CB-CG 3.85Å; P284-Q288 HydrophobicContact CG-CG 4.01Å; A286-Q288 PolarHBondContact O-N 3.43Å; A286-Q288 PolarHBondContact O-NE2 3.49Å
289E93Very high87.9Confident155 Ų15571.1 Ų71.172%0.72440%0.402SS*.EExtended strand (participates in β ladder)trans-136.1148.3174.972-17517000109.8V271 V272 T273V271-E289 HydrophobicContact CG1-CB 3.97Å; V272-E289 CarbonylContact O-C 3.56Å; V272-E289 WeakPolarHBondContact O-CA 3.45Å; T273-E289 HydrophobicContact CG2-CB 3.88Å
290L92.2Very high88.2Confident39 Ų3974.2 Ų74.220%0.20440%0.401CS..EExtended strand (participates in β ladder)trans-145.2124.4176.9174.864.7000109.4V271 V272 V292 T319V271-L290 CarbonylContact C-O 3.49Å; V271-L290 WeakPolarHBondContact CA-O 3.46Å; V272-L290 PolarHBondContact N-O 2.84Å; V272-L290 PolarHBondContact O-N 3.09Å; L290-V292 HydrophobicContact CD2-CG1 3.86Å; L290-V292 HydrophobicContact CG-CG1 3.87Å; L290-T319 HydrophobicContact CD1-CG2 3.41Å; L290-T319 VanDerWaalsContact CD1-CG2 3.41Å; L290-T319 HydrophobicContact CD2-CG2 3.52Å; L290-T319 HydrophobicContact CG-CG2 4.09Å
291Q93Very high88.2Confident109 Ų10970 Ų7051%0.50938%0.38SS..EExtended strand (participates in β ladder)trans-74.6130.4167.7-174.3177-36.900109.8C270 H314C270-Q291 CarbonylContact O-C 3.57Å; C270-Q291 VanDerWaalsContact O-CA 3.31Å; C270-Q291 WeakPolarHBondContact O-CA 3.39Å; Q291-H314 PolarHBondContact O-ND1 2.92Å
292V91.9Very high88.2Confident4 Ų473.5 Ų73.52%0.02440%0.395CS..EExtended strand (participates in β ladder)trans-127.1153.1-176.1-63.20000111.2C270 V272 L290 T312 L330C270-V292 HydrophobicContact CB-CG2 4.21Å; C270-V292 PolarHBondContact O-N 3.04Å; V272-V292 HydrophobicContact CG2-CG1 4Å; V272-V292 HydrophobicContact CG2-CG2 3.81Å; L290-V292 HydrophobicContact CD2-CG1 3.86Å; L290-V292 HydrophobicContact CG-CG1 3.87Å; V292-T312 HydrophobicContact CB-CG2 4.43Å; V292-T312 HydrophobicContact CG2-CG2 3.81Å; V292-L330 HydrophobicContact CG2-CD1 3.6Å
293N90.6Very high88.2Confident53 Ų5370.4 Ų70.428%0.28339%0.386SS..EExtended strand (participates in β ladder)trans-96128.7179.1-63.5-30.1000110T312 G313N293-T312 CarbonylContact O-C 3.56Å; N293-T312 WeakPolarHBondContact O-CA 3.19Å; N293-T312 VanDerWaalsContact O-CB 3.29Å; N293-T312 WeakPolarHBondContact O-CB 3.35Å; N293-G313 PolarHBondContact N-O 2.78Å; N293-G313 PolarHBondContact O-N 2.91Å
294I92Very high88.4Confident9 Ų965.9 Ų65.95%0.04636%0.36CS..EExtended strand (participates in β ladder)trans-71.3132.7173.8-56.8-54.9000110.1L263 C270 N296 V310 T312 L330L263-I294 HydrophobicContact CB-CG2 4.37Å; L263-I294 HydrophobicContact CD1-CD1 3.8Å; L263-I294 HydrophobicContact CD1-CG1 4.06Å; L263-I294 HydrophobicContact CD1-CG2 4.25Å; C270-I294 HydrophobicContact CB-CD1 4.06Å; C270-I294 HydrophobicContact CB-CG1 4.42Å; C270-I294 VanDerWaalsContact SG-CD1 3.56Å; C270-I294 VanDerWaalsContact SG-CG1 3.58Å; I294-N296 WeakPolarHBondContact CG2-OD1 3.39Å; I294-V310 HydrophobicContact CD1-CG1 4.14Å; I294-T312 HydrophobicContact CD1-CG2 3.62Å; I294-L330 HydrophobicContact CD1-CD2 4.15Å
295I89.6Confident88.7Confident37 Ų3769 Ų6919%0.1937%0.373CS..  trans-104.1101.7178.6-52.3-57.7000109.7V299 C311 R358I295-V299 HydrophobicContact CG2-CG2 3.97Å; I295-C311 HydrophobicContact CB-CB 4.26Å; I295-C311 PolarHBondContact N-O 3.06Å; I295-R358 VanDerWaalsContact CG1-NH1 3.32Å
296N82.9Confident89.1Confident75 Ų7570.2 Ų70.240%0.40136%0.362SS..  trans-88.1-13.6177.8-76.7-12.5000114G265 I294 K306G265-N296 WeakPolarHBondContact CA-ND2 3.3Å; G265-N296 PolarHBondContact N-ND2 2.99Å; I294-N296 WeakPolarHBondContact CG2-OD1 3.39Å; N296-K306 PolarHBondContact O-NZ 3.4Å
297G82.1Confident89.5Confident47 Ų4777.9 Ų77.949%0.48539%0.385SS..SBendtrans-73.7-169179.700000114.1
298E85.2Confident89.6Confident159 Ų15975.6 Ų75.674%0.74337%0.372SS*.  trans-67.6130.8171.7-169.1-177.2173.200110
299V89Confident89.7Confident17 Ų1771.8 Ų71.810%0.10336%0.355CS..  trans-112.6113.5177174.60000107.4I295 S301 F304 C311 F348I295-V299 HydrophobicContact CG2-CG2 3.97Å; V299-S301 PolarHBondContact O-N 2.74Å; V299-F304 HydrophobicContact CB-CD1 3.52Å; V299-F304 HydrophobicContact CB-CE1 3.78Å; V299-F304 HydrophobicContact CB-CG 4.08Å; V299-F304 HydrophobicContact CG1-CB 3.98Å; V299-F304 HydrophobicContact CG1-CD1 3.72Å; V299-F304 HydrophobicContact CG1-CD2 4.31Å; V299-F304 HydrophobicContact CG1-CE1 4.26Å; V299-F304 HydrophobicContact CG1-CG 3.72Å; V299-F304 HydrophobicContact CG2-CD1 4.06Å; V299-F304 HydrophobicContact CG2-CE1 3.79Å; V299-F304 HydrophobicContact CG2-CZ 4.25Å; V299-C311 HydrophobicContact CG2-CB 3.78Å; V299-F348 HydrophobicContact CG1-CE2 3.79Å; V299-F348 HydrophobicContact CG1-CZ 3.46Å; V299-F348 VanDerWaalsContact CG1-CZ 3.46Å
300K87.9Confident89.7Confident138 Ų13865 Ų6560%0.632%0.324SS*.  trans-81.381.9-178.7-56.3179.4179-178.40110.9E350K300-E350 HydrophobicContact CB-CG 3.88Å; K300-E350 PolarHBondContact N-OE1 2.81Å; K300-E350 WeakPolarHBondContact O-CG 3.31Å
301S87.6Confident89.8Confident19 Ų1963.3 Ų63.313%0.13332%0.315CS..  trans-146.2130.9170.4170.70000110.1V299 F303 F304V299-S301 PolarHBondContact O-N 2.74Å; S301-F303 PolarHBondContact O-N 2.99Å; S301-F303 PolarHBondContact OG-N 3.46Å; S301-F304 PolarHBondContact O-N 2.85Å
302P86.4Confident89.7Confident121 Ų12158.2 Ų58.279%0.78629%0.291SS*.THydrogen-bonded Turntrans-66-18.4178.128-34.5000112.9
303F88.8Confident89.6Confident92 Ų9258.3 Ų58.340%0.40429%0.293SS..THydrogen-bonded Turntrans-94.6-17.1179.5-53.8-71.1000112.8S301 Q305 F346S301-F303 PolarHBondContact O-N 2.99Å; S301-F303 PolarHBondContact OG-N 3.46Å; F303-Q305 PolarHBondContact O-N 3.48Å; F303-F346 HydrophobicContact CB-CE2 4.33Å; F303-F346 HydrophobicContact CB-CZ 4.01Å
304F91.3Very high89.4Confident26 Ų2658.4 Ų58.411%0.11429%0.292CS..  trans-80.3122.4-177-178.4-99.5000111.5V299 S301 K306 M309 C311 A360V299-F304 HydrophobicContact CB-CD1 3.52Å; V299-F304 HydrophobicContact CB-CE1 3.78Å; V299-F304 HydrophobicContact CB-CG 4.08Å; V299-F304 HydrophobicContact CG1-CB 3.98Å; V299-F304 HydrophobicContact CG1-CD1 3.72Å; V299-F304 HydrophobicContact CG1-CD2 4.31Å; V299-F304 HydrophobicContact CG1-CE1 4.26Å; V299-F304 HydrophobicContact CG1-CG 3.72Å; V299-F304 HydrophobicContact CG2-CD1 4.06Å; V299-F304 HydrophobicContact CG2-CE1 3.79Å; V299-F304 HydrophobicContact CG2-CZ 4.25Å; S301-F304 PolarHBondContact O-N 2.85Å; F304-K306 HydrophobicContact CE1-CB 3.81Å; F304-K306 HydrophobicContact CE1-CG 4.46Å; F304-K306 HydrophobicContact CZ-CB 4.38Å; F304-M309 HydrophobicContact CD2-CB 3.87Å; F304-M309 HydrophobicContact CD2-SD 4.05Å; F304-M309 HydrophobicContact CE2-CB 3.49Å; F304-M309 VanDerWaalsContact CE2-CB 3.49Å; F304-M309 HydrophobicContact CZ-CB 4.24Å; F304-C311 HydrophobicContact CD2-CB 4.27Å; F304-C311 HydrophobicContact CE1-CB 4.48Å; F304-C311 HydrophobicContact CE2-CB 3.54Å; F304-C311 HydrophobicContact CZ-CB 3.66Å; F304-A360 HydrophobicContact CD2-CB 4.32Å
305Q91.8Very high88.9Confident81 Ų8165 Ų6538%0.37933%0.327SS..  trans-119.9100176.8-67.8-178.671.500110.2F303 R307 H308 M309F303-Q305 PolarHBondContact O-N 3.48Å; Q305-R307 PolarHBondContact O-N 3.26Å; Q305-H308 WeakPolarHBondContact CB-CE1 3.34Å; Q305-H308 PolarHBondContact NE2-CE1 3.49Å; Q305-H308 PolarHBondContact O-N 2.85Å; Q305-H308 VanDerWaalsContact O-N 3.07Å; Q305-H308 PolarHBondContact OE1-CE1 3.34Å; Q305-H308 VanDerWaalsContact OE1-CE1 3.22Å; Q305-M309 PolarHBondContact N-SD 3.32Å; Q305-M309 VanDerWaalsContact N-SD 3.43Å; Q305-M309 WeakPolarHBondContact O-CB 3.44Å; Q305-M309 PolarHBondContact O-N 2.82Å
306K90.3Very high88.4Confident118 Ų11869.5 Ų69.551%0.51335%0.348SS..THydrogen-bonded Turntrans-51.5-26.1-177.4-173.4172175.7176.30114N296 F304 K363N296-K306 PolarHBondContact O-NZ 3.4Å; F304-K306 HydrophobicContact CE1-CB 3.81Å; F304-K306 HydrophobicContact CE1-CG 4.46Å; F304-K306 HydrophobicContact CZ-CB 4.38Å; K306-K363 PolarHBondContact O-NZ 3.46Å
307R91.2Very high88Confident189 Ų18971 Ų7171%0.71335%0.354SS*.THydrogen-bonded Turntrans-58.2-50.1177.4-176173.7176169.2-0.3112.2Q305 K363 F366Q305-R307 PolarHBondContact O-N 3.26Å; R307-K363 PolarHBondContact O-NZ 3.43Å; R307-K363 VanDerWaalsContact O-NZ 3.11Å; R307-F366 HydrophobicContact CG-CD2 4.4Å; R307-F366 HydrophobicContact CG-CE2 3.98Å
308H92.5Very high87.6Confident15 Ų1572.1 Ų72.17%0.06935%0.349CS..THydrogen-bonded Turntrans-121.910-172.259.4-101.8000113.8A233 Q305 K363 F366 Y367A233-H308 WeakPolarHBondContact CB-NE2 3.49Å; Q305-H308 WeakPolarHBondContact CB-CE1 3.34Å; Q305-H308 PolarHBondContact NE2-CE1 3.49Å; Q305-H308 PolarHBondContact O-N 2.85Å; Q305-H308 VanDerWaalsContact O-N 3.07Å; Q305-H308 PolarHBondContact OE1-CE1 3.34Å; Q305-H308 VanDerWaalsContact OE1-CE1 3.22Å; H308-K363 VanDerWaalsContact C-CB 3.43Å; H308-K363 VanDerWaalsContact O-CB 3.26Å; H308-K363 WeakPolarHBondContact O-CB 3.4Å; H308-K363 PolarHBondContact O-N 3.42Å; H308-F366 HydrophobicContact CB-CD1 3.49Å; H308-F366 VanDerWaalsContact CB-CD1 3.49Å; H308-F366 HydrophobicContact CB-CE1 3.72Å; H308-F366 HydrophobicContact CB-CG 3.94Å; H308-F366 HydrophobicContact CB-CZ 4.34Å; H308-Y367 HydrophobicContact CB-CE2 4Å
309M94.5Very high87.3Confident5 Ų566.2 Ų66.23%0.02532%0.324CS..EExtended strand (participates in β ladder)trans-124.8152.4175-59.8178.117800111.5H232 F304 Q305 F346 F361 K363H232-M309 HydrophobicContact CB-CE 4.27Å; H232-M309 WeakPolarHBondContact O-CE 2.9Å; F304-M309 HydrophobicContact CD2-CB 3.87Å; F304-M309 HydrophobicContact CD2-SD 4.05Å; F304-M309 HydrophobicContact CE2-CB 3.49Å; F304-M309 VanDerWaalsContact CE2-CB 3.49Å; F304-M309 HydrophobicContact CZ-CB 4.24Å; Q305-M309 PolarHBondContact N-SD 3.32Å; Q305-M309 VanDerWaalsContact N-SD 3.43Å; Q305-M309 WeakPolarHBondContact O-CB 3.44Å; Q305-M309 PolarHBondContact O-N 2.82Å; M309-F346 HydrophobicContact CE-CE1 3.96Å; M309-F346 HydrophobicContact CE-CZ 4.5Å; M309-F346 HydrophobicContact SD-CE1 4Å; M309-F346 HydrophobicContact SD-CZ 4.14Å; M309-F361 CarbonylContact C-O 3.57Å; M309-F361 WeakPolarHBondContact CA-O 3.47Å; M309-K363 VanDerWaalsContact O-CE 3.24Å; M309-K363 WeakPolarHBondContact O-CE 3.35Å
310V93.6Very high87Confident13 Ų1367 Ų678%0.07934%0.335CS..EExtended strand (participates in β ladder)trans-111.7139.1167.2179.10000107.4L263 I294 L330 A360 F361 K363L263-V310 HydrophobicContact CD1-CG1 3.85Å; L263-V310 HydrophobicContact CD1-CG2 4.33Å; I294-V310 HydrophobicContact CD1-CG1 4.14Å; V310-L330 HydrophobicContact CG1-CD2 3.93Å; V310-A360 CarbonylContact O-C 3.54Å; V310-A360 WeakPolarHBondContact O-CA 3.43Å; V310-F361 HydrophobicContact CB-CB 4.33Å; V310-F361 PolarHBondContact N-O 2.8Å; V310-F361 PolarHBondContact O-N 2.56Å; V310-K363 HydrophobicContact CG2-CB 3.93Å; V310-K363 HydrophobicContact CG2-CD 4.48Å; V310-K363 HydrophobicContact CG2-CG 3.82Å
311C93.2Very high86.8Confident2 Ų261.4 Ų61.41%0.01432%0.315CS..EExtended strand (participates in β ladder)trans-113.3136.9175.9-171.50000109.3I295 V299 F304 Q359I295-C311 HydrophobicContact CB-CB 4.26Å; I295-C311 PolarHBondContact N-O 3.06Å; V299-C311 HydrophobicContact CG2-CB 3.78Å; F304-C311 HydrophobicContact CD2-CB 4.27Å; F304-C311 HydrophobicContact CE1-CB 4.48Å; F304-C311 HydrophobicContact CE2-CB 3.54Å; F304-C311 HydrophobicContact CZ-CB 3.66Å; C311-Q359 CarbonylContact C-O 3.57Å; C311-Q359 WeakPolarHBondContact CA-O 3.35Å
312T92.3Very high86.7Confident3 Ų364 Ų642%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-124.6160169.776.50000111.2V292 N293 I294 L330 R358 Q359 F361V292-T312 HydrophobicContact CB-CG2 4.43Å; V292-T312 HydrophobicContact CG2-CG2 3.81Å; N293-T312 CarbonylContact O-C 3.56Å; N293-T312 WeakPolarHBondContact O-CA 3.19Å; N293-T312 VanDerWaalsContact O-CB 3.29Å; N293-T312 WeakPolarHBondContact O-CB 3.35Å; I294-T312 HydrophobicContact CD1-CG2 3.62Å; T312-L330 HydrophobicContact CG2-CD1 4.17Å; T312-L330 HydrophobicContact CG2-CD2 3.99Å; T312-R358 WeakPolarHBondContact O-CA 3.08Å; T312-Q359 PolarHBondContact N-O 3.07Å; T312-Q359 PolarHBondContact O-N 3.19Å; T312-F361 HydrophobicContact CG2-CD2 4.05Å; T312-F361 HydrophobicContact CG2-CE2 3.5Å; T312-F361 VanDerWaalsContact CG2-CE2 3.5Å; T312-F361 HydrophobicContact CG2-CZ 4.24Å; T312-F361 VanDerWaalsContact OG1-CE2 3.26Å; T312-F361 WeakPolarHBondContact OG1-CE2 3.33Å
313G89.4Confident86.7Confident6 Ų665.5 Ų65.56%0.06232%0.316CS..EExtended strand (participates in β ladder)trans-140.3172.5168.900000110.6N293N293-G313 PolarHBondContact N-O 2.78Å; N293-G313 PolarHBondContact O-N 2.91Å
314H86.1Confident86.8Confident54 Ų5463.7 Ų63.725%0.2532%0.323CS..  trans-140150.1174.4-165.181000108.6Q291 E316 T319Q291-H314 PolarHBondContact O-ND1 2.92Å; H314-E316 PolarHBondContact CD2-N 3.34Å; H314-E316 VanDerWaalsContact CD2-N 3.29Å; H314-T319 HydrophobicContact CB-CG2 4.25Å; H314-T319 WeakPolarHBondContact CD2-CG2 3.13Å
315D80.8Confident86.9Confident149 Ų14963.3 Ų63.380%0.79732%0.322SS*.SBendtrans-78.7-25.8-174.1-63.2-29.7000112.1
316E80.1Confident87.1Confident131 Ų13163.6 Ų63.661%0.61233%0.333SS*.SBendtrans-79.5139.7171.6-52.7-177.5165.600111.8H314 T319H314-E316 PolarHBondContact CD2-N 3.34Å; H314-E316 VanDerWaalsContact CD2-N 3.29Å; E316-T319 WeakPolarHBondContact O-CB 3.38Å
317I73.4Confident87.4Confident105 Ų10560.6 Ų60.654%0.53834%0.336SS..THydrogen-bonded Turntrans-71.1147.6178.1-58.3160.8000110.2T319 L355I317-T319 PolarHBondContact O-N 3.19Å; I317-T319 PolarHBondContact O-OG1 2.57Å; I317-L355 HydrophobicContact CD1-CD2 3.62Å; I317-L355 HydrophobicContact CG1-CD2 4.11Å
318D74.9Confident87.6Confident72 Ų7252.2 Ų52.239%0.38531%0.308SS..THydrogen-bonded Turntrans60.625.7177.9-167.336.8000112.3R322 E357D318-R322 VanDerWaalsContact CG-CZ 3.43Å; D318-R322 PolarHBondContact O-NH2 2.78Å; D318-R322 IonicContact OD1-CZ 3.13Å; D318-R322 IonicContact OD1-NE 2.7Å; D318-R322 IonicContact OD1-NH1 2.64Å; D318-R322 PolarHBondContact OD1-NH1 2.89Å; D318-R322 IonicContact OD1-NH2 2.8Å; D318-R322 PolarHBondContact OD1-NH2 3.43Å; D318-R322 IonicContact OD2-CZ 2.73Å; D318-R322 VanDerWaalsContact OD2-CZ 3.31Å; D318-R322 IonicContact OD2-NH1 3.74Å; D318-R322 PolarHBondContact OD2-NH1 2.89Å; D318-R322 VanDerWaalsContact OD2-NH1 3.13Å; D318-R322 IonicContact OD2-NH2 2.74Å; D318-R322 PolarHBondContact OD2-NH2 3.16Å; D318-E357 WeakPolarHBondContact CA-OE2 3.18Å
319T79.2Confident87.9Confident35 Ų3553.5 Ų53.522%0.21532%0.318CS..  trans-114.8107.3-178.2-62.60000110.1L290 H314 E316 I317L290-T319 HydrophobicContact CD1-CG2 3.41Å; L290-T319 VanDerWaalsContact CD1-CG2 3.41Å; L290-T319 HydrophobicContact CD2-CG2 3.52Å; L290-T319 HydrophobicContact CG-CG2 4.09Å; H314-T319 HydrophobicContact CB-CG2 4.25Å; H314-T319 WeakPolarHBondContact CD2-CG2 3.13Å; E316-T319 WeakPolarHBondContact O-CB 3.38Å; I317-T319 PolarHBondContact O-N 3.19Å; I317-T319 PolarHBondContact O-OG1 2.57Å
320G82.1Confident88Confident32 Ų3253.3 Ų53.333%0.3332%0.317SS..SBendtrans175.1-179.6-176.600000112.2
321A83.9Confident88.1Confident21 Ų2153.3 Ų53.317%0.17432%0.318CS..  trans-66.7136.6173.500000110.2V272 D325 V344 Q359V272-A321 HydrophobicContact CG1-CB 4.4Å; A321-D325 HydrophobicContact CB-CB 3.86Å; A321-V344 HydrophobicContact CB-CG1 3.75Å; A321-V344 HydrophobicContact CB-CG2 4.25Å; A321-Q359 HydrophobicContact CB-CG 4.23Å
322R85.7Confident88.2Confident73 Ų7353.2 Ų53.228%0.27532%0.318SS..  trans-121-174.9-178.8-59.1-158-164.5-166.514.3111.4R277 D318 G324 D325R277-R322 WeakPolarHBondContact O-CD 3.41Å; D318-R322 VanDerWaalsContact CG-CZ 3.43Å; D318-R322 PolarHBondContact O-NH2 2.78Å; D318-R322 IonicContact OD1-CZ 3.13Å; D318-R322 IonicContact OD1-NE 2.7Å; D318-R322 IonicContact OD1-NH1 2.64Å; D318-R322 PolarHBondContact OD1-NH1 2.89Å; D318-R322 IonicContact OD1-NH2 2.8Å; D318-R322 PolarHBondContact OD1-NH2 3.43Å; D318-R322 IonicContact OD2-CZ 2.73Å; D318-R322 VanDerWaalsContact OD2-CZ 3.31Å; D318-R322 IonicContact OD2-NH1 3.74Å; D318-R322 PolarHBondContact OD2-NH1 2.89Å; D318-R322 VanDerWaalsContact OD2-NH1 3.13Å; D318-R322 IonicContact OD2-NH2 2.74Å; D318-R322 PolarHBondContact OD2-NH2 3.16Å; R322-G324 PolarHBondContact O-N 2.65Å; R322-G324 VanDerWaalsContact O-N 3.09Å; R322-D325 PolarHBondContact N-OD2 2.89Å; R322-D325 WeakPolarHBondContact O-CB 3.32Å; R322-D325 PolarHBondContact O-N 2.89Å
323K86Confident88.3Confident154 Ų15456 Ų5667%0.6733%0.332SS*.THydrogen-bonded Turntrans-55.3119.3176-174.3171.2-174.9168.30110.4G276 R277G276-K323 VanDerWaalsContact CA-O 3.25Å; G276-K323 WeakPolarHBondContact CA-O 3.48Å; R277-K323 PolarHBondContact N-O 2.88Å
324G90.4Very high88.4Confident54 Ų5458.6 Ų58.656%0.55734%0.342SS*.THydrogen-bonded Turntrans105.4-9.5-176.700000114.2R322R322-G324 PolarHBondContact O-N 2.65Å; R322-G324 VanDerWaalsContact O-N 3.09Å
325D94.6Very high88.5Confident18 Ų1862.8 Ų62.810%0.09637%0.366CS..  trans-91.3-11.5171.7-61.2-47.4000113.1G274 W275 G276 A321 R322 G327 G328 V344G274-D325 VanDerWaalsContact C-OD1 3.26Å; G274-D325 WeakPolarHBondContact CA-OD1 3.4Å; W275-D325 PolarHBondContact N-OD1 3.13Å; W275-D325 VanDerWaalsContact N-OD1 3.12Å; G276-D325 VanDerWaalsContact CA-OD1 3.27Å; G276-D325 WeakPolarHBondContact CA-OD1 3.23Å; G276-D325 PolarHBondContact N-OD1 2.86Å; A321-D325 HydrophobicContact CB-CB 3.86Å; R322-D325 PolarHBondContact N-OD2 2.89Å; R322-D325 WeakPolarHBondContact O-CB 3.32Å; R322-D325 PolarHBondContact O-N 2.89Å; D325-G327 PolarHBondContact O-N 3.03Å; D325-G328 WeakPolarHBondContact O-CA 3.33Å; D325-G328 PolarHBondContact O-N 3.32Å; D325-V344 HydrophobicContact CB-CG1 4.48Å; D325-V344 VanDerWaalsContact O-CB 3.31Å; D325-V344 WeakPolarHBondContact O-CB 3.26Å
326S95.1Very high89Confident86 Ų8663.1 Ų63.160%0.60137%0.368SS*.THydrogen-bonded Turntrans-53.1133.5176.3-59.70000111.7G328S326-G328 PolarHBondContact O-N 3.49Å
327G96.1Very high89.6Confident56 Ų5660.2 Ų60.258%0.57736%0.359SS*.THydrogen-bonded Turntrans82.2-6.6-171.600000114.5D325 V344D325-G327 PolarHBondContact O-N 3.03Å; G327-V344 PolarHBondContact N-O 3.43Å
328G96.5Very high90.6Very high12 Ų1259.7 Ų59.712%0.12435%0.353CS..  trans-70.2161.2176.300000113.3D325 S326 V343 V344D325-G328 WeakPolarHBondContact O-CA 3.33Å; D325-G328 PolarHBondContact O-N 3.32Å; S326-G328 PolarHBondContact O-N 3.49Å; G328-V343 WeakPolarHBondContact O-CA 3.35Å; G328-V344 WeakPolarHBondContact O-CG2 3.26Å; G328-V344 PolarHBondContact O-N 3.4Å
329P97.6Very high91.6Very high43 Ų4356.8 Ų56.828%0.27934%0.338SS..EExtended strand (participates in β ladder)trans-84.2139.7-17533.5-35.2000112.9V272 T273 L340V272-P329 WeakPolarHBondContact CA-O 3.2Å; T273-P329 WeakPolarHBondContact OG1-CG 3.42Å; P329-L340 HydrophobicContact CB-CD1 3.39Å
330L96.7Very high92.5Very high0 Ų056.5 Ų56.50%034%0.335CS..EExtended strand (participates in β ladder)trans-96.4101.5154177.668.4000108C270 V272 V292 I294 V310 T312 Y341 G342 F361C270-L330 HydrophobicContact CB-CD1 4.05Å; V272-L330 HydrophobicContact CG2-CD1 3.6Å; V292-L330 HydrophobicContact CG2-CD1 3.6Å; I294-L330 HydrophobicContact CD1-CD2 4.15Å; V310-L330 HydrophobicContact CG1-CD2 3.93Å; T312-L330 HydrophobicContact CG2-CD1 4.17Å; T312-L330 HydrophobicContact CG2-CD2 3.99Å; L330-Y341 PolarHBondContact O-N 2.7Å; L330-G342 PolarHBondContact N-O 3.18Å; L330-G342 PolarHBondContact O-N 2.96Å; L330-F361 HydrophobicContact CB-CD1 3.61Å; L330-F361 HydrophobicContact CB-CE1 3.67Å; L330-F361 HydrophobicContact CB-CG 4.27Å; L330-F361 HydrophobicContact CB-CZ 4.39Å; L330-F361 HydrophobicContact CD1-CE1 4.25Å; L330-F361 HydrophobicContact CD1-CZ 4.17Å; L330-F361 HydrophobicContact CD2-CD1 4.14Å; L330-F361 HydrophobicContact CD2-CD2 4Å; L330-F361 HydrophobicContact CD2-CE1 4.35Å; L330-F361 HydrophobicContact CD2-CE2 4.25Å; L330-F361 HydrophobicContact CD2-CG 3.97Å; L330-F361 HydrophobicContact CD2-CZ 4.42Å; L330-F361 HydrophobicContact CG-CD1 4.39Å; L330-F361 HydrophobicContact CG-CE1 4.31Å
331A96.7Very high93.2Very high13 Ų1355.5 Ų55.511%0.10732%0.321CS..EExtended strand (participates in β ladder)trans-97.7123.6-179.300000109.8I254 C270 V271 F338 V339I254-A331 HydrophobicContact CD1-CB 3.57Å; C270-A331 CarbonylContact C-O 3.59Å; C270-A331 WeakPolarHBondContact CA-O 3.4Å; V271-A331 PolarHBondContact N-O 3.02Å; V271-A331 PolarHBondContact O-N 3.01Å; A331-F338 HydrophobicContact CB-CB 4.34Å; A331-F338 HydrophobicContact CB-CD1 3.84Å; A331-F338 HydrophobicContact CB-CG 4.38Å; A331-V339 WeakPolarHBondContact CA-O 3.4Å
332C95.8Very high93.8Very high1 Ų154.5 Ų54.51%0.00731%0.313CS..EExtended strand (participates in β ladder)trans-116.2141.1176.4-58.40000110.9L263 I269 C270 K334 F338 V339 Y341L263-C332 HydrophobicContact CD2-CB 3.98Å; I269-C332 CarbonylContact O-C 3.57Å; I269-C332 WeakPolarHBondContact O-CA 3.32Å; C270-C332 HydrophobicContact CB-CB 4.13Å; C270-C332 WeakPolarHBondContact CB-SG 3.39Å; C270-C332 WeakPolarHBondContact SG-CB 3.17Å; C270-C332 CovalentContact SG-SG 2.05Å; C270-C332 PolarHBondContact SG-SG 3.03Å; C332-K334 PolarHBondContact O-N 2.83Å; C332-F338 WeakPolarHBondContact O-CA 3.4Å; C332-V339 PolarHBondContact N-O 3.13Å; C332-V339 PolarHBondContact O-N 2.89Å; C332-Y341 HydrophobicContact CB-CD2 3.62Å; C332-Y341 HydrophobicContact CB-CE2 3.86Å
333L93.6Very high94.3Very high61 Ų6152.2 Ų52.232%0.31931%0.307SS..EExtended strand (participates in β ladder)trans-77.3120.3179.8-168.368.7000110.2I269 F338I269-L333 HydrophobicContact CB-CB 4.2Å; I269-L333 HydrophobicContact CD1-CD2 4.26Å; I269-L333 PolarHBondContact O-N 3.13Å; L333-F338 HydrophobicContact CB-CD1 4.47Å; L333-F338 HydrophobicContact CB-CE1 4.2Å; L333-F338 HydrophobicContact CD1-CD2 4.32Å; L333-F338 HydrophobicContact CD1-CE1 4.46Å; L333-F338 HydrophobicContact CD1-CE2 4.23Å; L333-F338 HydrophobicContact CD1-CG 4.49Å; L333-F338 HydrophobicContact CD1-CZ 4.3Å
334K90.8Very high94.8Very high61 Ų6145.1 Ų45.127%0.26528%0.276SS..EExtended strand (participates in β ladder)trans-132.1121.8174.9176.1-179176.1-175.90108.5D258 E261 C332 D336 T337 V339 Y341D258-K334 IonicContact OD2-NZ 3.94Å; E261-K334 WeakPolarHBondContact OE1-CD 3.01Å; E261-K334 WeakPolarHBondContact OE1-CE 3.39Å; E261-K334 IonicContact OE1-NZ 3.14Å; E261-K334 PolarHBondContact OE1-NZ 2.83Å; E261-K334 IonicContact OE2-NZ 3.15Å; E261-K334 PolarHBondContact OE2-NZ 3.07Å; C332-K334 PolarHBondContact O-N 2.83Å; K334-D336 VanDerWaalsContact C-N 3.33Å; K334-D336 PolarHBondContact O-N 3.23Å; K334-T337 PolarHBondContact N-O 3.33Å; K334-T337 PolarHBondContact O-N 2.98Å; K334-V339 HydrophobicContact CB-CG2 4.03Å; K334-V339 HydrophobicContact CD-CG2 4.35Å; K334-Y341 WeakPolarHBondContact CD-OH 3.39Å
335N89.6Confident95.1Very high142 Ų14243.1 Ų43.176%0.75925%0.254SS*.THydrogen-bonded Turntrans4853.2-180-57.5-24.9000112.3T337N335-T337 PolarHBondContact O-N 2.86Å
336D90.1Very high95Very high155 Ų15543.8 Ų43.883%0.82926%0.256SS*.THydrogen-bonded Turntrans60.413.2-178.2-56.4-43.4000116K334K334-D336 VanDerWaalsContact C-N 3.33Å; K334-D336 PolarHBondContact O-N 3.23Å
337T92.4Very high94.7Very high70 Ų7042.1 Ų42.143%0.42925%0.253SS..EExtended strand (participates in β ladder)trans-127.1139.2178.3-55.30000111.5K334 N335K334-T337 PolarHBondContact N-O 3.33Å; K334-T337 PolarHBondContact O-N 2.98Å; N335-T337 PolarHBondContact O-N 2.86Å
338F95.3Very high94.4Very high95 Ų9541 Ų4142%0.41723%0.232SC..EExtended strand (participates in β ladder)trans-77.8131.5174.9-79.1-74.7000112I254 C255 V271 A331 C332 L333I254-F338 HydrophobicContact CD1-CB 4.39Å; I254-F338 WeakPolarHBondContact CG1-O 3.25Å; C255-F338 PolarHBondContact N-O 2.79Å; V271-F338 HydrophobicContact CG2-CE1 4.39Å; A331-F338 HydrophobicContact CB-CB 4.34Å; A331-F338 HydrophobicContact CB-CD1 3.84Å; A331-F338 HydrophobicContact CB-CG 4.38Å; C332-F338 WeakPolarHBondContact O-CA 3.4Å; L333-F338 HydrophobicContact CB-CD1 4.47Å; L333-F338 HydrophobicContact CB-CE1 4.2Å; L333-F338 HydrophobicContact CD1-CD2 4.32Å; L333-F338 HydrophobicContact CD1-CE1 4.46Å; L333-F338 HydrophobicContact CD1-CE2 4.23Å; L333-F338 HydrophobicContact CD1-CG 4.49Å; L333-F338 HydrophobicContact CD1-CZ 4.3Å
339V96.5Very high93.9Very high10 Ų1044 Ų446%0.06125%0.248CC..EExtended strand (participates in β ladder)trans-121.8139.7179.5178.80000109.6C255 P257 A331 C332 K334 Y341C255-V339 HydrophobicContact CB-CG2 4Å; C255-V339 CarbonylContact O-C 3.58Å; C255-V339 WeakPolarHBondContact O-CA 3.42Å; P257-V339 HydrophobicContact CB-CG1 3.78Å; P257-V339 HydrophobicContact CG-CG1 4.39Å; A331-V339 WeakPolarHBondContact CA-O 3.4Å; C332-V339 PolarHBondContact N-O 3.13Å; C332-V339 PolarHBondContact O-N 2.89Å; K334-V339 HydrophobicContact CB-CG2 4.03Å; K334-V339 HydrophobicContact CD-CG2 4.35Å; V339-Y341 HydrophobicContact CB-CD2 4.08Å; V339-Y341 HydrophobicContact CB-CE2 3.62Å; V339-Y341 HydrophobicContact CG1-CD2 3.99Å; V339-Y341 HydrophobicContact CG1-CE2 3.62Å; V339-Y341 WeakPolarHBondContact O-CD2 3.35Å; V339-Y341 PolarHBondContact O-N 3.01Å
340L97.3Very high93.3Very high29 Ų2942.6 Ų42.615%0.15224%0.238CC..EExtended strand (participates in β ladder)trans-83.697.9-178.1-176.867.5000111.3I254 C255 L256 P257 P329 G342 V364I254-L340 HydrophobicContact CD1-CB 3.9Å; I254-L340 HydrophobicContact CD1-CD1 4.35Å; I254-L340 HydrophobicContact CG1-CB 4.09Å; I254-L340 HydrophobicContact CG2-CB 3.8Å; I254-L340 HydrophobicContact CG2-CD2 4.15Å; I254-L340 HydrophobicContact CG2-CG 4.38Å; C255-L340 PolarHBondContact O-N 2.95Å; L256-L340 HydrophobicContact CD2-CD2 4.32Å; P257-L340 WeakPolarHBondContact CD-O 2.94Å; P329-L340 HydrophobicContact CB-CD1 3.39Å; L340-G342 WeakPolarHBondContact CD1-O 3.46Å; L340-V364 HydrophobicContact CD2-CG2 4.36Å; L340-V364 HydrophobicContact CG-CG2 4.14Å; L340-V364 WeakPolarHBondContact O-CB 3.25Å; L340-V364 WeakPolarHBondContact O-CG1 3.47Å
341Y96.1Very high92.5Very high11 Ų1145.1 Ų45.14%0.04325%0.251CS..EExtended strand (participates in β ladder)trans-93.8-22.5179.8-77.2-90.3000114.3P257 E261 L263 L330 C332 K334 V339 V364P257-Y341 HydrophobicContact CB-CD1 4.14Å; P257-Y341 HydrophobicContact CB-CE1 3.85Å; E261-Y341 HydrophobicContact CG-CE1 4.27Å; E261-Y341 PolarHBondContact OE1-OH 2.69Å; L263-Y341 HydrophobicContact CD1-CD1 4.15Å; L263-Y341 HydrophobicContact CD1-CG 4.06Å; L263-Y341 HydrophobicContact CD2-CD1 3.47Å; L263-Y341 VanDerWaalsContact CD2-CD1 3.47Å; L263-Y341 HydrophobicContact CD2-CD2 3.52Å; L263-Y341 HydrophobicContact CD2-CE1 3.59Å; L263-Y341 HydrophobicContact CD2-CE2 3.59Å; L263-Y341 HydrophobicContact CD2-CG 3.42Å; L263-Y341 VanDerWaalsContact CD2-CG 3.42Å; L263-Y341 HydrophobicContact CG-CD1 3.51Å; L263-Y341 HydrophobicContact CG-CD2 4.39Å; L263-Y341 HydrophobicContact CG-CE1 3.88Å; L263-Y341 HydrophobicContact CG-CG 3.78Å; L330-Y341 PolarHBondContact O-N 2.7Å; C332-Y341 HydrophobicContact CB-CD2 3.62Å; C332-Y341 HydrophobicContact CB-CE2 3.86Å; K334-Y341 WeakPolarHBondContact CD-OH 3.39Å; V339-Y341 HydrophobicContact CB-CD2 4.08Å; V339-Y341 HydrophobicContact CB-CE2 3.62Å; V339-Y341 HydrophobicContact CG1-CD2 3.99Å; V339-Y341 HydrophobicContact CG1-CE2 3.62Å; V339-Y341 WeakPolarHBondContact O-CD2 3.35Å; V339-Y341 PolarHBondContact O-N 3.01Å; Y341-V364 PolarHBondContact O-N 3.23Å
342G96.3Very high91.4Very high0 Ų051.6 Ų51.60%029%0.294CS..EExtended strand (participates in β ladder)trans-142.3151.6-175.600000113.4L330 L340 T362L330-G342 PolarHBondContact N-O 3.18Å; L330-G342 PolarHBondContact O-N 2.96Å; L340-G342 WeakPolarHBondContact CD1-O 3.46Å; G342-T362 VanDerWaalsContact CA-O 3.32Å; G342-T362 WeakPolarHBondContact CA-O 3.32Å
343V97.8Very high90.1Very high25 Ų2554.9 Ų54.915%0.15232%0.317CS..EExtended strand (participates in β ladder)trans-113.3125.8166.2179.80000107.7G328 S345 F361 T362 V364G328-V343 WeakPolarHBondContact O-CA 3.35Å; V343-S345 PolarHBondContact O-N 3.39Å; V343-F361 CarbonylContact O-C 3.55Å; V343-F361 WeakPolarHBondContact O-CA 3.29Å; V343-F361 WeakPolarHBondContact O-CB 3.49Å; V343-T362 PolarHBondContact N-O 2.83Å; V343-T362 VanDerWaalsContact N-O 3.13Å; V343-T362 PolarHBondContact O-N 2.98Å; V343-V364 HydrophobicContact CG2-CG2 3.89Å
344V96.8Very high89Confident5 Ų553.5 Ų53.53%0.0332%0.317CS..EExtended strand (participates in β ladder)trans-56.3121.6-178.7175.60000109.7V272 A321 D325 G327 G328 F361V272-V344 HydrophobicContact CG1-CG2 3.89Å; A321-V344 HydrophobicContact CB-CG1 3.75Å; A321-V344 HydrophobicContact CB-CG2 4.25Å; D325-V344 HydrophobicContact CB-CG1 4.48Å; D325-V344 VanDerWaalsContact O-CB 3.31Å; D325-V344 WeakPolarHBondContact O-CB 3.26Å; G327-V344 PolarHBondContact N-O 3.43Å; G328-V344 WeakPolarHBondContact O-CG2 3.26Å; G328-V344 PolarHBondContact O-N 3.4Å; V344-F361 HydrophobicContact CB-CD1 4.36Å; V344-F361 HydrophobicContact CB-CE1 4.31Å; V344-F361 HydrophobicContact CG2-CD1 3.94Å; V344-F361 HydrophobicContact CG2-CE1 3.5Å; V344-F361 VanDerWaalsContact CG2-CE1 3.5Å; V344-F361 HydrophobicContact CG2-CZ 4.5Å
345S95.1Very high88.2Confident13 Ų1355.5 Ų55.59%0.09133%0.331CS..EExtended strand (participates in β ladder)trans-113.6-85.5-179.6178.70000110.5D235 V343 A360D235-S345 VanDerWaalsContact OD2-CB 3.3Å; D235-S345 WeakPolarHBondContact OD2-CB 3.37Å; D235-S345 PolarHBondContact OD2-OG 2.74Å; V343-S345 PolarHBondContact O-N 3.39Å; S345-A360 PolarHBondContact N-O 3.44Å; S345-A360 VanDerWaalsContact N-O 3.16Å
346F92.7Very high87.8Confident32 Ų3252.6 Ų52.614%0.1431%0.309CS..EExtended strand (participates in β ladder)trans-133.5144.9-176.867-91.1000113.3H232 F303 M309 F348 Q359 A360H232-F346 HydrophobicContact CB-CD1 3.91Å; H232-F346 HydrophobicContact CB-CE1 3.79Å; F303-F346 HydrophobicContact CB-CE2 4.33Å; F303-F346 HydrophobicContact CB-CZ 4.01Å; M309-F346 HydrophobicContact CE-CE1 3.96Å; M309-F346 HydrophobicContact CE-CZ 4.5Å; M309-F346 HydrophobicContact SD-CE1 4Å; M309-F346 HydrophobicContact SD-CZ 4.14Å; F346-F348 AromaticContact CD2-CD1 3.82Å; F346-F348 HydrophobicContact CD2-CD1 3.82Å; F346-F348 AromaticContact CE2-CD1 3.52Å; F346-F348 HydrophobicContact CE2-CD1 3.52Å; F346-F348 AromaticContact CE2-CE1 3.99Å; F346-F348 HydrophobicContact CE2-CE1 3.99Å; F346-F348 HydrophobicContact CE2-CG 4.34Å; F346-Q359 PolarHBondContact O-NE2 3.06Å; F346-A360 HydrophobicContact CD1-CB 4.01Å; F346-A360 HydrophobicContact CD2-CB 4.1Å; F346-A360 HydrophobicContact CE1-CB 3.64Å; F346-A360 HydrophobicContact CE2-CB 3.74Å; F346-A360 HydrophobicContact CG-CB 4.22Å; F346-A360 HydrophobicContact CZ-CB 3.5Å; F346-A360 VanDerWaalsContact CZ-CB 3.5Å; F346-A360 PolarHBondContact N-O 3.36Å; F346-A360 WeakPolarHBondContact O-CB 3.35Å; F346-A360 PolarHBondContact O-N 3.41Å
347G90.2Very high87.6Confident51 Ų5148.6 Ų48.653%0.52629%0.285SS..EExtended strand (participates in β ladder)trans-94.5154169.700000111.3R358G347-R358 CarbonylContact C-O 3.33Å; G347-R358 VanDerWaalsContact CA-O 3.32Å; G347-R358 WeakPolarHBondContact CA-O 3.44Å
348F89.5Confident87.5Confident32 Ų3247.1 Ų47.114%0.1427%0.272CS..EExtended strand (participates in β ladder)trans-154.6156.5176.160.5-80.6000111.3V299 F346 E350 R358 A360V299-F348 HydrophobicContact CG1-CE2 3.79Å; V299-F348 HydrophobicContact CG1-CZ 3.46Å; V299-F348 VanDerWaalsContact CG1-CZ 3.46Å; F346-F348 AromaticContact CD2-CD1 3.82Å; F346-F348 HydrophobicContact CD2-CD1 3.82Å; F346-F348 AromaticContact CE2-CD1 3.52Å; F346-F348 HydrophobicContact CE2-CD1 3.52Å; F346-F348 AromaticContact CE2-CE1 3.99Å; F346-F348 HydrophobicContact CE2-CE1 3.99Å; F346-F348 HydrophobicContact CE2-CG 4.34Å; F348-E350 HydrophobicContact CD2-CB 4.49Å; F348-E350 HydrophobicContact CE2-CB 4.22Å; F348-E350 HydrophobicContact CE2-CG 4.14Å; F348-R358 HydrophobicContact CD1-CB 4.18Å; F348-R358 HydrophobicContact CD2-CB 4.09Å; F348-R358 HydrophobicContact CE1-CB 3.67Å; F348-R358 HydrophobicContact CE2-CB 3.58Å; F348-R358 HydrophobicContact CE2-CG 3.85Å; F348-R358 HydrophobicContact CG-CB 4.37Å; F348-R358 HydrophobicContact CZ-CB 3.33Å; F348-R358 HydrophobicContact CZ-CG 3.96Å; F348-R358 PolarHBondContact N-O 2.81Å; F348-R358 PolarHBondContact O-N 3.1Å; F348-A360 HydrophobicContact CE1-CB 4.05Å
349V86.3Confident87.4Confident75 Ų7543.2 Ų43.246%0.45526%0.255SS..EExtended strand (participates in β ladder)trans-94.8123.2172-175.30000108.2D351 E357V349-D351 WeakPolarHBondContact CG1-O 3.34Å; V349-E357 HydrophobicContact CG2-CG 4.34Å
350E84Confident87.3Confident14 Ų1442.8 Ų42.87%0.06525%0.252CS..  trans-89-7.9-174.9-154.1-159.8145.400113.4K300 F348 R356 R358K300-E350 HydrophobicContact CB-CG 3.88Å; K300-E350 PolarHBondContact N-OE1 2.81Å; K300-E350 WeakPolarHBondContact O-CG 3.31Å; F348-E350 HydrophobicContact CD2-CB 4.49Å; F348-E350 HydrophobicContact CE2-CB 4.22Å; F348-E350 HydrophobicContact CE2-CG 4.14Å; E350-R356 HydrophobicContact CB-CG 4.38Å; E350-R356 VanDerWaalsContact CG-NH2 3.27Å; E350-R356 PolarHBondContact N-O 2.85Å; E350-R356 PolarHBondContact O-NH2 3.17Å; E350-R356 IonicContact OE1-CZ 2.73Å; E350-R356 VanDerWaalsContact OE1-CZ 3.24Å; E350-R356 IonicContact OE1-NH1 3.31Å; E350-R356 PolarHBondContact OE1-NH1 2.89Å; E350-R356 IonicContact OE1-NH2 3.41Å; E350-R356 PolarHBondContact OE1-NH2 2.98Å; E350-R356 IonicContact OE2-CZ 3.73Å; E350-R356 IonicContact OE2-NE 2.75Å; E350-R356 IonicContact OE2-NH1 3.24Å; E350-R356 PolarHBondContact OE2-NH1 2.86Å; E350-R356 IonicContact OE2-NH2 3.8Å; E350-R356 PolarHBondContact OE2-NH2 3.38Å; E350-R358 HydrophobicContact CB-CG 3.87Å; E350-R358 HydrophobicContact CG-CG 4.42Å; E350-R358 IonicContact OE2-CZ 3.14Å; E350-R358 VanDerWaalsContact OE2-CZ 3.29Å; E350-R358 IonicContact OE2-NE 3.51Å; E350-R358 PolarHBondContact OE2-NE 3.04Å; E350-R358 IonicContact OE2-NH2 3.37Å; E350-R358 PolarHBondContact OE2-NH2 2.88Å
351D79.4Confident87.2Confident53 Ų5341.4 Ų41.428%0.28325%0.245SC..SBendtrans-137.7158.9-178.572.8-16.7000113.3V349 S353 G354 L355 R356V349-D351 WeakPolarHBondContact CG1-O 3.34Å; D351-S353 PolarHBondContact O-N 3.38Å; D351-S353 PolarHBondContact OD1-OG 3.22Å; D351-S353 PolarHBondContact OD2-OG 3.35Å; D351-G354 PolarHBondContact O-N 3.21Å; D351-G354 PolarHBondContact OD1-N 2.97Å; D351-L355 PolarHBondContact OD1-N 2.85Å; D351-R356 HydrophobicContact CB-CB 4.21Å; D351-R356 VanDerWaalsContact CG-CB 3.46Å; D351-R356 WeakPolarHBondContact OD1-CB 3.31Å; D351-R356 PolarHBondContact OD1-N 2.86Å
352C73Confident87.2Confident148 Ų14841 Ų41100%124%0.244SC*.THydrogen-bonded Turntrans-69.9-14.9179.9-590000113.1G354C352-G354 VanDerWaalsContact C-N 3.26Å; C352-G354 PolarHBondContact O-N 2.88Å
353S69.8Low87.2Confident70 Ų7042.5 Ų42.549%0.4925%0.25SS..THydrogen-bonded Turntrans-73.9-19.6-179.382.90000112.6D351 L355D351-S353 PolarHBondContact O-N 3.38Å; D351-S353 PolarHBondContact OD1-OG 3.22Å; D351-S353 PolarHBondContact OD2-OG 3.35Å; S353-L355 PolarHBondContact O-N 2.77Å; S353-L355 VanDerWaalsContact OG-CB 3.28Å; S353-L355 WeakPolarHBondContact OG-CB 3.44Å; S353-L355 VanDerWaalsContact OG-CG 3.27Å; S353-L355 WeakPolarHBondContact OG-CG 3.26Å; S353-L355 PolarHBondContact OG-N 2.05Å; S353-L355 VanDerWaalsContact OG-N 3.15Å
354G69.6Low87.2Confident33 Ų3341.4 Ų41.434%0.3424%0.243SC..SBendtrans79.9-1.1-173.700000113.7D351 C352D351-G354 PolarHBondContact O-N 3.21Å; D351-G354 PolarHBondContact OD1-N 2.97Å; C352-G354 VanDerWaalsContact C-N 3.26Å; C352-G354 PolarHBondContact O-N 2.88Å
355L73.6Confident87.2Confident103 Ų10341.2 Ų41.254%0.53924%0.242SC..  trans-93.2-21.4-171.1-56.3177.1000112.7I317 D351 S353 E357I317-L355 HydrophobicContact CD1-CD2 3.62Å; I317-L355 HydrophobicContact CG1-CD2 4.11Å; D351-L355 PolarHBondContact OD1-N 2.85Å; S353-L355 PolarHBondContact O-N 2.77Å; S353-L355 VanDerWaalsContact OG-CB 3.28Å; S353-L355 WeakPolarHBondContact OG-CB 3.44Å; S353-L355 VanDerWaalsContact OG-CG 3.27Å; S353-L355 WeakPolarHBondContact OG-CG 3.26Å; S353-L355 PolarHBondContact OG-N 2.05Å; S353-L355 VanDerWaalsContact OG-N 3.15Å; L355-E357 PolarHBondContact O-N 3.49Å
356R81.7Confident87.2Confident81 Ų8143.2 Ų43.231%0.30625%0.25SC..  trans-101.370.9-176.1-160.4165.663.1136.18.7111.3E350 D351E350-R356 HydrophobicContact CB-CG 4.38Å; E350-R356 VanDerWaalsContact CG-NH2 3.27Å; E350-R356 PolarHBondContact N-O 2.85Å; E350-R356 PolarHBondContact O-NH2 3.17Å; E350-R356 IonicContact OE1-CZ 2.73Å; E350-R356 VanDerWaalsContact OE1-CZ 3.24Å; E350-R356 IonicContact OE1-NH1 3.31Å; E350-R356 PolarHBondContact OE1-NH1 2.89Å; E350-R356 IonicContact OE1-NH2 3.41Å; E350-R356 PolarHBondContact OE1-NH2 2.98Å; E350-R356 IonicContact OE2-CZ 3.73Å; E350-R356 IonicContact OE2-NE 2.75Å; E350-R356 IonicContact OE2-NH1 3.24Å; E350-R356 PolarHBondContact OE2-NH1 2.86Å; E350-R356 IonicContact OE2-NH2 3.8Å; E350-R356 PolarHBondContact OE2-NH2 3.38Å; D351-R356 HydrophobicContact CB-CB 4.21Å; D351-R356 VanDerWaalsContact CG-CB 3.46Å; D351-R356 WeakPolarHBondContact OD1-CB 3.31Å; D351-R356 PolarHBondContact OD1-N 2.86Å
357E86.1Confident87.4Confident70 Ų7042.3 Ų42.333%0.32725%0.245SC..EExtended strand (participates in β ladder)trans-71.6136.4172.6-66.4-174.2172.800110.9D318 V349 L355D318-E357 WeakPolarHBondContact CA-OE2 3.18Å; V349-E357 HydrophobicContact CG2-CG 4.34Å; L355-E357 PolarHBondContact O-N 3.49Å
358R91.2Very high87.8Confident39 Ų3939.9 Ų39.915%0.14722%0.22CC..EExtended strand (participates in β ladder)trans-129.3151179.9-61.3-60.3-165.3-177.87.1109.7I295 T312 G347 F348 E350I295-R358 VanDerWaalsContact CG1-NH1 3.32Å; T312-R358 WeakPolarHBondContact O-CA 3.08Å; G347-R358 CarbonylContact C-O 3.33Å; G347-R358 VanDerWaalsContact CA-O 3.32Å; G347-R358 WeakPolarHBondContact CA-O 3.44Å; F348-R358 HydrophobicContact CD1-CB 4.18Å; F348-R358 HydrophobicContact CD2-CB 4.09Å; F348-R358 HydrophobicContact CE1-CB 3.67Å; F348-R358 HydrophobicContact CE2-CB 3.58Å; F348-R358 HydrophobicContact CE2-CG 3.85Å; F348-R358 HydrophobicContact CG-CB 4.37Å; F348-R358 HydrophobicContact CZ-CB 3.33Å; F348-R358 HydrophobicContact CZ-CG 3.96Å; F348-R358 PolarHBondContact N-O 2.81Å; F348-R358 PolarHBondContact O-N 3.1Å; E350-R358 HydrophobicContact CB-CG 3.87Å; E350-R358 HydrophobicContact CG-CG 4.42Å; E350-R358 IonicContact OE2-CZ 3.14Å; E350-R358 VanDerWaalsContact OE2-CZ 3.29Å; E350-R358 IonicContact OE2-NE 3.51Å; E350-R358 PolarHBondContact OE2-NE 3.04Å; E350-R358 IonicContact OE2-NH2 3.37Å; E350-R358 PolarHBondContact OE2-NH2 2.88Å
359Q92.8Very high88.1Confident14 Ų1441.4 Ų41.47%0.06523%0.233CC..EExtended strand (participates in β ladder)trans-119.2122.6173.3-178.162.551.900109.6C311 T312 A321 F346 F361C311-Q359 CarbonylContact C-O 3.57Å; C311-Q359 WeakPolarHBondContact CA-O 3.35Å; T312-Q359 PolarHBondContact N-O 3.07Å; T312-Q359 PolarHBondContact O-N 3.19Å; A321-Q359 HydrophobicContact CB-CG 4.23Å; F346-Q359 PolarHBondContact O-NE2 3.06Å; Q359-F361 HydrophobicContact CB-CE2 3.71Å; Q359-F361 HydrophobicContact CB-CZ 4.04Å; Q359-F361 HydrophobicContact CG-CD2 4.08Å; Q359-F361 HydrophobicContact CG-CE1 4.11Å; Q359-F361 HydrophobicContact CG-CE2 3.3Å; Q359-F361 HydrophobicContact CG-CZ 3.32Å; Q359-F361 WeakPolarHBondContact O-CD2 3.04Å; Q359-F361 WeakPolarHBondContact O-CE2 3.37Å
360A94.2Very high88.6Confident0 Ų041 Ų410%022%0.223CC..EExtended strand (participates in β ladder)trans-89.6141.9169.300000110.8F304 V310 S345 F346 F348F304-A360 HydrophobicContact CD2-CB 4.32Å; V310-A360 CarbonylContact O-C 3.54Å; V310-A360 WeakPolarHBondContact O-CA 3.43Å; S345-A360 PolarHBondContact N-O 3.44Å; S345-A360 VanDerWaalsContact N-O 3.16Å; F346-A360 HydrophobicContact CD1-CB 4.01Å; F346-A360 HydrophobicContact CD2-CB 4.1Å; F346-A360 HydrophobicContact CE1-CB 3.64Å; F346-A360 HydrophobicContact CE2-CB 3.74Å; F346-A360 HydrophobicContact CG-CB 4.22Å; F346-A360 HydrophobicContact CZ-CB 3.5Å; F346-A360 VanDerWaalsContact CZ-CB 3.5Å; F346-A360 PolarHBondContact N-O 3.36Å; F346-A360 WeakPolarHBondContact O-CB 3.35Å; F346-A360 PolarHBondContact O-N 3.41Å; F348-A360 HydrophobicContact CE1-CB 4.05Å
361F95.5Very high89.2Confident1 Ų140.9 Ų40.90%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-127.5146.6176-56.6-104.6000109.2V272 M309 V310 T312 L330 V343 V344 Q359 K363V272-F361 HydrophobicContact CG1-CE1 4.38Å; V272-F361 HydrophobicContact CG2-CE1 3.8Å; V272-F361 HydrophobicContact CG2-CZ 3.61Å; M309-F361 CarbonylContact C-O 3.57Å; M309-F361 WeakPolarHBondContact CA-O 3.47Å; V310-F361 HydrophobicContact CB-CB 4.33Å; V310-F361 PolarHBondContact N-O 2.8Å; V310-F361 PolarHBondContact O-N 2.56Å; T312-F361 HydrophobicContact CG2-CD2 4.05Å; T312-F361 HydrophobicContact CG2-CE2 3.5Å; T312-F361 VanDerWaalsContact CG2-CE2 3.5Å; T312-F361 HydrophobicContact CG2-CZ 4.24Å; T312-F361 VanDerWaalsContact OG1-CE2 3.26Å; T312-F361 WeakPolarHBondContact OG1-CE2 3.33Å; L330-F361 HydrophobicContact CB-CD1 3.61Å; L330-F361 HydrophobicContact CB-CE1 3.67Å; L330-F361 HydrophobicContact CB-CG 4.27Å; L330-F361 HydrophobicContact CB-CZ 4.39Å; L330-F361 HydrophobicContact CD1-CE1 4.25Å; L330-F361 HydrophobicContact CD1-CZ 4.17Å; L330-F361 HydrophobicContact CD2-CD1 4.14Å; L330-F361 HydrophobicContact CD2-CD2 4Å; L330-F361 HydrophobicContact CD2-CE1 4.35Å; L330-F361 HydrophobicContact CD2-CE2 4.25Å; L330-F361 HydrophobicContact CD2-CG 3.97Å; L330-F361 HydrophobicContact CD2-CZ 4.42Å; L330-F361 HydrophobicContact CG-CD1 4.39Å; L330-F361 HydrophobicContact CG-CE1 4.31Å; V343-F361 CarbonylContact O-C 3.55Å; V343-F361 WeakPolarHBondContact O-CA 3.29Å; V343-F361 WeakPolarHBondContact O-CB 3.49Å; V344-F361 HydrophobicContact CB-CD1 4.36Å; V344-F361 HydrophobicContact CB-CE1 4.31Å; V344-F361 HydrophobicContact CG2-CD1 3.94Å; V344-F361 HydrophobicContact CG2-CE1 3.5Å; V344-F361 VanDerWaalsContact CG2-CE1 3.5Å; V344-F361 HydrophobicContact CG2-CZ 4.5Å; Q359-F361 HydrophobicContact CB-CE2 3.71Å; Q359-F361 HydrophobicContact CB-CZ 4.04Å; Q359-F361 HydrophobicContact CG-CD2 4.08Å; Q359-F361 HydrophobicContact CG-CE1 4.11Å; Q359-F361 HydrophobicContact CG-CE2 3.3Å; Q359-F361 HydrophobicContact CG-CZ 3.32Å; Q359-F361 WeakPolarHBondContact O-CD2 3.04Å; Q359-F361 WeakPolarHBondContact O-CE2 3.37Å; F361-K363 PolarHBondContact O-N 2.93Å
362T96.4Very high90Very high3 Ų344.6 Ų44.62%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-69.2123.6168.1-58.30000109.3D235 I236 G342 V343 V364 Y367D235-T362 WeakPolarHBondContact O-CB 3.35Å; D235-T362 PolarHBondContact O-OG1 3.25Å; I236-T362 HydrophobicContact CB-CG2 4Å; I236-T362 HydrophobicContact CG2-CG2 4.39Å; G342-T362 VanDerWaalsContact CA-O 3.32Å; G342-T362 WeakPolarHBondContact CA-O 3.32Å; V343-T362 PolarHBondContact N-O 2.83Å; V343-T362 VanDerWaalsContact N-O 3.13Å; V343-T362 PolarHBondContact O-N 2.98Å; T362-V364 PolarHBondContact O-N 2.76Å; T362-Y367 HydrophobicContact CG2-CD2 3.51Å; T362-Y367 HydrophobicContact CG2-CE2 3.37Å
363K95.9Very high91.1Very high31 Ų3139.1 Ų39.114%0.13520%0.202CC..EExtended strand (participates in β ladder)trans-74.6106.6-175.1-174.9-175.6-65.21780111.1K306 R307 H308 M309 V310 F361 S365 F366 Y367K306-K363 PolarHBondContact O-NZ 3.46Å; R307-K363 PolarHBondContact O-NZ 3.43Å; R307-K363 VanDerWaalsContact O-NZ 3.11Å; H308-K363 VanDerWaalsContact C-CB 3.43Å; H308-K363 VanDerWaalsContact O-CB 3.26Å; H308-K363 WeakPolarHBondContact O-CB 3.4Å; H308-K363 PolarHBondContact O-N 3.42Å; M309-K363 VanDerWaalsContact O-CE 3.24Å; M309-K363 WeakPolarHBondContact O-CE 3.35Å; V310-K363 HydrophobicContact CG2-CB 3.93Å; V310-K363 HydrophobicContact CG2-CD 4.48Å; V310-K363 HydrophobicContact CG2-CG 3.82Å; F361-K363 PolarHBondContact O-N 2.93Å; K363-S365 VanDerWaalsContact C-N 3.35Å; K363-S365 WeakPolarHBondContact CG-OG 3.47Å; K363-S365 PolarHBondContact O-N 2.83Å; K363-F366 HydrophobicContact CB-CB 4.35Å; K363-F366 HydrophobicContact CD-CB 4.2Å; K363-F366 HydrophobicContact CG-CB 4.33Å; K363-F366 PolarHBondContact O-N 3.29Å; K363-Y367 WeakPolarHBondContact O-CD2 3.38Å; K363-Y367 PolarHBondContact O-N 2.94Å
364V97.2Very high92.3Very high1 Ų136 Ų361%0.00618%0.18CC..Hα-helixtrans-63.3-38.4-174.21740000112.6L256 P257 L340 Y341 V343 T362 F366 Y367 L368 I371L256-V364 HydrophobicContact CD2-CG1 4.05Å; P257-V364 HydrophobicContact CG-CB 4.4Å; P257-V364 HydrophobicContact CG-CG1 4.1Å; L340-V364 HydrophobicContact CD2-CG2 4.36Å; L340-V364 HydrophobicContact CG-CG2 4.14Å; L340-V364 WeakPolarHBondContact O-CB 3.25Å; L340-V364 WeakPolarHBondContact O-CG1 3.47Å; Y341-V364 PolarHBondContact O-N 3.23Å; V343-V364 HydrophobicContact CG2-CG2 3.89Å; T362-V364 PolarHBondContact O-N 2.76Å; V364-F366 PolarHBondContact O-N 2.87Å; V364-Y367 CarbonylContact O-C 3.52Å; V364-Y367 PolarHBondContact O-N 3.06Å; V364-L368 HydrophobicContact CG1-CD2 4.04Å; V364-L368 PolarHBondContact O-N 3.44Å; V364-L368 VanDerWaalsContact O-N 3.13Å; V364-I371 HydrophobicContact CG1-CD1 3.86Å
365S96.6Very high93.5Very high1 Ų137.9 Ų37.91%0.00718%0.182CC..Hα-helixtrans-59.3-32.1179590000113.4D258 N260 E261 K363D258-S365 WeakPolarHBondContact O-CB 3.36Å; N260-S365 PolarHBondContact N-O 2.95Å; E261-S365 WeakPolarHBondContact O-CB 3.47Å; E261-S365 PolarHBondContact O-OG 2.98Å; K363-S365 VanDerWaalsContact C-N 3.35Å; K363-S365 WeakPolarHBondContact CG-OG 3.47Å; K363-S365 PolarHBondContact O-N 2.83Å
366F96.1Very high94.5Very high56 Ų5636.5 Ų36.525%0.24619%0.185CC..Hα-helixtrans-73.3-34.8175.3-179.7-96000112.5R307 H308 K363 V364R307-F366 HydrophobicContact CG-CD2 4.4Å; R307-F366 HydrophobicContact CG-CE2 3.98Å; H308-F366 HydrophobicContact CB-CD1 3.49Å; H308-F366 VanDerWaalsContact CB-CD1 3.49Å; H308-F366 HydrophobicContact CB-CE1 3.72Å; H308-F366 HydrophobicContact CB-CG 3.94Å; H308-F366 HydrophobicContact CB-CZ 4.34Å; K363-F366 HydrophobicContact CB-CB 4.35Å; K363-F366 HydrophobicContact CD-CB 4.2Å; K363-F366 HydrophobicContact CG-CB 4.33Å; K363-F366 PolarHBondContact O-N 3.29Å; V364-F366 PolarHBondContact O-N 2.87Å
367Y96.9Very high95Very high12 Ų1240.1 Ų40.15%0.04720%0.203CC..Hα-helixtrans-90.63.6-178-71.5-80.5000113.8Q234 I236 H308 T362 K363 V364 W370 I371Q234-Y367 WeakPolarHBondContact CA-OH 3.35Å; Q234-Y367 HydrophobicContact CB-CE1 4.03Å; Q234-Y367 HydrophobicContact CG-CE1 3.88Å; Q234-Y367 WeakPolarHBondContact CG-OH 3.21Å; Q234-Y367 PolarHBondContact N-OH 3.22Å; I236-Y367 HydrophobicContact CG2-CD1 4.05Å; I236-Y367 HydrophobicContact CG2-CE1 4.42Å; I236-Y367 HydrophobicContact CG2-CG 4.15Å; H308-Y367 HydrophobicContact CB-CE2 4Å; T362-Y367 HydrophobicContact CG2-CD2 3.51Å; T362-Y367 HydrophobicContact CG2-CE2 3.37Å; K363-Y367 WeakPolarHBondContact O-CD2 3.38Å; K363-Y367 PolarHBondContact O-N 2.94Å; V364-Y367 CarbonylContact O-C 3.52Å; V364-Y367 PolarHBondContact O-N 3.06Å; Y367-W370 WeakPolarHBondContact O-CA 3.37Å; Y367-W370 WeakPolarHBondContact O-CB 3.29Å; Y367-W370 PolarHBondContact O-N 3.07Å; Y367-I371 WeakPolarHBondContact O-CG1 3.15Å; Y367-I371 PolarHBondContact O-N 2.91Å
368L97Very high95.2Very high0 Ų037.5 Ų37.50%019%0.191CC..Hα-helixtrans-55.5-40.1-180-71.9-171.2000115L256 P257 D258 E259 V364 W370 I371 R372L256-L368 HydrophobicContact CB-CD2 4.11Å; L256-L368 HydrophobicContact CD1-CD2 4.18Å; P257-L368 HydrophobicContact CG-CD1 4.49Å; P257-L368 WeakPolarHBondContact O-CD1 3.3Å; D258-L368 VanDerWaalsContact C-CD1 3.44Å; E259-L368 HydrophobicContact CB-CD1 4.28Å; V364-L368 HydrophobicContact CG1-CD2 4.04Å; V364-L368 PolarHBondContact O-N 3.44Å; V364-L368 VanDerWaalsContact O-N 3.13Å; L368-W370 VanDerWaalsContact C-N 3.29Å; L368-W370 PolarHBondContact O-N 2.97Å; L368-I371 HydrophobicContact CD2-CD1 4.08Å; L368-I371 PolarHBondContact O-N 2.9Å; L368-R372 WeakPolarHBondContact O-CB 3.37Å; L368-R372 WeakPolarHBondContact O-CG 3.46Å; L368-R372 PolarHBondContact O-N 3.11Å
369P96.6Very high94.8Very high64 Ų6437.7 Ų37.742%0.41620%0.197SC..Hα-helixtrans-58.8-42.3174.6-27.137.1000112.2E259 G373E259-P369 HydrophobicContact CG-CG 4.13Å; E259-P369 WeakPolarHBondContact OE1-CG 3.41Å; P369-G373 PolarHBondContact O-N 2.71Å
370W96.6Very high93.7Very high66 Ų6640.4 Ų40.425%0.2522%0.215CC..Hα-helixtrans-66.5-44.2175.8177.189.3000111.6A225 I236 L238 Y367 L368 G373 T374A225-W370 HydrophobicContact CB-CD2 4.2Å; A225-W370 HydrophobicContact CB-CH2 4.4Å; A225-W370 HydrophobicContact CB-CZ2 3.9Å; A225-W370 VanDerWaalsContact N-CZ2 3.31Å; I236-W370 HydrophobicContact CD1-CZ3 4.31Å; I236-W370 HydrophobicContact CG1-CZ3 4.11Å; I236-W370 HydrophobicContact CG2-CE3 4.19Å; I236-W370 HydrophobicContact CG2-CH2 4.49Å; I236-W370 HydrophobicContact CG2-CZ3 4.01Å; L238-W370 HydrophobicContact CB-CH2 4.12Å; L238-W370 HydrophobicContact CB-CZ3 4.37Å; Y367-W370 WeakPolarHBondContact O-CA 3.37Å; Y367-W370 WeakPolarHBondContact O-CB 3.29Å; Y367-W370 PolarHBondContact O-N 3.07Å; L368-W370 VanDerWaalsContact C-N 3.29Å; L368-W370 PolarHBondContact O-N 2.97Å; W370-G373 PolarHBondContact O-N 3.38Å; W370-T374 HydrophobicContact CZ2-CG2 4.43Å; W370-T374 VanDerWaalsContact O-CB 3.22Å; W370-T374 WeakPolarHBondContact O-CB 3.4Å; W370-T374 PolarHBondContact O-N 2.97Å; W370-T374 PolarHBondContact O-OG1 3.15Å
371I97.3Very high92.3Very high13 Ų1349.2 Ų49.27%0.06725%0.254CS..Hα-helixtrans-59.8-52.6178.3-68.1166.2000110.3I236 L238 L256 V364 Y367 L368 G373 T374 I375I236-I371 HydrophobicContact CD1-CD1 3.96Å; I236-I371 HydrophobicContact CD1-CG1 4.25Å; L238-I371 HydrophobicContact CD1-CG2 4.02Å; L256-I371 HydrophobicContact CD1-CG2 4.19Å; V364-I371 HydrophobicContact CG1-CD1 3.86Å; Y367-I371 WeakPolarHBondContact O-CG1 3.15Å; Y367-I371 PolarHBondContact O-N 2.91Å; L368-I371 HydrophobicContact CD2-CD1 4.08Å; L368-I371 PolarHBondContact O-N 2.9Å; I371-G373 PolarHBondContact O-N 3.35Å; I371-T374 PolarHBondContact O-N 2.71Å; I371-I375 HydrophobicContact CG2-CD1 3.74Å; I371-I375 HydrophobicContact CG2-CG1 4.41Å; I371-I375 VanDerWaalsContact O-CG1 3.31Å; I371-I375 WeakPolarHBondContact O-CG1 3.24Å; I371-I375 PolarHBondContact O-N 3.35Å
372R96Very high90.3Very high131 Ų13155.2 Ų55.249%0.49429%0.285SS..Hα-helixtrans-61.7-45.1-179.8-71.7175176.8161.1-0.8111.7L368 T374 I375 A376L368-R372 WeakPolarHBondContact O-CB 3.37Å; L368-R372 WeakPolarHBondContact O-CG 3.46Å; L368-R372 PolarHBondContact O-N 3.11Å; R372-T374 VanDerWaalsContact C-N 3.28Å; R372-T374 PolarHBondContact O-N 3Å; R372-I375 PolarHBondContact O-N 3.39Å; R372-A376 WeakPolarHBondContact O-CB 3.4Å; R372-A376 PolarHBondContact O-N 3.35Å
373G95.8Very high88.3Confident33 Ų3358.3 Ų58.334%0.3430%0.3SS..Hα-helixtrans-61.9-36.617600000112.7P369 W370 I371 K377P369-G373 PolarHBondContact O-N 2.71Å; W370-G373 PolarHBondContact O-N 3.38Å; I371-G373 PolarHBondContact O-N 3.35Å; G373-K377 VanDerWaalsContact O-CG 3.32Å; G373-K377 WeakPolarHBondContact O-CG 3.17Å; G373-K377 PolarHBondContact O-N 3.21Å
374T96Very high85.9Confident4 Ų461.6 Ų61.63%0.02532%0.319CS..Hα-helixtrans-72.6-43.3177.3-59.80000111.6E223 L238 W370 I371 R372 A376 K377 L378E223-T374 HydrophobicContact CB-CG2 3.45Å; E223-T374 VanDerWaalsContact CB-CG2 3.45Å; E223-T374 HydrophobicContact CG-CG2 3.71Å; L238-T374 HydrophobicContact CB-CG2 4.25Å; L238-T374 HydrophobicContact CD2-CG2 4.49Å; W370-T374 HydrophobicContact CZ2-CG2 4.43Å; W370-T374 VanDerWaalsContact O-CB 3.22Å; W370-T374 WeakPolarHBondContact O-CB 3.4Å; W370-T374 PolarHBondContact O-N 2.97Å; W370-T374 PolarHBondContact O-OG1 3.15Å; I371-T374 PolarHBondContact O-N 2.71Å; R372-T374 VanDerWaalsContact C-N 3.28Å; R372-T374 PolarHBondContact O-N 3Å; T374-A376 VanDerWaalsContact C-N 3.32Å; T374-A376 PolarHBondContact O-N 2.92Å; T374-K377 WeakPolarHBondContact O-CB 3.44Å; T374-K377 PolarHBondContact O-N 3.01Å; T374-K377 VanDerWaalsContact O-N 3.1Å; T374-L378 HydrophobicContact CG2-CD1 3.93Å; T374-L378 HydrophobicContact CG2-CG 4.34Å; T374-L378 WeakPolarHBondContact O-CG 3.46Å; T374-L378 PolarHBondContact O-N 3.3Å
375I94.8Very high83.2Confident73 Ų7369.5 Ų69.537%0.37435%0.35SS..Hα-helixtrans-56.1-47.8173.1-70.5168.6000110.1L238 I371 R372 K377 L378 T379L238-I375 HydrophobicContact CD1-CD1 4.34Å; L238-I375 HydrophobicContact CD1-CG1 3.83Å; I371-I375 HydrophobicContact CG2-CD1 3.74Å; I371-I375 HydrophobicContact CG2-CG1 4.41Å; I371-I375 VanDerWaalsContact O-CG1 3.31Å; I371-I375 WeakPolarHBondContact O-CG1 3.24Å; I371-I375 PolarHBondContact O-N 3.35Å; R372-I375 PolarHBondContact O-N 3.39Å; I375-K377 VanDerWaalsContact C-N 3.26Å; I375-K377 PolarHBondContact O-N 2.96Å; I375-L378 PolarHBondContact O-N 2.73Å; I375-L378 VanDerWaalsContact O-N 3.08Å; I375-T379 PolarHBondContact O-N 2.78Å; I375-T379 PolarHBondContact O-OG1 3.37Å; I375-T379 VanDerWaalsContact O-OG1 3.13Å
376A93.9Very high80.6Confident73 Ų7379.1 Ų79.160%0.60339%0.386SS*.Hα-helixtrans-61-31.4178.400000113.6R372 T374R372-A376 WeakPolarHBondContact O-CB 3.4Å; R372-A376 PolarHBondContact O-N 3.35Å; T374-A376 VanDerWaalsContact C-N 3.32Å; T374-A376 PolarHBondContact O-N 2.92Å
377K91.5Very high78Confident157 Ų15781.4 Ų81.468%0.68341%0.405SS*.Hα-helixtrans-75.6-32.4174.3-70.6170.4-173.7177.40112.9G373 T374 I375G373-K377 VanDerWaalsContact O-CG 3.32Å; G373-K377 WeakPolarHBondContact O-CG 3.17Å; G373-K377 PolarHBondContact O-N 3.21Å; T374-K377 WeakPolarHBondContact O-CB 3.44Å; T374-K377 PolarHBondContact O-N 3.01Å; T374-K377 VanDerWaalsContact O-N 3.1Å; I375-K377 VanDerWaalsContact C-N 3.26Å; I375-K377 PolarHBondContact O-N 2.96Å
378L90Very high75.3Confident16 Ų1687.2 Ų87.28%0.08443%0.432CS..Hα-helixtrans-84.8-21.2-177-68.4178.5000113.6K221 E223 L238 K240 T374 I375 P380K221-L378 HydrophobicContact CB-CD2 4Å; K221-L378 HydrophobicContact CD-CD2 3.38Å; K221-L378 HydrophobicContact CG-CD2 3.69Å; E223-L378 HydrophobicContact CG-CD1 3.91Å; E223-L378 HydrophobicContact CG-CD2 3.73Å; E223-L378 HydrophobicContact CG-CG 4.06Å; L238-L378 HydrophobicContact CD2-CD1 3.35Å; K240-L378 HydrophobicContact CB-CB 4.47Å; K240-L378 HydrophobicContact CB-CD1 4.04Å; K240-L378 HydrophobicContact CB-CD2 4.45Å; T374-L378 HydrophobicContact CG2-CD1 3.93Å; T374-L378 HydrophobicContact CG2-CG 4.34Å; T374-L378 WeakPolarHBondContact O-CG 3.46Å; T374-L378 PolarHBondContact O-N 3.3Å; I375-L378 PolarHBondContact O-N 2.73Å; I375-L378 VanDerWaalsContact O-N 3.08Å; L378-P380 WeakPolarHBondContact O-CD 3.36Å
379T83.8Confident72.7Confident43 Ų4390.9 Ų90.926%0.26446%0.458SS..SBendtrans-89112.5174.7-55.10000110I375 E383I375-T379 PolarHBondContact O-N 2.78Å; I375-T379 PolarHBondContact O-OG1 3.37Å; I375-T379 VanDerWaalsContact O-OG1 3.13Å; T379-E383 HydrophobicContact CG2-CB 4.23Å
380P70.6Confident70.1Confident70 Ų7099 Ų9946%0.45548%0.48SS..  trans-61.2141.7176.2-19.832000111.9L378 N382 E383L378-P380 WeakPolarHBondContact O-CD 3.36Å; P380-N382 PolarHBondContact O-N 3.34Å; P380-E383 WeakPolarHBondContact CD-OE2 3.27Å; P380-E383 PolarHBondContact O-N 3.44Å
381K64.3Low67.6Low186 Ų186100.6 Ų100.681%0.80950%0.502SS*.THydrogen-bonded Turntrans-53.8-25.5178.2-70.2-174.2177.4-1780114.3
382N54Low64.7Low126 Ų126105.6 Ų105.667%0.67453%0.533SS*.THydrogen-bonded Turntrans-81.5-9.3179-77.1-3000114.6P380 Y385P380-N382 PolarHBondContact O-N 3.34Å; N382-Y385 PolarHBondContact O-N 3.49Å
383E53.6Low61.9Low69 Ų69104.1 Ų104.132%0.32255%0.549SS..Hα-helixtrans-73-31.5171.9-74.1-175.716600111.4K240 T379 P380 Y385 R386 T387K240-E383 IonicContact NZ-OE2 3.3Å; T379-E383 HydrophobicContact CG2-CB 4.23Å; P380-E383 WeakPolarHBondContact CD-OE2 3.27Å; P380-E383 PolarHBondContact O-N 3.44Å; E383-Y385 PolarHBondContact O-N 3.42Å; E383-R386 PolarHBondContact O-N 3.24Å; E383-T387 PolarHBondContact O-N 3.43Å; E383-T387 PolarHBondContact O-OG1 2.58Å
384N45.9Very low59.1Low100 Ų100115.5 Ų115.554%0.53559%0.593SS.*Hα-helixtrans-64-23.4173.9-74.2-12.2000113.6T387 Q388N384-T387 PolarHBondContact O-OG1 3.27Å; N384-Q388 WeakPolarHBondContact O-CG 3.28Å
385Y40.5Very low57.2Low167 Ų167121.1 Ų121.166%0.65562%0.621SS**Hα-helixtrans-84.8-29.5177.7-85.5-86.9000113.1N382 E383 Q388 S389N382-Y385 PolarHBondContact O-N 3.49Å; E383-Y385 PolarHBondContact O-N 3.42Å; Y385-Q388 PolarHBondContact O-N 3.22Å; Y385-S389 WeakPolarHBondContact O-CB 3.36Å; Y385-S389 PolarHBondContact O-N 3.37Å; Y385-S389 PolarHBondContact O-OG 2.88Å
386R41.5Very low55.2Low203 Ų203123.6 Ų123.677%0.76663%0.634SS**Hα-helixtrans-77-27.1-179-78.3-175.3173.8-179.7-0.8113.4E383E383-R386 PolarHBondContact O-N 3.24Å
387T42Very low53.1Low104 Ų104126.4 Ų126.464%0.63864%0.636SS**Hα-helixtrans-76.3-26.9171.544.30000112.3E383 N384E383-T387 PolarHBondContact O-N 3.43Å; E383-T387 PolarHBondContact O-OG1 2.58Å; N384-T387 PolarHBondContact O-OG1 3.27Å
388Q39.8Very low50.8Low133 Ų133124.6 Ų124.662%0.62163%0.633SS**Hα-helixtrans-85.2-30.7175.7-69.2-176.3-1.800113.6N384 Y385 R390 S391N384-Q388 WeakPolarHBondContact O-CG 3.28Å; Y385-Q388 PolarHBondContact O-N 3.22Å; Q388-R390 VanDerWaalsContact C-N 3.28Å; Q388-R390 PolarHBondContact O-N 3.31Å; Q388-S391 PolarHBondContact O-OG 2.74Å
389S42.6Very low48.4Very low78 Ų78131.4 Ų131.455%0.54567%0.668SS.*THydrogen-bonded Turntrans-80.50.2-175.675.50000115.1Y385Y385-S389 WeakPolarHBondContact O-CB 3.36Å; Y385-S389 PolarHBondContact O-N 3.37Å; Y385-S389 PolarHBondContact O-OG 2.88Å
390R40.7Very low46Very low234 Ų234137.3 Ų137.388%0.88370%0.695SS**THydrogen-bonded Turntrans-99.4-1.6174.5-82.4-171.8174.8-174.5-0.7114.3Q388Q388-R390 VanDerWaalsContact C-N 3.28Å; Q388-R390 PolarHBondContact O-N 3.31Å
391S44Very low44.3Very low100 Ų100142.1 Ų142.170%0.69971%0.712SS**SBendtrans-102.511.3174.567.90000114.4Q388Q388-S391 PolarHBondContact O-OG 2.74Å
392T36.8Very low42.7Very low117 Ų117138.7 Ų138.772%0.71870%0.704SS**  trans-144.775177.943.20000111.5
393A38.6Very low41.8Very low101 Ų101139.8 Ų139.884%0.83571%0.707SS**  trans-130.9120.7153.200000106.9
394Q35.5Very low40.7Very low271 Ų271146.2 Ų146.2100%1.26674%0.742SS**  trans-54.20-162.1-74.2160.2-28.700116.5

Retrieved 394 of 394 residues in 214.5 ms (Link to these results)

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