A0A087Y7Y0_POEFO Loading...

Ribonuclease P/MRP 25 subunit-like

AlphaFold DB , UniProt , Accession A0A087Y7Y0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 188 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
1M63.4Low84.2Confident143 Ų14397.3 Ų97.370%0.70448%0.483SS*.  096.10-167.3177.7-91.900105N3 Y4 L125M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.24Å; M1-Y4 HydrophobicContact CG-CD2 3.72Å; M1-Y4 HydrophobicContact CG-CG 4.16Å; M1-Y4 HydrophobicContact SD-CD2 3.82Å; M1-Y4 HydrophobicContact SD-CG 3.86Å; M1-L125 HydrophobicContact CE-CD1 3.88Å; M1-L125 HydrophobicContact SD-CD1 3.74Å
2E78.9Confident84.3Confident183 Ų18395.8 Ų95.886%0.85547%0.474SS*.THydrogen-bonded Turntrans-74.1-20.4-159.6-66.2173.4164.600113.6L116E2-L116 WeakPolarHBondContact O-CD1 3.36Å
3N84.6Confident83.7Confident98 Ų9898.2 Ų98.252%0.52450%0.501SS..THydrogen-bonded Turntrans-108.58.5-174.5-58.7-30.4000114.7M1 P115 L116 L122M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.24Å; N3-P115 WeakPolarHBondContact O-CA 3.43Å; N3-L116 PolarHBondContact O-N 3.46Å; N3-L122 HydrophobicContact CB-CD1 4.04Å
4Y86.4Confident83.2Confident37 Ų3793.9 Ų93.915%0.14548%0.483CS..EExtended strand (participates in β ladder)trans-133142.6-171.8-73.3-91.3000112.3M1 W113 E114 P115 L122 D123 L125M1-Y4 HydrophobicContact CG-CD2 3.72Å; M1-Y4 HydrophobicContact CG-CG 4.16Å; M1-Y4 HydrophobicContact SD-CD2 3.82Å; M1-Y4 HydrophobicContact SD-CG 3.86Å; Y4-W113 HydrophobicContact CD1-CB 4.22Å; Y4-E114 WeakPolarHBondContact CA-O 3.19Å; Y4-P115 HydrophobicContact CD1-CG 4.47Å; Y4-P115 HydrophobicContact CE1-CB 4.36Å; Y4-P115 HydrophobicContact CE1-CG 3.91Å; Y4-L122 HydrophobicContact CE2-CD1 4.43Å; Y4-D123 WeakPolarHBondContact CE1-O 3.13Å; Y4-D123 PolarHBondContact OH-O 3.31Å; Y4-L125 HydrophobicContact CD1-CD1 3.93Å; Y4-L125 HydrophobicContact CD1-CG 4.22Å; Y4-L125 HydrophobicContact CD2-CD1 3.95Å; Y4-L125 HydrophobicContact CE1-CB 4.36Å; Y4-L125 HydrophobicContact CE1-CD1 3.59Å; Y4-L125 HydrophobicContact CE1-CG 3.62Å; Y4-L125 HydrophobicContact CE2-CD1 3.6Å; Y4-L125 HydrophobicContact CE2-CG 4.43Å; Y4-L125 HydrophobicContact CG-CD1 4.1Å
5S88.1Confident83.2Confident54 Ų5496.3 Ų96.338%0.37850%0.503SS..EExtended strand (participates in β ladder)trans-114.7147.6169.969.50000111.5A7 W113 E114S5-A7 PolarHBondContact O-N 3.48Å; S5-W113 VanDerWaalsContact C-CE3 3.43Å; S5-W113 CarbonylContact O-C 3.57Å; S5-W113 VanDerWaalsContact O-CA 3.27Å; S5-W113 WeakPolarHBondContact O-CA 3.31Å; S5-E114 PolarHBondContact N-O 2.9Å; S5-E114 PolarHBondContact O-N 3.21Å
6R88.1Confident83.3Confident145 Ų14592.8 Ų92.855%0.54749%0.489SS..EExtended strand (participates in β ladder)trans-76.7108.5179.1-172.8178.865.9-177.2-2.8109.2V9 W113R6-V9 HydrophobicContact CG-CG2 4.36Å; R6-W113 HydrophobicContact CB-CD2 4.04Å; R6-W113 HydrophobicContact CB-CE3 3.91Å; R6-W113 HydrophobicContact CB-CH2 3.77Å; R6-W113 HydrophobicContact CB-CZ2 3.89Å; R6-W113 HydrophobicContact CB-CZ3 3.78Å; R6-W113 HydrophobicContact CG-CD2 4.44Å; R6-W113 HydrophobicContact CG-CH2 4.45Å; R6-W113 HydrophobicContact CG-CZ2 4.09Å; R6-W113 VanDerWaalsContact N-CE3 3.33Å
7A87.1Confident83.5Confident47 Ų4789.8 Ų89.839%0.38848%0.477SS..EExtended strand (participates in β ladder)trans-82.1-53.5-177.600000112S5 V112 E114S5-A7 PolarHBondContact O-N 3.48Å; A7-V112 PolarHBondContact N-O 2.8Å; A7-E114 HydrophobicContact CB-CB 4.2Å; A7-E114 VanDerWaalsContact CB-CD 3.45Å; A7-E114 HydrophobicContact CB-CG 3.7Å
8R89Confident83.7Confident133 Ų13385.8 Ų85.850%0.50246%0.455SS..EExtended strand (participates in β ladder)trans-146.3154.8-177.762.1178.1-176.7-83.21.7113V112 E114R8-V112 HydrophobicContact CG-CB 3.69Å; R8-V112 HydrophobicContact CG-CG2 3.93Å; R8-V112 PolarHBondContact N-O 2.92Å; R8-V112 PolarHBondContact O-N 3.42Å; R8-E114 IonicContact NH1-OE1 2.72Å
9V88.6Confident83.4Confident72 Ų7286.3 Ų86.344%0.43647%0.472SS..EExtended strand (participates in β ladder)trans-121.9121.8175.9-177.20000107.8R6 V109 L110 E111R6-V9 HydrophobicContact CG-CG2 4.36Å; V9-V109 HydrophobicContact CG1-CG1 3.19Å; V9-L110 WeakPolarHBondContact CA-O 3.27Å; V9-E111 HydrophobicContact CG1-CG 4.48Å; V9-E111 HydrophobicContact CG2-CG 4.28Å
10V87.1Confident83.2Confident67 Ų6786.1 Ų86.141%0.40649%0.491SS..EExtended strand (participates in β ladder)trans-116.7113.9-178.4-175.10000108.7V109 L110V10-V109 WeakPolarHBondContact O-CA 3.48Å; V10-L110 HydrophobicContact CB-CB 4.43Å; V10-L110 PolarHBondContact N-O 3.44Å; V10-L110 PolarHBondContact O-N 3.03Å
11E85.3Confident83.2Confident91 Ų9184.2 Ų84.243%0.42548%0.479SS..EExtended strand (participates in β ladder)trans-77.7125.4171.8-62.4-171.5177.500110R31 V109E11-R31 IonicContact OE2-CZ 3.1Å; E11-R31 IonicContact OE2-NH1 3.72Å; E11-R31 PolarHBondContact OE2-NH1 3.16Å; E11-R31 IonicContact OE2-NH2 2.66Å; E11-V109 HydrophobicContact CB-CG2 4.46Å; E11-V109 HydrophobicContact CG-CG2 3.99Å
12Q84.8Confident84.1Confident80 Ų8080.4 Ų80.437%0.37447%0.465SS..PPolyproline II helixtrans-76.3144.9171.5-63.9-168.226.900110.6C14 T108 L110Q12-C14 PolarHBondContact O-N 3.5Å; Q12-T108 VanDerWaalsContact CB-O 3.3Å; Q12-T108 WeakPolarHBondContact CB-O 3.22Å; Q12-T108 HydrophobicContact CG-CG2 4.4Å; Q12-T108 PolarHBondContact N-O 2.92Å; Q12-L110 HydrophobicContact CG-CD1 4.4Å; Q12-L110 HydrophobicContact CG-CG 4.3Å
13P77.4Confident84Confident127 Ų12777.2 Ų77.283%0.82547%0.47SS*.PPolyproline II helixtrans-56.4124.6173-21.431.9000111
14C76.3Confident83.8Confident37 Ų3777.1 Ų77.125%0.2547%0.469CS..PPolyproline II helixtrans-89.3125.1167.3-176.20000108.2Q12 W135Q12-C14 PolarHBondContact O-N 3.5Å; C14-W135 HydrophobicContact CB-CZ2 4.22Å
15V83.1Confident83.9Confident130 Ų13076.5 Ų76.579%0.78847%0.47SS*.PPolyproline II helixtrans-69.9140173.2-174.80000108.8
16S84.4Confident84.1Confident40 Ų4074.6 Ų74.628%0.2846%0.456SS..PPolyproline II helixtrans-62.9129.81751770000109.6F18S16-F18 PolarHBondContact O-N 3.21Å; S16-F18 PolarHBondContact OG-N 3.41Å
17P87.5Confident84.4Confident43 Ų4370.3 Ų70.328%0.27944%0.442SS..SBendtrans-72.6-7.8174.332.4-35.7000111.8A19 R103 W135P17-A19 PolarHBondContact O-N 2.8Å; P17-R103 HydrophobicContact CB-CB 4.19Å; P17-R103 HydrophobicContact CG-CB 3.68Å; P17-R103 HydrophobicContact CG-CG 4.45Å; P17-R103 PolarHBondContact O-NH1 2.72Å; P17-W135 VanDerWaalsContact CD-CD1 3.49Å; P17-W135 VanDerWaalsContact CD-CE2 3.47Å; P17-W135 VanDerWaalsContact CD-CG 3.42Å; P17-W135 HydrophobicContact CG-CB 3.94Å; P17-W135 HydrophobicContact CG-CD2 4.19Å; P17-W135 HydrophobicContact CG-CG 3.68Å
18F86.2Confident84.8Confident17 Ų1768.3 Ų68.38%0.07543%0.425CS..  trans-89.3100.2177.4-66.1-87.9000110.4S16 L21 L73 L101 R103 W135 L137S16-F18 PolarHBondContact O-N 3.21Å; S16-F18 PolarHBondContact OG-N 3.41Å; F18-L21 HydrophobicContact CB-CD1 3.47Å; F18-L21 VanDerWaalsContact CB-CD1 3.47Å; F18-L21 HydrophobicContact CB-CD2 4.47Å; F18-L21 HydrophobicContact CB-CG 3.78Å; F18-L21 HydrophobicContact CG-CD1 4.04Å; F18-L73 HydrophobicContact CD2-CD1 3.65Å; F18-L73 HydrophobicContact CD2-CD2 4.49Å; F18-L73 HydrophobicContact CE2-CD1 3.61Å; F18-L73 HydrophobicContact CG-CD1 4.48Å; F18-L73 HydrophobicContact CZ-CD1 4.4Å; F18-L101 HydrophobicContact CD1-CD2 4.49Å; F18-L101 HydrophobicContact CE1-CB 4.29Å; F18-L101 HydrophobicContact CE1-CD2 3.68Å; F18-L101 HydrophobicContact CE1-CG 3.8Å; F18-L101 HydrophobicContact CZ-CG 4.22Å; F18-R103 HydrophobicContact CE1-CG 4.23Å; F18-R103 HydrophobicContact CE2-CB 4.22Å; F18-R103 HydrophobicContact CE2-CG 4.18Å; F18-R103 HydrophobicContact CZ-CB 4.27Å; F18-R103 HydrophobicContact CZ-CG 3.8Å; F18-W135 HydrophobicContact CD2-CB 4.14Å; F18-W135 HydrophobicContact CE2-CB 3.57Å; F18-L137 HydrophobicContact CD1-CB 4.44Å; F18-L137 HydrophobicContact CD1-CD2 4.17Å; F18-L137 HydrophobicContact CE1-CB 3.73Å; F18-L137 HydrophobicContact CE1-CD2 3.94Å; F18-L137 HydrophobicContact CE1-CG 4.46Å; F18-L137 HydrophobicContact CE2-CB 4.37Å; F18-L137 HydrophobicContact CZ-CB 3.69Å
19A77.6Confident85.1Confident95 Ų9568.3 Ų68.379%0.78543%0.425SS*.  trans-82.2142.2167.900000110P17P17-A19 PolarHBondContact O-N 2.8Å
20G80.1Confident85.5Confident82 Ų8264.9 Ų64.985%0.84540%0.404SS*.SBendtrans7916.317200000115.9
21L83.6Confident85.9Confident47 Ų4766.5 Ų66.525%0.24640%0.403CS..  trans-67.3144.4166.3-65.9178.2000109.9F18 A23 T25 L73 L137F18-L21 HydrophobicContact CB-CD1 3.47Å; F18-L21 VanDerWaalsContact CB-CD1 3.47Å; F18-L21 HydrophobicContact CB-CD2 4.47Å; F18-L21 HydrophobicContact CB-CG 3.78Å; F18-L21 HydrophobicContact CG-CD1 4.04Å; L21-A23 PolarHBondContact O-N 3.32Å; L21-T25 HydrophobicContact CD1-CG2 4.38Å; L21-L73 HydrophobicContact CD1-CD2 4.11Å; L21-L137 HydrophobicContact CD1-CD1 4.27Å; L21-L137 HydrophobicContact CD2-CD1 4.08Å; L21-L137 HydrophobicContact CD2-CD2 3.95Å
22P82.9Confident86.1Confident64 Ų6466.9 Ų66.942%0.41641%0.408SS..  trans-50.7137.9170-28.236.4000111.4D24 T25P22-D24 WeakPolarHBondContact CB-OD1 3.24Å; P22-D24 PolarHBondContact O-N 3.48Å; P22-D24 VanDerWaalsContact O-N 3.07Å; P22-T25 WeakPolarHBondContact CD-OG1 3.49Å; P22-T25 VanDerWaalsContact O-CB 3.28Å; P22-T25 WeakPolarHBondContact O-CB 3.49Å; P22-T25 PolarHBondContact O-N 3.3Å; P22-T25 PolarHBondContact O-OG1 3.29Å
23A75.8Confident86.5Confident116 Ų11666.1 Ų66.196%0.95942%0.421SS*.THydrogen-bonded Turntrans-61.1-20.5-175.400000113.4L21L21-A23 PolarHBondContact O-N 3.32Å
24D79.9Confident87.4Confident95 Ų9561.4 Ų61.451%0.50839%0.391SS..THydrogen-bonded Turntrans-86.8-1.9176.967.1-41.6000113.6P22 P26P22-D24 WeakPolarHBondContact CB-OD1 3.24Å; P22-D24 PolarHBondContact O-N 3.48Å; P22-D24 VanDerWaalsContact O-N 3.07Å; D24-P26 WeakPolarHBondContact O-CD 3.43Å; D24-P26 VanDerWaalsContact O-N 3.12Å
25T89.5Confident88.4Confident25 Ų2566.7 Ų66.715%0.15341%0.41CS..  trans-63.5113.7-178.3-55.90000110.5L21 P22 E27 Q71L21-T25 HydrophobicContact CD1-CG2 4.38Å; P22-T25 WeakPolarHBondContact CD-OG1 3.49Å; P22-T25 VanDerWaalsContact O-CB 3.28Å; P22-T25 WeakPolarHBondContact O-CB 3.49Å; P22-T25 PolarHBondContact O-N 3.3Å; P22-T25 PolarHBondContact O-OG1 3.29Å; T25-E27 PolarHBondContact O-N 3.05Å; T25-Q71 HydrophobicContact CG2-CB 4.02Å
26P92.8Very high89.1Confident14 Ų1464 Ų649%0.09139%0.391CS..  trans-68.4133.9-177.724-31.2000111D24 F42 R46 C69 Q71 L72 L73D24-P26 WeakPolarHBondContact O-CD 3.43Å; D24-P26 VanDerWaalsContact O-N 3.12Å; P26-F42 HydrophobicContact CB-CE1 4.19Å; P26-F42 HydrophobicContact CB-CZ 4.25Å; P26-R46 HydrophobicContact CB-CG 4.11Å; P26-R46 HydrophobicContact CG-CB 4.01Å; P26-R46 HydrophobicContact CG-CG 4.1Å; P26-C69 WeakPolarHBondContact CD-SG 3.42Å; P26-C69 HydrophobicContact CG-CB 3.97Å; P26-Q71 VanDerWaalsContact CD-O 3.31Å; P26-Q71 WeakPolarHBondContact CD-O 3.41Å; P26-L72 HydrophobicContact CB-CD1 3.87Å; P26-L72 HydrophobicContact CG-CD1 3.61Å; P26-L73 PolarHBondContact O-N 3.07Å
27E94.3Very high89.6Confident54 Ų5470.7 Ų70.725%0.25241%0.41SS..EExtended strand (participates in β ladder)trans-108.1124.3175.1-170.4-168.8166.700111.3T25 R29 L73 S75 W135T25-E27 PolarHBondContact O-N 3.05Å; E27-R29 VanDerWaalsContact CD-CZ 3.49Å; E27-R29 HydrophobicContact CG-CG 4.07Å; E27-R29 VanDerWaalsContact OE1-CG 3.31Å; E27-R29 WeakPolarHBondContact OE1-CG 3.41Å; E27-R29 IonicContact OE1-CZ 3.88Å; E27-R29 VanDerWaalsContact OE1-CZ 3.24Å; E27-R29 IonicContact OE1-NE 3.45Å; E27-R29 PolarHBondContact OE1-NE 2.93Å; E27-R29 IonicContact OE1-NH1 3.17Å; E27-R29 IonicContact OE1-NH2 2.64Å; E27-R29 IonicContact OE2-CZ 3.25Å; E27-R29 IonicContact OE2-NE 2.93Å; E27-R29 PolarHBondContact OE2-NE 3.07Å; E27-R29 VanDerWaalsContact OE2-NE 3.17Å; E27-R29 IonicContact OE2-NH2 3.17Å; E27-R29 PolarHBondContact OE2-NH2 2.92Å; E27-L73 CarbonylContact C-O 3.58Å; E27-L73 WeakPolarHBondContact CA-O 3.44Å; E27-L73 HydrophobicContact CG-CB 4.42Å; E27-L73 HydrophobicContact CG-CD2 4.25Å; E27-L73 HydrophobicContact CG-CG 4.36Å; E27-S75 WeakPolarHBondContact OE1-CB 3.33Å; E27-S75 PolarHBondContact OE1-OG 2.7Å; E27-W135 WeakPolarHBondContact OE1-CZ3 3.42Å
28V95.8Very high90.1Very high6 Ų672.2 Ų72.24%0.03642%0.416CS..EExtended strand (participates in β ladder)trans-98.195.9172.8-1720000109.2V30 L39 F42 A43 L72 L73 F74 S75V28-V30 HydrophobicContact CG1-CG2 4.29Å; V28-V30 PolarHBondContact O-N 3.12Å; V28-L39 HydrophobicContact CG1-CB 4.14Å; V28-L39 HydrophobicContact CG1-CD2 3.67Å; V28-L39 HydrophobicContact CG1-CG 4.4Å; V28-F42 HydrophobicContact CG2-CD1 3.74Å; V28-F42 HydrophobicContact CG2-CE1 3.87Å; V28-A43 HydrophobicContact CG2-CB 4.46Å; V28-L72 HydrophobicContact CG2-CD1 3.67Å; V28-L72 HydrophobicContact CG2-CD2 4.3Å; V28-L72 HydrophobicContact CG2-CG 4.17Å; V28-L73 PolarHBondContact N-O 3.1Å; V28-F74 HydrophobicContact CB-CD1 3.58Å; V28-F74 HydrophobicContact CB-CE1 3.69Å; V28-F74 HydrophobicContact CB-CG 4.29Å; V28-F74 HydrophobicContact CB-CZ 4.48Å; V28-F74 HydrophobicContact CG1-CD1 3.71Å; V28-F74 HydrophobicContact CG1-CE1 3.56Å; V28-F74 HydrophobicContact CG2-CD1 4.32Å; V28-F74 HydrophobicContact CG2-CE1 4.05Å; V28-F74 HydrophobicContact CG2-CZ 4.4Å; V28-F74 WeakPolarHBondContact O-CA 3.46Å; V28-S75 PolarHBondContact O-N 2.95Å
29R95.5Very high90.6Very high132 Ų13272.4 Ų72.450%0.49842%0.418SS..EExtended strand (participates in β ladder)trans-78.5108.9176.1-65.3176.6-175.1-1020.8110.4E27E27-R29 VanDerWaalsContact CD-CZ 3.49Å; E27-R29 HydrophobicContact CG-CG 4.07Å; E27-R29 VanDerWaalsContact OE1-CG 3.31Å; E27-R29 WeakPolarHBondContact OE1-CG 3.41Å; E27-R29 IonicContact OE1-CZ 3.88Å; E27-R29 VanDerWaalsContact OE1-CZ 3.24Å; E27-R29 IonicContact OE1-NE 3.45Å; E27-R29 PolarHBondContact OE1-NE 2.93Å; E27-R29 IonicContact OE1-NH1 3.17Å; E27-R29 IonicContact OE1-NH2 2.64Å; E27-R29 IonicContact OE2-CZ 3.25Å; E27-R29 IonicContact OE2-NE 2.93Å; E27-R29 PolarHBondContact OE2-NE 3.07Å; E27-R29 VanDerWaalsContact OE2-NE 3.17Å; E27-R29 IonicContact OE2-NH2 3.17Å; E27-R29 PolarHBondContact OE2-NH2 2.92Å
30V96.5Very high91.5Very high0 Ų068.6 Ų68.60%038%0.384CS..EExtended strand (participates in β ladder)trans-94.3120.8-178.9-171.30000109.4V28 L39 F74 S75 A76 A80 K83 A84V28-V30 HydrophobicContact CG1-CG2 4.29Å; V28-V30 PolarHBondContact O-N 3.12Å; V30-L39 HydrophobicContact CB-CD1 4.39Å; V30-L39 HydrophobicContact CG1-CD1 3.86Å; V30-L39 HydrophobicContact CG2-CD1 3.97Å; V30-F74 HydrophobicContact CG2-CD1 4.01Å; V30-S75 PolarHBondContact N-O 2.84Å; V30-A76 HydrophobicContact CB-CB 4.07Å; V30-A80 HydrophobicContact CG1-CB 4.35Å; V30-A80 VanDerWaalsContact O-CB 3.3Å; V30-A80 WeakPolarHBondContact O-CB 3.28Å; V30-K83 HydrophobicContact CG1-CB 3.91Å; V30-K83 HydrophobicContact CG1-CD 3.64Å; V30-K83 HydrophobicContact CG1-CG 3.86Å; V30-A84 HydrophobicContact CB-CB 3.99Å; V30-A84 HydrophobicContact CG1-CB 4.3Å; V30-A84 HydrophobicContact CG2-CB 3.8Å
31R94.4Very high92.2Very high102 Ų10271.6 Ų71.639%0.38537%0.37SS..  trans-119.9170.5178.9-54.8-60.1-170.1168.110.6110.5E11 G33 S34 K83E11-R31 IonicContact OE2-CZ 3.1Å; E11-R31 IonicContact OE2-NH1 3.72Å; E11-R31 PolarHBondContact OE2-NH1 3.16Å; E11-R31 IonicContact OE2-NH2 2.66Å; R31-G33 VanDerWaalsContact C-N 3.28Å; R31-G33 PolarHBondContact O-N 3.31Å; R31-S34 PolarHBondContact N-OG 3.19Å; R31-S34 WeakPolarHBondContact O-CB 3.39Å; R31-S34 PolarHBondContact O-N 2.97Å; R31-S34 PolarHBondContact O-OG 2.79Å; R31-K83 PolarHBondContact O-NZ 3.4Å
32D89.8Confident92.8Very high99 Ų9972.9 Ų72.953%0.52937%0.373SS..THydrogen-bonded Turntrans-58.1-40.1178.4-78.45.2000112.2S34 R79 A80 K83D32-S34 VanDerWaalsContact C-N 3.35Å; D32-S34 PolarHBondContact O-N 3.21Å; D32-R79 WeakPolarHBondContact OD1-CB 3.39Å; D32-A80 PolarHBondContact OD1-N 2.86Å; D32-K83 PolarHBondContact O-NZ 2.81Å
33G93.3Very high93.3Very high63 Ų6369.8 Ų69.865%0.64935%0.354SS*.THydrogen-bonded Turntrans-76.4-13.2176.500000115.6R31 K35R31-G33 VanDerWaalsContact C-N 3.28Å; R31-G33 PolarHBondContact O-N 3.31Å; G33-K35 PolarHBondContact O-N 2.69Å
34S96.6Very high94.2Very high28 Ų2864.7 Ų64.720%0.19631%0.31CS..  trans-64.3133.2-173.9-57.20000111.9R31 D32 K83R31-S34 PolarHBondContact N-OG 3.19Å; R31-S34 WeakPolarHBondContact O-CB 3.39Å; R31-S34 PolarHBondContact O-N 2.97Å; R31-S34 PolarHBondContact O-OG 2.79Å; D32-S34 VanDerWaalsContact C-N 3.35Å; D32-S34 PolarHBondContact O-N 3.21Å; S34-K83 PolarHBondContact O-NZ 3.26Å
35K97.3Very high94.7Very high148 Ų14862 Ų6264%0.64330%0.298SS*.  trans-89.3118.6177.9-56.3-61.9179.8178.80110G33 R37 N38 L39G33-K35 PolarHBondContact O-N 2.69Å; K35-R37 VanDerWaalsContact C-N 3.26Å; K35-R37 PolarHBondContact O-N 3.08Å; K35-R37 VanDerWaalsContact O-N 3.17Å; K35-N38 HydrophobicContact CB-CB 4.46Å; K35-N38 PolarHBondContact O-N 3.29Å; K35-L39 PolarHBondContact O-N 2.86Å
36I96.9Very high94.7Very high75 Ų7563 Ų6339%0.38530%0.299SS..Hα-helixtrans-50-45.7-176.5-66.3172.1000111.6N38 L39 L40 K83I36-N38 VanDerWaalsContact C-N 3.29Å; I36-N38 PolarHBondContact O-N 3.29Å; I36-L39 PolarHBondContact O-N 2.84Å; I36-L40 HydrophobicContact CG2-CD1 3.61Å; I36-L40 HydrophobicContact CG2-CG 4.04Å; I36-L40 WeakPolarHBondContact O-CB 3.23Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.15Å; I36-L40 PolarHBondContact O-N 2.94Å; I36-K83 HydrophobicContact CD1-CG 4.19Å; I36-K83 HydrophobicContact CG1-CD 4.07Å; I36-K83 HydrophobicContact CG1-CG 3.83Å
37R96.3Very high94.4Very high179 Ų17962.3 Ų62.368%0.67530%0.295SS*.Hα-helixtrans-54.8-41.8178.3-174179.869.4175-0.1113.1K35 R41K35-R37 VanDerWaalsContact C-N 3.26Å; K35-R37 PolarHBondContact O-N 3.08Å; K35-R37 VanDerWaalsContact O-N 3.17Å; R37-R41 WeakPolarHBondContact O-CB 3.17Å; R37-R41 PolarHBondContact O-N 2.85Å
38N97.1Very high93.7Very high76 Ų7664 Ų6441%0.40630%0.303SS..Hα-helixtrans-73.4-41.7-178.1-66-3.1000110.9K35 I36 R41 F42K35-N38 HydrophobicContact CB-CB 4.46Å; K35-N38 PolarHBondContact O-N 3.29Å; I36-N38 VanDerWaalsContact C-N 3.29Å; I36-N38 PolarHBondContact O-N 3.29Å; N38-R41 PolarHBondContact O-N 2.74Å; N38-R41 PolarHBondContact OD1-NH1 2.9Å; N38-F42 PolarHBondContact O-N 3.46Å
39L97.4Very high92.1Very high21 Ų2166.5 Ų66.511%0.1132%0.318CS..Hα-helixtrans-59.7-46.9175.8-59.6175.7000111.2V28 V30 K35 I36 F42 A43 K83V28-L39 HydrophobicContact CG1-CB 4.14Å; V28-L39 HydrophobicContact CG1-CD2 3.67Å; V28-L39 HydrophobicContact CG1-CG 4.4Å; V30-L39 HydrophobicContact CB-CD1 4.39Å; V30-L39 HydrophobicContact CG1-CD1 3.86Å; V30-L39 HydrophobicContact CG2-CD1 3.97Å; K35-L39 PolarHBondContact O-N 2.86Å; I36-L39 PolarHBondContact O-N 2.84Å; L39-F42 PolarHBondContact O-N 2.67Å; L39-A43 VanDerWaalsContact O-CB 3.25Å; L39-A43 WeakPolarHBondContact O-CB 3.36Å; L39-A43 PolarHBondContact O-N 3.41Å; L39-K83 HydrophobicContact CD1-CD 4.44Å
40L96.6Very high90Very high15 Ų1562.5 Ų62.58%0.07932%0.318CS..Hα-helixtrans-65.9-42.8178.7-68.1177.5000112I36 F42 A43 L44 C87 V90 V91I36-L40 HydrophobicContact CG2-CD1 3.61Å; I36-L40 HydrophobicContact CG2-CG 4.04Å; I36-L40 WeakPolarHBondContact O-CB 3.23Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.15Å; I36-L40 PolarHBondContact O-N 2.94Å; L40-F42 VanDerWaalsContact C-N 3.31Å; L40-F42 PolarHBondContact O-N 2.86Å; L40-A43 PolarHBondContact O-N 2.78Å; L40-L44 VanDerWaalsContact O-CB 3.31Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 WeakPolarHBondContact O-CD1 3.26Å; L40-L44 WeakPolarHBondContact O-CG 3.38Å; L40-L44 PolarHBondContact O-N 2.87Å; L40-C87 HydrophobicContact CD2-CB 4.15Å; L40-C87 WeakPolarHBondContact CD2-O 3.26Å; L40-V90 HydrophobicContact CD1-CB 4.2Å; L40-V90 HydrophobicContact CD1-CG1 3.64Å; L40-V90 HydrophobicContact CD2-CB 3.86Å; L40-V90 HydrophobicContact CD2-CG1 3.83Å; L40-V90 HydrophobicContact CG-CG1 4.37Å; L40-V91 HydrophobicContact CD2-CG2 3.9Å
41R94.9Very high87.8Confident144 Ų14469.3 Ų69.354%0.54335%0.354SS..Hα-helixtrans-57.1-47.5176.5-176.1-172.6-66.9126.7-6.8110.9R37 N38 S45R37-R41 WeakPolarHBondContact O-CB 3.17Å; R37-R41 PolarHBondContact O-N 2.85Å; N38-R41 PolarHBondContact O-N 2.74Å; N38-R41 PolarHBondContact OD1-NH1 2.9Å; R41-S45 WeakPolarHBondContact O-CB 3.4Å; R41-S45 PolarHBondContact O-N 3.1Å; R41-S45 PolarHBondContact O-OG 2.85Å
42F94.4Very high85.4Confident74 Ų7467.3 Ų67.333%0.32537%0.365SS..Hα-helixtrans-65-47.8177.9176.4-90.3000112.1P26 V28 N38 L39 L40 L44 S45 R46P26-F42 HydrophobicContact CB-CE1 4.19Å; P26-F42 HydrophobicContact CB-CZ 4.25Å; V28-F42 HydrophobicContact CG2-CD1 3.74Å; V28-F42 HydrophobicContact CG2-CE1 3.87Å; N38-F42 PolarHBondContact O-N 3.46Å; L39-F42 PolarHBondContact O-N 2.67Å; L40-F42 VanDerWaalsContact C-N 3.31Å; L40-F42 PolarHBondContact O-N 2.86Å; F42-L44 VanDerWaalsContact C-N 3.35Å; F42-L44 PolarHBondContact O-N 3.22Å; F42-S45 PolarHBondContact O-N 3.46Å; F42-S45 PolarHBondContact O-OG 2.79Å; F42-R46 HydrophobicContact CD1-CG 4.35Å; F42-R46 HydrophobicContact CE1-CG 3.97Å; F42-R46 HydrophobicContact CE2-CG 4.3Å; F42-R46 HydrophobicContact CZ-CG 3.95Å; F42-R46 WeakPolarHBondContact O-CG 3.45Å; F42-R46 PolarHBondContact O-N 2.99Å; F42-R46 VanDerWaalsContact O-N 3.11Å
43A94.6Very high83.3Confident0 Ų072 Ų720%038%0.375CS..Hα-helixtrans-58.7-46.7-179.400000112.1V28 L39 L40 R46 L47 L72 F74 V91V28-A43 HydrophobicContact CG2-CB 4.46Å; L39-A43 VanDerWaalsContact O-CB 3.25Å; L39-A43 WeakPolarHBondContact O-CB 3.36Å; L39-A43 PolarHBondContact O-N 3.41Å; L40-A43 PolarHBondContact O-N 2.78Å; A43-R46 PolarHBondContact O-N 3.34Å; A43-L47 PolarHBondContact O-N 3.09Å; A43-L72 HydrophobicContact CB-CD2 3.47Å; A43-L72 VanDerWaalsContact CB-CD2 3.47Å; A43-F74 HydrophobicContact CB-CE1 4.48Å; A43-F74 HydrophobicContact CB-CZ 3.77Å; A43-V91 HydrophobicContact CB-CG2 3.78Å
44L93.3Very high80.8Confident9 Ų973.6 Ų73.65%0.04738%0.382CS..Hα-helixtrans-66.8-44.3178.4-66.2168.5000111.1L40 F42 R46 L47 E48 V91 R94 L95L40-L44 VanDerWaalsContact O-CB 3.31Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 WeakPolarHBondContact O-CD1 3.26Å; L40-L44 WeakPolarHBondContact O-CG 3.38Å; L40-L44 PolarHBondContact O-N 2.87Å; F42-L44 VanDerWaalsContact C-N 3.35Å; F42-L44 PolarHBondContact O-N 3.22Å; L44-R46 PolarHBondContact O-N 2.92Å; L44-R46 VanDerWaalsContact O-N 3.17Å; L44-L47 PolarHBondContact O-N 3.07Å; L44-E48 WeakPolarHBondContact O-CB 3.49Å; L44-E48 WeakPolarHBondContact O-CG 3.37Å; L44-E48 PolarHBondContact O-N 3.21Å; L44-V91 HydrophobicContact CD2-CG1 4.43Å; L44-V91 HydrophobicContact CD2-CG2 4.41Å; L44-R94 VanDerWaalsContact CD1-CD 3.44Å; L44-R94 HydrophobicContact CD2-CB 3.92Å; L44-L95 HydrophobicContact CD2-CD1 3.95Å; L44-L95 HydrophobicContact CD2-CD2 4.5Å; L44-L95 HydrophobicContact CD2-CG 3.94Å
45S90.9Very high78.1Confident37 Ų3781 Ų8126%0.25941%0.414SS..Hα-helixtrans-61.4-28.3178.871.60000113.2R41 F42 V49R41-S45 WeakPolarHBondContact O-CB 3.4Å; R41-S45 PolarHBondContact O-N 3.1Å; R41-S45 PolarHBondContact O-OG 2.85Å; F42-S45 PolarHBondContact O-N 3.46Å; F42-S45 PolarHBondContact O-OG 2.79Å; S45-V49 WeakPolarHBondContact O-CG2 3.28Å
46R89.8Confident75.3Confident47 Ų4782.6 Ų82.618%0.17742%0.423CS..Hα-helixtrans-77.6-37.9177.2-68.3-62.6-179.9168.40.9113.3P26 F42 A43 L44 G66 C69 L72P26-R46 HydrophobicContact CB-CG 4.11Å; P26-R46 HydrophobicContact CG-CB 4.01Å; P26-R46 HydrophobicContact CG-CG 4.1Å; F42-R46 HydrophobicContact CD1-CG 4.35Å; F42-R46 HydrophobicContact CE1-CG 3.97Å; F42-R46 HydrophobicContact CE2-CG 4.3Å; F42-R46 HydrophobicContact CZ-CG 3.95Å; F42-R46 WeakPolarHBondContact O-CG 3.45Å; F42-R46 PolarHBondContact O-N 2.99Å; F42-R46 VanDerWaalsContact O-N 3.11Å; A43-R46 PolarHBondContact O-N 3.34Å; L44-R46 PolarHBondContact O-N 2.92Å; L44-R46 VanDerWaalsContact O-N 3.17Å; R46-G66 PolarHBondContact NH1-O 3.18Å; R46-C69 PolarHBondContact O-N 2.98Å; R46-L72 HydrophobicContact CB-CD1 4.43Å
47L87.4Confident72.7Confident0 Ų088.9 Ų88.90%045%0.451CS..Hα-helixtrans-84.8-42.6-178.9-68.6171000111.5A43 L44 V49 L72 V91 L95 L98 R140A43-L47 PolarHBondContact O-N 3.09Å; L44-L47 PolarHBondContact O-N 3.07Å; L47-V49 PolarHBondContact O-N 3.01Å; L47-L72 HydrophobicContact CD1-CB 4.01Å; L47-L72 HydrophobicContact CD1-CD2 3.82Å; L47-L72 HydrophobicContact CD2-CB 3.98Å; L47-L72 HydrophobicContact CG-CB 4.08Å; L47-L72 HydrophobicContact CG-CD2 4.36Å; L47-V91 HydrophobicContact CD1-CG1 3.69Å; L47-L95 HydrophobicContact CB-CD1 3.42Å; L47-L95 VanDerWaalsContact CB-CD1 3.42Å; L47-L95 HydrophobicContact CD1-CD1 3.83Å; L47-L95 HydrophobicContact CG-CD1 4.29Å; L47-L98 HydrophobicContact CD1-CD1 4.2Å; L47-R140 PolarHBondContact O-NE 2.64Å; L47-R140 PolarHBondContact O-NH1 3.17Å; L47-R140 PolarHBondContact O-NH2 3.46Å
48E79Confident70.3Confident88 Ų8883.9 Ų83.941%0.41146%0.456SS..Hα-helixtrans-63.7-36.2-173.3-76172176.100114.3L44 G50 L51 L95L44-E48 WeakPolarHBondContact O-CB 3.49Å; L44-E48 WeakPolarHBondContact O-CG 3.37Å; L44-E48 PolarHBondContact O-N 3.21Å; E48-G50 PolarHBondContact O-N 3.38Å; E48-L51 PolarHBondContact O-N 3.25Å; E48-L95 HydrophobicContact CG-CD1 4.32Å; E48-L95 HydrophobicContact CG-CD2 3.62Å
49V61.2Low67.5Low59 Ų5989.4 Ų89.436%0.35848%0.479SS..G310 helixtrans-64.8-12.8-171.9178.30000113.1S45 L47 L51 A68S45-V49 WeakPolarHBondContact O-CG2 3.28Å; L47-V49 PolarHBondContact O-N 3.01Å; V49-L51 PolarHBondContact O-N 3.46Å; V49-A68 HydrophobicContact CB-CB 3.79Å; V49-A68 HydrophobicContact CG1-CB 3.97Å
50G52.8Low64.8Low49 Ų4996.8 Ų96.851%0.50551%0.513SS..G310 helixtrans-73.5-2.9173.500000114.5E48E48-G50 PolarHBondContact O-N 3.38Å
51L48.9Very low62.5Low143 Ų143101 Ų10175%0.74954%0.541SS*.G310 helixtrans-98.4-8.6179.6-77.7160.8000114.3E48 V49E48-L51 PolarHBondContact O-N 3.25Å; V49-L51 PolarHBondContact O-N 3.46Å
52G46Very low60.4Low59 Ų5996.5 Ų96.561%0.60854%0.54SS*.SBendtrans-144.320.2-163.200000117.8
53R44.7Very low57.9Low197 Ų19799.6 Ų99.674%0.74357%0.567SS**  trans-130.541.3176-88.3-170.3160.2164.5-4.4114
54A41.4Very low55.7Low98 Ų98103.6 Ų103.681%0.8160%0.595SS**SBendtrans-90.1108.3145.900000105.7
55Q39Very low53.9Low184 Ų184106.8 Ų106.886%0.8662%0.616SS**SBendtrans68.9102.2-173.6-83.2164.9-8.300116.2
56E37.9Very low52.3Low180 Ų180106.4 Ų106.484%0.84162%0.619SS**  -178107121.5-96173.6-164.400107.7
57E42.2Very low51Low207 Ų207108.9 Ų108.997%0.96764%0.641SS**  trans-79.4129.8172-65.6-173.2150.400108.9
58G47.5Very low50.1Low75 Ų75110.6 Ų110.677%0.77366%0.655SS**  trans117.67616400000115.9
59E38.2Very low50.2Low192 Ų192106.9 Ų106.990%0.89764%0.639SS**  trans-159.3138.5146.4-133.8175.8154.800111.3
60E39.4Very low51.4Low176 Ų176106.4 Ų106.482%0.82264%0.638SS**  trans-53.9152.7-166.4-71.9-78.2121.100116.7G62E60-G62 PolarHBondContact O-N 3.4Å; E60-G62 VanDerWaalsContact O-N 3.16Å
61P49.7Very low53.3Low102 Ų102105.6 Ų105.666%0.66262%0.621SS**  trans-85.397.2-170.634.9-31.2000111.6
62G50.6Low55.5Low50 Ų5098.8 Ų98.852%0.51559%0.585SS.*SBendtrans-61.5169.8145.300000110E60 S64E60-G62 PolarHBondContact O-N 3.4Å; E60-G62 VanDerWaalsContact O-N 3.16Å; G62-S64 VanDerWaalsContact C-N 3.35Å; G62-S64 WeakPolarHBondContact O-CA 3.47Å; G62-S64 PolarHBondContact O-N 2.92Å; G62-S64 PolarHBondContact O-OG 2.92Å
63P42.1Very low57.9Low139 Ų13996.3 Ų96.390%0.90356%0.558SS**SBendtrans-58.598.1-177.125.2-32.7000109.7P65P63-P65 WeakPolarHBondContact O-CD 3.37Å
64S48.5Very low60.4Low85 Ų8587 Ų8759%0.59452%0.523SS*.  trans-65.3122.1-161.8-630000109.6G62 G66G62-S64 VanDerWaalsContact C-N 3.35Å; G62-S64 WeakPolarHBondContact O-CA 3.47Å; G62-S64 PolarHBondContact O-N 2.92Å; G62-S64 PolarHBondContact O-OG 2.92Å; S64-G66 PolarHBondContact O-N 3.21Å
65P54.6Low63.1Low75 Ų7582.7 Ų82.749%0.48749%0.487SS..  trans-60.6115.215927-26.6000104.6P63P63-P65 WeakPolarHBondContact O-CD 3.37Å
66G58.4Low65.8Low30 Ų3074.3 Ų74.331%0.30945%0.449SS..  trans-51179.417700000113.4R46 S64R46-G66 PolarHBondContact NH1-O 3.18Å; S64-G66 PolarHBondContact O-N 3.21Å
67P61.2Low68.6Low98 Ų9866.2 Ų66.264%0.63641%0.413SS*.SBendtrans-50.7148.3-166.522.5-33.9000112.7C69P67-C69 PolarHBondContact O-N 3.33Å; P67-C69 PolarHBondContact O-SG 2.8Å
68A68Low71Confident37 Ų3757.4 Ų57.431%0.30638%0.377SS..  trans-57.7135.4172.100000109.8V49V49-A68 HydrophobicContact CB-CB 3.79Å; V49-A68 HydrophobicContact CG1-CB 3.97Å
69C81.1Confident73.2Confident10 Ų1064.3 Ų64.37%0.06838%0.38CS..  trans-112.4139.5-177.3-56.40000109.8P26 R46 P67 Q71P26-C69 WeakPolarHBondContact CD-SG 3.42Å; P26-C69 HydrophobicContact CG-CB 3.97Å; R46-C69 PolarHBondContact O-N 2.98Å; P67-C69 PolarHBondContact O-N 3.33Å; P67-C69 PolarHBondContact O-SG 2.8Å; C69-Q71 WeakPolarHBondContact CB-O 3.32Å; C69-Q71 PolarHBondContact O-N 2.9Å
70S88.1Confident76Confident49 Ų4955.3 Ų55.334%0.34334%0.338SS..SBendtrans-69.2-18.4170.9-66.90000112.3S139 R140 E141S70-S139 WeakPolarHBondContact O-CA 3.32Å; S70-R140 PolarHBondContact O-N 2.82Å; S70-E141 VanDerWaalsContact CB-OE1 3.32Å; S70-E141 WeakPolarHBondContact CB-OE1 3.46Å; S70-E141 PolarHBondContact OG-OE1 3.07Å
71Q92.7Very high78.7Confident31 Ų3148.3 Ų48.315%0.14531%0.307CS..EExtended strand (participates in β ladder)trans-132.4153.8-171.8-59.5-175.9-2.100112T25 P26 C69 L137 L138T25-Q71 HydrophobicContact CG2-CB 4.02Å; P26-Q71 VanDerWaalsContact CD-O 3.31Å; P26-Q71 WeakPolarHBondContact CD-O 3.41Å; C69-Q71 WeakPolarHBondContact CB-O 3.32Å; C69-Q71 PolarHBondContact O-N 2.9Å; Q71-L137 HydrophobicContact CB-CD1 4.2Å; Q71-L138 CarbonylContact C-O 3.57Å; Q71-L138 VanDerWaalsContact CA-O 3.26Å; Q71-L138 WeakPolarHBondContact CA-O 3.46Å
72L94.9Very high81Confident0 Ų047.5 Ų47.50%030%0.304CS..EExtended strand (participates in β ladder)trans-147.7134.2176.9-179.778.6000109.4P26 V28 A43 R46 L47 F74 L138P26-L72 HydrophobicContact CB-CD1 3.87Å; P26-L72 HydrophobicContact CG-CD1 3.61Å; V28-L72 HydrophobicContact CG2-CD1 3.67Å; V28-L72 HydrophobicContact CG2-CD2 4.3Å; V28-L72 HydrophobicContact CG2-CG 4.17Å; A43-L72 HydrophobicContact CB-CD2 3.47Å; A43-L72 VanDerWaalsContact CB-CD2 3.47Å; R46-L72 HydrophobicContact CB-CD1 4.43Å; L47-L72 HydrophobicContact CD1-CB 4.01Å; L47-L72 HydrophobicContact CD1-CD2 3.82Å; L47-L72 HydrophobicContact CD2-CB 3.98Å; L47-L72 HydrophobicContact CG-CB 4.08Å; L47-L72 HydrophobicContact CG-CD2 4.36Å; L72-F74 HydrophobicContact CD2-CD2 4.32Å; L72-F74 HydrophobicContact CD2-CE2 3.52Å; L72-F74 HydrophobicContact CD2-CZ 3.83Å; L72-F74 HydrophobicContact CG-CE2 4.32Å; L72-L138 PolarHBondContact N-O 2.93Å; L72-L138 PolarHBondContact O-N 3.44Å
73L96.3Very high83.2Confident8 Ų847.1 Ų47.14%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-109.6124.3-179.8-174.762.5000110.8F18 L21 P26 E27 V28 W135 L137F18-L73 HydrophobicContact CD2-CD1 3.65Å; F18-L73 HydrophobicContact CD2-CD2 4.49Å; F18-L73 HydrophobicContact CE2-CD1 3.61Å; F18-L73 HydrophobicContact CG-CD1 4.48Å; F18-L73 HydrophobicContact CZ-CD1 4.4Å; L21-L73 HydrophobicContact CD1-CD2 4.11Å; P26-L73 PolarHBondContact O-N 3.07Å; E27-L73 CarbonylContact C-O 3.58Å; E27-L73 WeakPolarHBondContact CA-O 3.44Å; E27-L73 HydrophobicContact CG-CB 4.42Å; E27-L73 HydrophobicContact CG-CD2 4.25Å; E27-L73 HydrophobicContact CG-CG 4.36Å; V28-L73 PolarHBondContact N-O 3.1Å; L73-W135 HydrophobicContact CD1-CB 4.48Å; L73-W135 HydrophobicContact CD1-CE3 4.22Å; L73-W135 HydrophobicContact CD2-CE3 3.72Å; L73-W135 HydrophobicContact CD2-CZ3 3.81Å; L73-W135 HydrophobicContact CG-CE3 4.04Å; L73-W135 HydrophobicContact CG-CZ3 4.47Å; L73-L137 HydrophobicContact CD1-CB 4.24Å
74F97.4Very high85.9Confident0 Ų040.5 Ų40.50%025%0.246CC..EExtended strand (participates in β ladder)trans-96.6135.1165.3-72.6-87.6000110.1V28 V30 A43 L72 C87 A88 V91 W135 I136 L138V28-F74 HydrophobicContact CB-CD1 3.58Å; V28-F74 HydrophobicContact CB-CE1 3.69Å; V28-F74 HydrophobicContact CB-CG 4.29Å; V28-F74 HydrophobicContact CB-CZ 4.48Å; V28-F74 HydrophobicContact CG1-CD1 3.71Å; V28-F74 HydrophobicContact CG1-CE1 3.56Å; V28-F74 HydrophobicContact CG2-CD1 4.32Å; V28-F74 HydrophobicContact CG2-CE1 4.05Å; V28-F74 HydrophobicContact CG2-CZ 4.4Å; V28-F74 WeakPolarHBondContact O-CA 3.46Å; V30-F74 HydrophobicContact CG2-CD1 4.01Å; A43-F74 HydrophobicContact CB-CE1 4.48Å; A43-F74 HydrophobicContact CB-CZ 3.77Å; L72-F74 HydrophobicContact CD2-CD2 4.32Å; L72-F74 HydrophobicContact CD2-CE2 3.52Å; L72-F74 HydrophobicContact CD2-CZ 3.83Å; L72-F74 HydrophobicContact CG-CE2 4.32Å; F74-C87 HydrophobicContact CD1-CB 4.23Å; F74-C87 HydrophobicContact CE1-CB 3.67Å; F74-C87 HydrophobicContact CZ-CB 4.15Å; F74-A88 HydrophobicContact CD2-CB 4.18Å; F74-A88 HydrophobicContact CE2-CB 4.37Å; F74-V91 HydrophobicContact CE2-CG2 4.35Å; F74-V91 HydrophobicContact CZ-CG2 3.99Å; F74-W135 CarbonylContact O-C 3.49Å; F74-W135 VanDerWaalsContact O-CA 3.3Å; F74-W135 WeakPolarHBondContact O-CA 3.36Å; F74-I136 HydrophobicContact CB-CB 4.26Å; F74-I136 PolarHBondContact N-O 3.2Å; F74-I136 PolarHBondContact O-N 2.72Å; F74-L138 HydrophobicContact CD2-CD1 4.35Å; F74-L138 HydrophobicContact CE2-CD1 3.91Å
75S96.8Very high88.2Confident9 Ų939.9 Ų39.96%0.06324%0.235CC..EExtended strand (participates in β ladder)trans-130.3138.6174.168.10000111E27 V28 V30 V134 W135E27-S75 WeakPolarHBondContact OE1-CB 3.33Å; E27-S75 PolarHBondContact OE1-OG 2.7Å; V28-S75 PolarHBondContact O-N 2.95Å; V30-S75 PolarHBondContact N-O 2.84Å; S75-V134 WeakPolarHBondContact CA-O 3.37Å; S75-W135 VanDerWaalsContact CB-CE3 3.45Å; S75-W135 VanDerWaalsContact CB-CZ3 3.49Å
76A96.7Very high90.2Very high7 Ų739.5 Ų39.56%0.05823%0.231CC..EExtended strand (participates in β ladder)trans-156.7154.8177.600000112.1V30 A80 V81 A84 A133 V134V30-A76 HydrophobicContact CB-CB 4.07Å; A76-A80 HydrophobicContact CB-CB 4.12Å; A76-V81 HydrophobicContact CB-CG2 4.5Å; A76-A84 HydrophobicContact CB-CB 3.55Å; A76-A133 CarbonylContact O-C 3.58Å; A76-A133 WeakPolarHBondContact O-CA 3.43Å; A76-A133 WeakPolarHBondContact O-CB 3.46Å; A76-V134 HydrophobicContact CB-CG1 4.16Å; A76-V134 PolarHBondContact N-O 3.17Å; A76-V134 PolarHBondContact O-N 2.8Å
77S95.4Very high92.1Very high11 Ų1138.1 Ų38.18%0.07722%0.216CC..EExtended strand (participates in β ladder)trans-135.1156.7174.456.70000111.5R79 A80 P132S77-R79 PolarHBondContact O-N 2.88Å; S77-A80 PolarHBondContact O-N 2.84Å; S77-P132 CarbonylContact C-O 3.54Å; S77-P132 VanDerWaalsContact CA-O 3.28Å; S77-P132 WeakPolarHBondContact CA-O 3.35Å
78G93.8Very high93.8Very high21 Ų2133.4 Ų33.422%0.21619%0.186CC..G310 helixtrans55.7-126.4176.500000112.9A80 V81 P132G78-A80 PolarHBondContact O-N 2.89Å; G78-V81 WeakPolarHBondContact O-CB 3.38Å; G78-V81 VanDerWaalsContact O-CG2 3.31Å; G78-V81 WeakPolarHBondContact O-CG2 3.5Å; G78-V81 PolarHBondContact O-N 3.04Å; G78-P132 PolarHBondContact N-O 3.32Å
79R93.9Very high95.1Very high221 Ų22134 Ų3483%0.83418%0.183SC*.G310 helixtrans-68-18.7-175.5-70.8178.5141.7-134.9-5.8113.9D32 S77 V81D32-R79 WeakPolarHBondContact OD1-CB 3.39Å; S77-R79 PolarHBondContact O-N 2.88Å; R79-V81 VanDerWaalsContact C-N 3.33Å
80A95.7Very high95.8Very high2 Ų235 Ų352%0.01719%0.188CC..G310 helixtrans-80.6-12.3-18000000113.8V30 D32 A76 S77 G78 S82 K83 A84V30-A80 HydrophobicContact CG1-CB 4.35Å; V30-A80 VanDerWaalsContact O-CB 3.3Å; V30-A80 WeakPolarHBondContact O-CB 3.28Å; D32-A80 PolarHBondContact OD1-N 2.86Å; A76-A80 HydrophobicContact CB-CB 4.12Å; S77-A80 PolarHBondContact O-N 2.84Å; G78-A80 PolarHBondContact O-N 2.89Å; A80-S82 PolarHBondContact O-N 3.25Å; A80-K83 WeakPolarHBondContact O-CB 3.38Å; A80-K83 PolarHBondContact O-N 2.82Å; A80-K83 VanDerWaalsContact O-N 3.09Å; A80-A84 PolarHBondContact O-N 2.88Å
81V96.8Very high96.1Very high29 Ų2932.7 Ų32.718%0.17617%0.172CC..Hα-helixtrans-54.9-51.9-176.2168.10000112A76 G78 R79 K83 A84 I85 V134A76-V81 HydrophobicContact CB-CG2 4.5Å; G78-V81 WeakPolarHBondContact O-CB 3.38Å; G78-V81 VanDerWaalsContact O-CG2 3.31Å; G78-V81 WeakPolarHBondContact O-CG2 3.5Å; G78-V81 PolarHBondContact O-N 3.04Å; R79-V81 VanDerWaalsContact C-N 3.33Å; V81-K83 PolarHBondContact O-N 3.33Å; V81-A84 PolarHBondContact O-N 3.37Å; V81-A84 VanDerWaalsContact O-N 3.09Å; V81-I85 HydrophobicContact CG1-CD1 3.95Å; V81-I85 WeakPolarHBondContact O-CG1 3.47Å; V81-I85 PolarHBondContact O-N 3.37Å; V81-I85 VanDerWaalsContact O-N 3.07Å; V81-V134 HydrophobicContact CB-CG1 4.33Å; V81-V134 HydrophobicContact CG1-CB 4.27Å; V81-V134 HydrophobicContact CG1-CG1 3.89Å; V81-V134 HydrophobicContact CG2-CG1 4.19Å
82S97.3Very high96.1Very high85 Ų8531.4 Ų31.459%0.59417%0.166SC*.Hα-helixtrans-61.2-32.6-180-51.60000112.6A80 T86A80-S82 PolarHBondContact O-N 3.25Å; S82-T86 WeakPolarHBondContact O-CB 3.3Å; S82-T86 PolarHBondContact O-N 3.25Å; S82-T86 PolarHBondContact O-OG1 3.3Å
83K97.7Very high95.9Very high42 Ų4237.9 Ų37.918%0.18319%0.19CC..Hα-helixtrans-68.5-41.6176.7-168.8-171.4-58.4174.20111.2V30 R31 D32 S34 I36 L39 A80 V81 T86 C87V30-K83 HydrophobicContact CG1-CB 3.91Å; V30-K83 HydrophobicContact CG1-CD 3.64Å; V30-K83 HydrophobicContact CG1-CG 3.86Å; R31-K83 PolarHBondContact O-NZ 3.4Å; D32-K83 PolarHBondContact O-NZ 2.81Å; S34-K83 PolarHBondContact O-NZ 3.26Å; I36-K83 HydrophobicContact CD1-CG 4.19Å; I36-K83 HydrophobicContact CG1-CD 4.07Å; I36-K83 HydrophobicContact CG1-CG 3.83Å; L39-K83 HydrophobicContact CD1-CD 4.44Å; A80-K83 WeakPolarHBondContact O-CB 3.38Å; A80-K83 PolarHBondContact O-N 2.82Å; A80-K83 VanDerWaalsContact O-N 3.09Å; V81-K83 PolarHBondContact O-N 3.33Å; K83-T86 PolarHBondContact O-N 3.06Å; K83-C87 PolarHBondContact O-N 3.19Å; K83-C87 PolarHBondContact O-SG 3.48Å; K83-C87 VanDerWaalsContact O-SG 3.39Å
84A98Very high95.7Very high1 Ų144.9 Ų44.91%0.00822%0.216CC..Hα-helixtrans-64.3-43.6176.600000112.3V30 A76 A80 V81 T86 C87 A88 V134V30-A84 HydrophobicContact CB-CB 3.99Å; V30-A84 HydrophobicContact CG1-CB 4.3Å; V30-A84 HydrophobicContact CG2-CB 3.8Å; A76-A84 HydrophobicContact CB-CB 3.55Å; A80-A84 PolarHBondContact O-N 2.88Å; V81-A84 PolarHBondContact O-N 3.37Å; V81-A84 VanDerWaalsContact O-N 3.09Å; A84-T86 VanDerWaalsContact C-N 3.33Å; A84-T86 PolarHBondContact O-N 3.09Å; A84-C87 PolarHBondContact O-N 3.3Å; A84-A88 PolarHBondContact O-N 3.33Å; A84-V134 HydrophobicContact CB-CG1 4.37Å
85I97.2Very high95.4Very high72 Ų7245.7 Ų45.737%0.36922%0.22SC..Hα-helixtrans-58.3-48.8174.1-62.8166.7000109.7V81 C87 A88 E89 I136V81-I85 HydrophobicContact CG1-CD1 3.95Å; V81-I85 WeakPolarHBondContact O-CG1 3.47Å; V81-I85 PolarHBondContact O-N 3.37Å; V81-I85 VanDerWaalsContact O-N 3.07Å; I85-C87 VanDerWaalsContact C-N 3.31Å; I85-C87 PolarHBondContact O-N 3.39Å; I85-A88 PolarHBondContact O-N 3.34Å; I85-E89 HydrophobicContact CG2-CG 4.4Å; I85-E89 WeakPolarHBondContact O-CG 3.48Å; I85-E89 PolarHBondContact O-N 2.86Å; I85-I136 HydrophobicContact CG1-CD1 4.05Å
86T97.3Very high95.1Very high67 Ų6751.4 Ų51.441%0.41124%0.244SC..Hα-helixtrans-57.2-44.4177.2-57.80000111.8S82 K83 A84 E89 V90S82-T86 WeakPolarHBondContact O-CB 3.3Å; S82-T86 PolarHBondContact O-N 3.25Å; S82-T86 PolarHBondContact O-OG1 3.3Å; K83-T86 PolarHBondContact O-N 3.06Å; A84-T86 VanDerWaalsContact C-N 3.33Å; A84-T86 PolarHBondContact O-N 3.09Å; T86-E89 PolarHBondContact O-N 2.82Å; T86-V90 WeakPolarHBondContact O-CG2 3.3Å; T86-V90 PolarHBondContact O-N 2.78Å
87C97.7Very high94.8Very high0 Ų053 Ų530%026%0.261CS..Hα-helixtrans-61.7-46.6177.1-75.60000112L40 F74 K83 A84 I85 E89 V90 V91L40-C87 HydrophobicContact CD2-CB 4.15Å; L40-C87 WeakPolarHBondContact CD2-O 3.26Å; F74-C87 HydrophobicContact CD1-CB 4.23Å; F74-C87 HydrophobicContact CE1-CB 3.67Å; F74-C87 HydrophobicContact CZ-CB 4.15Å; K83-C87 PolarHBondContact O-N 3.19Å; K83-C87 PolarHBondContact O-SG 3.48Å; K83-C87 VanDerWaalsContact O-SG 3.39Å; A84-C87 PolarHBondContact O-N 3.3Å; I85-C87 VanDerWaalsContact C-N 3.31Å; I85-C87 PolarHBondContact O-N 3.39Å; C87-E89 PolarHBondContact O-N 3.34Å; C87-V90 PolarHBondContact O-N 3.17Å; C87-V91 WeakPolarHBondContact O-CG2 3.36Å; C87-V91 PolarHBondContact O-N 3.42Å
88A96.8Very high94.7Very high0 Ų052.6 Ų52.60%026%0.258CS..Hα-helixtrans-59.4-45.417700000111.5F74 A84 I85 V90 V91 K92 I136 L138F74-A88 HydrophobicContact CD2-CB 4.18Å; F74-A88 HydrophobicContact CE2-CB 4.37Å; A84-A88 PolarHBondContact O-N 3.33Å; I85-A88 PolarHBondContact O-N 3.34Å; A88-V90 VanDerWaalsContact C-N 3.33Å; A88-V90 PolarHBondContact O-N 3.41Å; A88-V91 PolarHBondContact O-N 2.9Å; A88-K92 WeakPolarHBondContact O-CG 3.31Å; A88-K92 PolarHBondContact O-N 2.91Å; A88-I136 HydrophobicContact CB-CD1 3.97Å; A88-I136 HydrophobicContact CB-CG2 4.08Å; A88-L138 HydrophobicContact CB-CD1 4.4Å
89E95.4Very high94.8Very high50 Ų5052.8 Ų52.823%0.23425%0.254CS..Hα-helixtrans-64-34.1177.8-68.6-50.5137.100113.5I85 T86 C87 K92 R93I85-E89 HydrophobicContact CG2-CG 4.4Å; I85-E89 WeakPolarHBondContact O-CG 3.48Å; I85-E89 PolarHBondContact O-N 2.86Å; T86-E89 PolarHBondContact O-N 2.82Å; C87-E89 PolarHBondContact O-N 3.34Å; E89-K92 VanDerWaalsContact CD-NZ 3.29Å; E89-K92 WeakPolarHBondContact OE1-CE 3.34Å; E89-K92 IonicContact OE1-NZ 3.47Å; E89-K92 PolarHBondContact OE1-NZ 3.07Å; E89-K92 WeakPolarHBondContact OE2-CE 3.3Å; E89-K92 IonicContact OE2-NZ 3.2Å; E89-K92 PolarHBondContact OE2-NZ 2.88Å; E89-R93 WeakPolarHBondContact O-CB 3.46Å; E89-R93 WeakPolarHBondContact O-CG 3.31Å; E89-R93 PolarHBondContact O-N 3.24Å; E89-R93 VanDerWaalsContact O-N 3.08Å; E89-R93 PolarHBondContact O-NE 3.05Å
90V95.2Very high94.9Very high30 Ų3043 Ų4318%0.18222%0.217CC..Hα-helixtrans-71.4-40.8174.7173.30000110.9L40 T86 C87 A88 R93 R94L40-V90 HydrophobicContact CD1-CB 4.2Å; L40-V90 HydrophobicContact CD1-CG1 3.64Å; L40-V90 HydrophobicContact CD2-CB 3.86Å; L40-V90 HydrophobicContact CD2-CG1 3.83Å; L40-V90 HydrophobicContact CG-CG1 4.37Å; T86-V90 WeakPolarHBondContact O-CG2 3.3Å; T86-V90 PolarHBondContact O-N 2.78Å; C87-V90 PolarHBondContact O-N 3.17Å; A88-V90 VanDerWaalsContact C-N 3.33Å; A88-V90 PolarHBondContact O-N 3.41Å; V90-R93 PolarHBondContact O-N 3.4Å; V90-R94 WeakPolarHBondContact O-CG 3.47Å; V90-R94 PolarHBondContact O-N 3.11Å; V90-R94 VanDerWaalsContact O-N 3.1Å
91V94.9Very high94.9Very high0 Ų043.1 Ų43.10%022%0.217CC..Hα-helixtrans-60.9-50.4176.1171.20000110.4L40 A43 L44 L47 F74 C87 A88 R93 R94 L95 L98 L138L40-V91 HydrophobicContact CD2-CG2 3.9Å; A43-V91 HydrophobicContact CB-CG2 3.78Å; L44-V91 HydrophobicContact CD2-CG1 4.43Å; L44-V91 HydrophobicContact CD2-CG2 4.41Å; L47-V91 HydrophobicContact CD1-CG1 3.69Å; F74-V91 HydrophobicContact CE2-CG2 4.35Å; F74-V91 HydrophobicContact CZ-CG2 3.99Å; C87-V91 WeakPolarHBondContact O-CG2 3.36Å; C87-V91 PolarHBondContact O-N 3.42Å; A88-V91 PolarHBondContact O-N 2.9Å; V91-R93 VanDerWaalsContact C-N 3.26Å; V91-R93 PolarHBondContact O-N 2.98Å; V91-R94 PolarHBondContact O-N 3.32Å; V91-R94 VanDerWaalsContact O-N 3.07Å; V91-L95 HydrophobicContact CG1-CD1 4.16Å; V91-L95 PolarHBondContact O-N 3.18Å; V91-L98 HydrophobicContact CG1-CD1 3.9Å; V91-L138 HydrophobicContact CB-CD1 4.04Å; V91-L138 HydrophobicContact CG1-CD1 3.74Å
92K93.1Very high94.9Very high4 Ų443.4 Ų43.42%0.01722%0.22CC..Hα-helixtrans-60.5-33176.9-69.4-168.4-59.5-178.80113.6A88 E89 L95 L98 L138 Y156A88-K92 WeakPolarHBondContact O-CG 3.31Å; A88-K92 PolarHBondContact O-N 2.91Å; E89-K92 VanDerWaalsContact CD-NZ 3.29Å; E89-K92 WeakPolarHBondContact OE1-CE 3.34Å; E89-K92 IonicContact OE1-NZ 3.47Å; E89-K92 PolarHBondContact OE1-NZ 3.07Å; E89-K92 WeakPolarHBondContact OE2-CE 3.3Å; E89-K92 IonicContact OE2-NZ 3.2Å; E89-K92 PolarHBondContact OE2-NZ 2.88Å; K92-L95 CarbonylContact C-O 3.51Å; K92-L95 CarbonylContact O-C 3.55Å; K92-L98 HydrophobicContact CG-CB 4.36Å; K92-L98 HydrophobicContact CG-CD1 4.37Å; K92-L138 HydrophobicContact CD-CD2 3.9Å; K92-L138 HydrophobicContact CG-CD1 4.16Å; K92-L138 HydrophobicContact CG-CD2 3.81Å; K92-Y156 HydrophobicContact CB-CD1 4.25Å; K92-Y156 HydrophobicContact CB-CE1 3.38Å; K92-Y156 HydrophobicContact CD-CE1 4.09Å; K92-Y156 HydrophobicContact CG-CE1 4.31Å; K92-Y156 VanDerWaalsContact O-CE2 3.27Å; K92-Y156 WeakPolarHBondContact O-CE2 3.19Å; K92-Y156 PolarHBondContact O-OH 3.42Å
93R91.5Very high94.9Very high137 Ų13742.7 Ų42.752%0.51720%0.204SC..Hα-helixtrans-67.9-36174.3-85.7-177.3-88.5-170.6-9.6112.9E89 V90 V91 K96 Y156E89-R93 WeakPolarHBondContact O-CB 3.46Å; E89-R93 WeakPolarHBondContact O-CG 3.31Å; E89-R93 PolarHBondContact O-N 3.24Å; E89-R93 VanDerWaalsContact O-N 3.08Å; E89-R93 PolarHBondContact O-NE 3.05Å; V90-R93 PolarHBondContact O-N 3.4Å; V91-R93 VanDerWaalsContact C-N 3.26Å; V91-R93 PolarHBondContact O-N 2.98Å; R93-K96 VanDerWaalsContact O-CE 3.26Å; R93-K96 WeakPolarHBondContact O-CE 3.18Å; R93-K96 PolarHBondContact O-NZ 2.81Å; R93-Y156 HydrophobicContact CG-CD1 4.26Å; R93-Y156 HydrophobicContact CG-CG 4.14Å
94R91.5Very high94.8Very high155 Ų15547.6 Ų47.659%0.58523%0.231SC*.Hα-helixtrans-80.7-37.1178.1-68.5177.9-178.9-147.2-1.9112.4L44 V90 V91L44-R94 VanDerWaalsContact CD1-CD 3.44Å; L44-R94 HydrophobicContact CD2-CB 3.92Å; V90-R94 WeakPolarHBondContact O-CG 3.47Å; V90-R94 PolarHBondContact O-N 3.11Å; V90-R94 VanDerWaalsContact O-N 3.1Å; V91-R94 PolarHBondContact O-N 3.32Å; V91-R94 VanDerWaalsContact O-N 3.07Å
95L90.8Very high94.6Very high17 Ų1748.9 Ų48.99%0.08924%0.242CC..SBendtrans-113.497.4-179.6-56.2-178.7000109.2L44 L47 E48 V91 K92 L98L44-L95 HydrophobicContact CD2-CD1 3.95Å; L44-L95 HydrophobicContact CD2-CD2 4.5Å; L44-L95 HydrophobicContact CD2-CG 3.94Å; L47-L95 HydrophobicContact CB-CD1 3.42Å; L47-L95 VanDerWaalsContact CB-CD1 3.42Å; L47-L95 HydrophobicContact CD1-CD1 3.83Å; L47-L95 HydrophobicContact CG-CD1 4.29Å; E48-L95 HydrophobicContact CG-CD1 4.32Å; E48-L95 HydrophobicContact CG-CD2 3.62Å; V91-L95 HydrophobicContact CG1-CD1 4.16Å; V91-L95 PolarHBondContact O-N 3.18Å; K92-L95 CarbonylContact C-O 3.51Å; K92-L95 CarbonylContact O-C 3.55Å; L95-L98 HydrophobicContact CB-CD1 3.81Å; L95-L98 HydrophobicContact CB-CG 4.19Å; L95-L98 HydrophobicContact CD1-CD1 4.47Å; L95-L98 WeakPolarHBondContact O-CG 3.19Å
96K89.8Confident94.4Very high128 Ų12851.5 Ų51.556%0.55725%0.253SS*.THydrogen-bonded Turntrans-69.9158.2177-51.9-56.3-171.3-169.60110.1R93 Y156R93-K96 VanDerWaalsContact O-CE 3.26Å; R93-K96 WeakPolarHBondContact O-CE 3.18Å; R93-K96 PolarHBondContact O-NZ 2.81Å; K96-Y156 HydrophobicContact CD-CD2 3.63Å; K96-Y156 HydrophobicContact CD-CE2 3.55Å
97G90.8Very high94.2Very high41 Ų4148.5 Ų48.542%0.42323%0.234SC..THydrogen-bonded Turntrans83.15.7177.100000115.5P153G97-P153 WeakPolarHBondContact O-CG 3.42Å
98L94.2Very high93.9Very high3 Ų350.2 Ų50.22%0.01625%0.245CC..  trans-76.8126177-64.1-179.9000112L47 V91 K92 L95 L138 S139 R140 P153L47-L98 HydrophobicContact CD1-CD1 4.2Å; V91-L98 HydrophobicContact CG1-CD1 3.9Å; K92-L98 HydrophobicContact CG-CB 4.36Å; K92-L98 HydrophobicContact CG-CD1 4.37Å; L95-L98 HydrophobicContact CB-CD1 3.81Å; L95-L98 HydrophobicContact CB-CG 4.19Å; L95-L98 HydrophobicContact CD1-CD1 4.47Å; L95-L98 WeakPolarHBondContact O-CG 3.19Å; L98-L138 HydrophobicContact CD1-CB 4.35Å; L98-L138 HydrophobicContact CD1-CD1 4.2Å; L98-S139 CarbonylContact C-O 3.51Å; L98-S139 WeakPolarHBondContact CA-O 3.49Å; L98-R140 HydrophobicContact CD2-CG 3.66Å; L98-P153 WeakPolarHBondContact O-CA 3.48Å
99H95.1Very high93.7Very high25 Ų2550.6 Ų50.612%0.11625%0.247CC..EExtended strand (participates in β ladder)trans-75.1142.7164.2-66.8-99.4000109L138 S139 L143 Y150 P153H99-L138 CarbonylContact O-C 3.57Å; H99-L138 WeakPolarHBondContact O-CA 3.49Å; H99-S139 PolarHBondContact N-O 2.83Å; H99-S139 PolarHBondContact O-N 3.43Å; H99-L143 HydrophobicContact CB-CD1 4.08Å; H99-L143 HydrophobicContact CB-CG 4.03Å; H99-Y150 HydrophobicContact CB-CE2 4.2Å; H99-Y150 PolarHBondContact CE1-OH 2.9Å; H99-Y150 AromaticContact ND1-CE2 3.63Å; H99-Y150 AromaticContact ND1-CZ 3.63Å; H99-Y150 PolarHBondContact ND1-OH 2.9Å; H99-P153 VanDerWaalsContact CE1-CD 3.41Å; H99-P153 WeakPolarHBondContact CE1-CD 3.39Å; H99-P153 WeakPolarHBondContact ND1-CD 3.21Å; H99-P153 WeakPolarHBondContact NE2-CG 3.46Å
100Q96.1Very high93.7Very high15 Ų1550.4 Ų50.47%0.0725%0.248CC..EExtended strand (participates in β ladder)trans-122141.3176.5170175.6-35.400110.6T102 I136 L137 L138 Y150 Q151Q100-T102 PolarHBondContact NE2-OG1 2.76Å; Q100-I136 HydrophobicContact CG-CG2 3.78Å; Q100-L137 CarbonylContact C-O 3.37Å; Q100-L137 VanDerWaalsContact CA-O 3.28Å; Q100-L137 WeakPolarHBondContact CA-O 3.4Å; Q100-L138 HydrophobicContact CB-CD2 3.9Å; Q100-L138 HydrophobicContact CG-CD2 4.14Å; Q100-Y150 CarbonylContact O-C 3.54Å; Q100-Y150 WeakPolarHBondContact O-CA 3.46Å; Q100-Y150 WeakPolarHBondContact O-CD2 3.43Å; Q100-Q151 HydrophobicContact CB-CB 4.17Å; Q100-Q151 PolarHBondContact N-O 3.22Å; Q100-Q151 PolarHBondContact O-N 2.94Å
101L96.3Very high93.6Very high4 Ų449.5 Ų49.52%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-131.6122.6167.2178.258.4000108.8F18 L137 L143 Q147 P148F18-L101 HydrophobicContact CD1-CD2 4.49Å; F18-L101 HydrophobicContact CE1-CB 4.29Å; F18-L101 HydrophobicContact CE1-CD2 3.68Å; F18-L101 HydrophobicContact CE1-CG 3.8Å; F18-L101 HydrophobicContact CZ-CG 4.22Å; L101-L137 HydrophobicContact CB-CB 4.35Å; L101-L137 PolarHBondContact N-O 3.47Å; L101-L137 PolarHBondContact O-N 2.79Å; L101-L143 HydrophobicContact CB-CD1 3.69Å; L101-Q147 HydrophobicContact CD1-CB 4.05Å; L101-Q147 VanDerWaalsContact CD2-OE1 3.26Å; L101-P148 WeakPolarHBondContact CD1-O 3.47Å
102T97.1Very high93.4Very high36 Ų3649.9 Ų49.922%0.22124%0.244CC..EExtended strand (participates in β ladder)trans-113.1126.6-176-52.80000110.7Q100 V134 W135 I136 G149Q100-T102 PolarHBondContact NE2-OG1 2.76Å; T102-V134 HydrophobicContact CG2-CG2 3.77Å; T102-W135 CarbonylContact C-O 3.58Å; T102-W135 WeakPolarHBondContact CA-O 3.25Å; T102-I136 HydrophobicContact CG2-CG1 4.23Å; T102-G149 PolarHBondContact N-O 2.81Å
103R96.4Very high93.4Very high70 Ų7052 Ų5226%0.26425%0.251SS..EExtended strand (participates in β ladder)trans-120.3134.4175-65-175.8179.4-179.61.7109.9P17 F18 W135P17-R103 HydrophobicContact CB-CB 4.19Å; P17-R103 HydrophobicContact CG-CB 3.68Å; P17-R103 HydrophobicContact CG-CG 4.45Å; P17-R103 PolarHBondContact O-NH1 2.72Å; F18-R103 HydrophobicContact CE1-CG 4.23Å; F18-R103 HydrophobicContact CE2-CB 4.22Å; F18-R103 HydrophobicContact CE2-CG 4.18Å; F18-R103 HydrophobicContact CZ-CB 4.27Å; F18-R103 HydrophobicContact CZ-CG 3.8Å; R103-W135 PolarHBondContact N-O 2.62Å; R103-W135 PolarHBondContact O-N 3.32Å
104L95.6Very high93.3Very high145 Ų14549.7 Ų49.776%0.75925%0.246SC*.EExtended strand (participates in β ladder)trans-96144.4174.6-59.5-175.8000109.9A133 V134L104-A133 WeakPolarHBondContact CA-O 3.33Å; L104-V134 HydrophobicContact CD2-CB 4.34Å; L104-V134 HydrophobicContact CD2-CG2 4Å
105A93.7Very high93.3Very high28 Ų2843.6 Ų43.623%0.23123%0.227CC..EExtended strand (participates in β ladder)trans-144.9175.4178.300000110.7A133A105-A133 HydrophobicContact CB-CB 4.2Å; A105-A133 PolarHBondContact N-O 3.25Å; A105-A133 PolarHBondContact O-N 3Å
106Q92.7Very high93.1Very high127 Ų12747.8 Ų47.859%0.59325%0.249SC*.EExtended strand (participates in β ladder)trans-115.3134.3169.2-65.3-176.5-3800108.7L131Q106-L131 WeakPolarHBondContact CA-O 2.97Å
107S92.9Very high93Very high4 Ų448.5 Ų48.53%0.02825%0.254CS..EExtended strand (participates in β ladder)trans-108.9143.8169.4172.30000108.8K130 L131S107-K130 CarbonylContact O-C 3.58Å; S107-K130 WeakPolarHBondContact O-CA 3.28Å; S107-L131 PolarHBondContact N-O 3.05Å; S107-L131 PolarHBondContact O-N 3Å
108T92.9Very high92.1Very high36 Ų3651.9 Ų51.922%0.22128%0.279CS..EExtended strand (participates in β ladder)trans-98.8135179.1-59.50000110.1Q12 L110 S128Q12-T108 VanDerWaalsContact CB-O 3.3Å; Q12-T108 WeakPolarHBondContact CB-O 3.22Å; Q12-T108 HydrophobicContact CG-CG2 4.4Å; Q12-T108 PolarHBondContact N-O 2.92Å; T108-L110 HydrophobicContact CG2-CD2 4.27Å; T108-S128 WeakPolarHBondContact CG2-OG 3.47Å
109V92.9Very high91.2Very high7 Ų755.6 Ų55.64%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-119.5130.3172.9178.70000108.9V9 V10 E11 R129 L131V9-V109 HydrophobicContact CG1-CG1 3.19Å; V10-V109 WeakPolarHBondContact O-CA 3.48Å; E11-V109 HydrophobicContact CB-CG2 4.46Å; E11-V109 HydrophobicContact CG-CG2 3.99Å; V109-R129 PolarHBondContact N-O 2.92Å; V109-R129 PolarHBondContact O-N 3.41Å; V109-L131 HydrophobicContact CB-CD1 4.42Å; V109-L131 HydrophobicContact CG2-CD1 3.37Å; V109-L131 HydrophobicContact CG2-CG 3.79Å
110L93.7Very high90.4Very high47 Ų4756.8 Ų56.825%0.24633%0.331CS..EExtended strand (participates in β ladder)trans-99.3117.2175.3-59.7-179.1000108.9V9 V10 Q12 T108 T126V9-L110 WeakPolarHBondContact CA-O 3.27Å; V10-L110 HydrophobicContact CB-CB 4.43Å; V10-L110 PolarHBondContact N-O 3.44Å; V10-L110 PolarHBondContact O-N 3.03Å; Q12-L110 HydrophobicContact CG-CD1 4.4Å; Q12-L110 HydrophobicContact CG-CG 4.3Å; T108-L110 HydrophobicContact CG2-CD2 4.27Å; L110-T126 HydrophobicContact CB-CG2 4.11Å; L110-T126 HydrophobicContact CD1-CG2 4.5Å; L110-T126 HydrophobicContact CD2-CG2 4.21Å
111E93.4Very high89.7Confident11 Ų1159.6 Ų59.65%0.05136%0.364CS..EExtended strand (participates in β ladder)trans-96.1117.7170.2-59.3-172.2167.300108.4V9 W113 T126 V127 R129V9-E111 HydrophobicContact CG1-CG 4.48Å; V9-E111 HydrophobicContact CG2-CG 4.28Å; E111-W113 VanDerWaalsContact O-CD1 3.29Å; E111-W113 WeakPolarHBondContact OE2-CZ2 3.39Å; E111-W113 PolarHBondContact OE2-NE1 3.18Å; E111-T126 WeakPolarHBondContact O-CA 3.13Å; E111-V127 PolarHBondContact N-O 2.9Å; E111-V127 PolarHBondContact O-N 3.05Å; E111-R129 VanDerWaalsContact CD-NH1 3.29Å; E111-R129 WeakPolarHBondContact OE1-CD 3.47Å; E111-R129 IonicContact OE1-CZ 3.32Å; E111-R129 VanDerWaalsContact OE1-CZ 3.25Å; E111-R129 IonicContact OE1-NE 3.25Å; E111-R129 PolarHBondContact OE1-NE 3.23Å; E111-R129 IonicContact OE1-NH1 3.52Å; E111-R129 PolarHBondContact OE1-NH1 3.26Å; E111-R129 IonicContact OE2-CZ 2.69Å; E111-R129 IonicContact OE2-NE 3.62Å; E111-R129 PolarHBondContact OE2-NE 3.18Å; E111-R129 IonicContact OE2-NH1 3.24Å; E111-R129 PolarHBondContact OE2-NH1 2.94Å; E111-R129 VanDerWaalsContact OE2-NH1 3.17Å; E111-R129 IonicContact OE2-NH2 3.19Å; E111-R129 PolarHBondContact OE2-NH2 3.38Å
112V92.1Very high89.2Confident8 Ų862.8 Ų62.85%0.04838%0.381CS..EExtended strand (participates in β ladder)trans-95.3128.6174.1-175.30000108.4A7 R8 L125 T126A7-V112 PolarHBondContact N-O 2.8Å; R8-V112 HydrophobicContact CG-CB 3.69Å; R8-V112 HydrophobicContact CG-CG2 3.93Å; R8-V112 PolarHBondContact N-O 2.92Å; R8-V112 PolarHBondContact O-N 3.42Å; V112-L125 CarbonylContact C-O 3.52Å; V112-L125 WeakPolarHBondContact CA-O 3.19Å; V112-T126 HydrophobicContact CG2-CG2 4.46Å
113W91.8Very high88.8Confident48 Ų4867.5 Ų67.518%0.18241%0.405CS..EExtended strand (participates in β ladder)trans-117.5130.4-177.4-64.677.5000108.8Y4 S5 R6 E111 S124 L125Y4-W113 HydrophobicContact CD1-CB 4.22Å; S5-W113 VanDerWaalsContact C-CE3 3.43Å; S5-W113 CarbonylContact O-C 3.57Å; S5-W113 VanDerWaalsContact O-CA 3.27Å; S5-W113 WeakPolarHBondContact O-CA 3.31Å; R6-W113 HydrophobicContact CB-CD2 4.04Å; R6-W113 HydrophobicContact CB-CE3 3.91Å; R6-W113 HydrophobicContact CB-CH2 3.77Å; R6-W113 HydrophobicContact CB-CZ2 3.89Å; R6-W113 HydrophobicContact CB-CZ3 3.78Å; R6-W113 HydrophobicContact CG-CD2 4.44Å; R6-W113 HydrophobicContact CG-CH2 4.45Å; R6-W113 HydrophobicContact CG-CZ2 4.09Å; R6-W113 VanDerWaalsContact N-CE3 3.33Å; E111-W113 VanDerWaalsContact O-CD1 3.29Å; E111-W113 WeakPolarHBondContact OE2-CZ2 3.39Å; E111-W113 PolarHBondContact OE2-NE1 3.18Å; W113-S124 CarbonylContact O-C 3.57Å; W113-S124 WeakPolarHBondContact O-CA 3.37Å; W113-L125 HydrophobicContact CB-CB 4.22Å; W113-L125 PolarHBondContact N-O 3.34Å; W113-L125 PolarHBondContact O-N 2.84Å
114E90.8Very high88.3Confident88 Ų8867.8 Ų67.841%0.41142%0.418SS..EExtended strand (participates in β ladder)trans-108.3143179.6-72.1173.5-172.500109.3Y4 S5 A7 R8Y4-E114 WeakPolarHBondContact CA-O 3.19Å; S5-E114 PolarHBondContact N-O 2.9Å; S5-E114 PolarHBondContact O-N 3.21Å; A7-E114 HydrophobicContact CB-CB 4.2Å; A7-E114 VanDerWaalsContact CB-CD 3.45Å; A7-E114 HydrophobicContact CB-CG 3.7Å; R8-E114 IonicContact NH1-OE1 2.72Å
115P91.3Very high88.1Confident27 Ų2763.8 Ų63.818%0.17540%0.397CS..EExtended strand (participates in β ladder)trans-57.4142.3174-18.227.7000111.1N3 Y4 E117 L122N3-P115 WeakPolarHBondContact O-CA 3.43Å; Y4-P115 HydrophobicContact CD1-CG 4.47Å; Y4-P115 HydrophobicContact CE1-CB 4.36Å; Y4-P115 HydrophobicContact CE1-CG 3.91Å; P115-E117 VanDerWaalsContact C-N 3.3Å; P115-L122 HydrophobicContact CB-CB 3.86Å; P115-L122 HydrophobicContact CB-CD1 4.41Å; P115-L122 HydrophobicContact CG-CB 3.73Å; P115-L122 WeakPolarHBondContact CG-O 3.33Å
116L86.8Confident88Confident106 Ų10666.6 Ų66.656%0.55541%0.411SS*.SBendtrans-66.6-35.1175.4-70.1173.2000112E2 N3E2-L116 WeakPolarHBondContact O-CD1 3.36Å; N3-L116 PolarHBondContact O-N 3.46Å
117E85.9Confident88Confident142 Ų14262.9 Ų62.966%0.66440%0.397SS*.  trans-111.4107.2178.6-69.6-178.8-174.800110.1P115 G119 A120P115-E117 VanDerWaalsContact C-N 3.3Å; E117-G119 PolarHBondContact O-N 3.07Å; E117-A120 HydrophobicContact CB-CB 3.92Å; E117-A120 WeakPolarHBondContact O-CB 3.31Å; E117-A120 PolarHBondContact O-N 2.74Å; E117-A120 VanDerWaalsContact O-N 3.12Å
118A73.3Confident88.1Confident113 Ų11366.2 Ų66.293%0.93442%0.421SS*.THydrogen-bonded Turntrans-62.1-15.2-179.200000114.1
119G74.8Confident88.1Confident81 Ų8170.3 Ų70.384%0.83543%0.432SS*.THydrogen-bonded Turntrans-100.7-1178.500000115.2E117 G121E117-G119 PolarHBondContact O-N 3.07Å; G119-G121 PolarHBondContact O-N 3.17Å
120A78.7Confident88.1Confident49 Ų4976.7 Ų76.741%0.40546%0.459SS..SBendtrans-75.90.5-177.800000113.8E117 L122E117-A120 HydrophobicContact CB-CB 3.92Å; E117-A120 WeakPolarHBondContact O-CB 3.31Å; E117-A120 PolarHBondContact O-N 2.74Å; E117-A120 VanDerWaalsContact O-N 3.12Å; A120-L122 HydrophobicContact CB-CD1 4.12Å; A120-L122 HydrophobicContact CB-CG 4.05Å; A120-L122 PolarHBondContact O-N 3.45Å
121G81.2Confident88.2Confident74 Ų7476.9 Ų76.976%0.76346%0.46SS*.  trans67.421.3-177.100000113.8G119G119-G121 PolarHBondContact O-N 3.17Å
122L85.6Confident88.2Confident72 Ų7280.6 Ų80.638%0.37749%0.485SS..PPolyproline II helixtrans-92.2139.4179.9-64.9177.6000111.1N3 Y4 P115 A120N3-L122 HydrophobicContact CB-CD1 4.04Å; Y4-L122 HydrophobicContact CE2-CD1 4.43Å; P115-L122 HydrophobicContact CB-CB 3.86Å; P115-L122 HydrophobicContact CB-CD1 4.41Å; P115-L122 HydrophobicContact CG-CB 3.73Å; P115-L122 WeakPolarHBondContact CG-O 3.33Å; A120-L122 HydrophobicContact CB-CD1 4.12Å; A120-L122 HydrophobicContact CB-CG 4.05Å; A120-L122 PolarHBondContact O-N 3.45Å
123D87.6Confident88.4Confident134 Ų13480.4 Ų80.472%0.71749%0.485SS*.PPolyproline II helixtrans-86.2154.5176.3-69.3-39.4000112.3Y4Y4-D123 WeakPolarHBondContact CE1-O 3.13Å; Y4-D123 PolarHBondContact OH-O 3.31Å
124S87.5Confident88.6Confident76 Ų7678.3 Ų78.353%0.53148%0.477SS..PPolyproline II helixtrans-64.1136.3171.466.60000111.6W113W113-S124 CarbonylContact O-C 3.57Å; W113-S124 WeakPolarHBondContact O-CA 3.37Å
125L90.5Very high89Confident61 Ų6174.5 Ų74.532%0.31946%0.459SS..EExtended strand (participates in β ladder)trans-104.5138-179.5-65.2173.7000111.1M1 Y4 V112 W113M1-L125 HydrophobicContact CE-CD1 3.88Å; M1-L125 HydrophobicContact SD-CD1 3.74Å; Y4-L125 HydrophobicContact CD1-CD1 3.93Å; Y4-L125 HydrophobicContact CD1-CG 4.22Å; Y4-L125 HydrophobicContact CD2-CD1 3.95Å; Y4-L125 HydrophobicContact CE1-CB 4.36Å; Y4-L125 HydrophobicContact CE1-CD1 3.59Å; Y4-L125 HydrophobicContact CE1-CG 3.62Å; Y4-L125 HydrophobicContact CE2-CD1 3.6Å; Y4-L125 HydrophobicContact CE2-CG 4.43Å; Y4-L125 HydrophobicContact CG-CD1 4.1Å; V112-L125 CarbonylContact C-O 3.52Å; V112-L125 WeakPolarHBondContact CA-O 3.19Å; W113-L125 HydrophobicContact CB-CB 4.22Å; W113-L125 PolarHBondContact N-O 3.34Å; W113-L125 PolarHBondContact O-N 2.84Å
126T92.1Very high89.3Confident87 Ų8773.4 Ų73.453%0.53445%0.452SS..EExtended strand (participates in β ladder)trans-115.4117.7171.9-59.50000109.9L110 E111 V112L110-T126 HydrophobicContact CB-CG2 4.11Å; L110-T126 HydrophobicContact CD1-CG2 4.5Å; L110-T126 HydrophobicContact CD2-CG2 4.21Å; E111-T126 WeakPolarHBondContact O-CA 3.13Å; V112-T126 HydrophobicContact CG2-CG2 4.46Å
127V93.1Very high89.8Confident49 Ų4968.6 Ų68.630%0.29743%0.426SS..EExtended strand (participates in β ladder)trans-106.9125.2179.2-179.50000109.5E111 R129E111-V127 PolarHBondContact N-O 2.9Å; E111-V127 PolarHBondContact O-N 3.05Å; V127-R129 HydrophobicContact CG1-CG 4.38Å
128S93.6Very high90.2Very high75 Ų7561.8 Ų61.852%0.52440%0.395SS..EExtended strand (participates in β ladder)trans-90.6127.5175.2-177.50000110.9T108T108-S128 WeakPolarHBondContact CG2-OG 3.47Å
129R93.7Very high91.2Very high122 Ų12256.4 Ų56.446%0.4635%0.35SS..EExtended strand (participates in β ladder)trans-122.5135.4175.4-65.1-174.9177.1-178.5-5.7109.9V109 E111 V127V109-R129 PolarHBondContact N-O 2.92Å; V109-R129 PolarHBondContact O-N 3.41Å; E111-R129 VanDerWaalsContact CD-NH1 3.29Å; E111-R129 WeakPolarHBondContact OE1-CD 3.47Å; E111-R129 IonicContact OE1-CZ 3.32Å; E111-R129 VanDerWaalsContact OE1-CZ 3.25Å; E111-R129 IonicContact OE1-NE 3.25Å; E111-R129 PolarHBondContact OE1-NE 3.23Å; E111-R129 IonicContact OE1-NH1 3.52Å; E111-R129 PolarHBondContact OE1-NH1 3.26Å; E111-R129 IonicContact OE2-CZ 2.69Å; E111-R129 IonicContact OE2-NE 3.62Å; E111-R129 PolarHBondContact OE2-NE 3.18Å; E111-R129 IonicContact OE2-NH1 3.24Å; E111-R129 PolarHBondContact OE2-NH1 2.94Å; E111-R129 VanDerWaalsContact OE2-NH1 3.17Å; E111-R129 IonicContact OE2-NH2 3.19Å; E111-R129 PolarHBondContact OE2-NH2 3.38Å; V127-R129 HydrophobicContact CG1-CG 4.38Å
130K93.8Very high92Very high141 Ų14156 Ų5661%0.61332%0.323SS*.EExtended strand (participates in β ladder)trans-92.7127174.2-62.9-172.6177.7-174.30109.8S107S107-K130 CarbonylContact O-C 3.58Å; S107-K130 WeakPolarHBondContact O-CA 3.28Å
131L93.9Very high92.6Very high51 Ų5158.4 Ų58.427%0.26733%0.326SS..EExtended strand (participates in β ladder)trans-105.9142.5173.7-61.5-173.3000110.3Q106 S107 V109Q106-L131 WeakPolarHBondContact CA-O 2.97Å; S107-L131 PolarHBondContact N-O 3.05Å; S107-L131 PolarHBondContact O-N 3Å; V109-L131 HydrophobicContact CB-CD1 4.42Å; V109-L131 HydrophobicContact CG2-CD1 3.37Å; V109-L131 HydrophobicContact CG2-CG 3.79Å
132P94.8Very high93.1Very high88 Ų8859.9 Ų59.957%0.57132%0.322SS*.EExtended strand (participates in β ladder)trans-63.9141.3168.829.1-34.2000109.5S77 G78S77-P132 CarbonylContact C-O 3.54Å; S77-P132 VanDerWaalsContact CA-O 3.28Å; S77-P132 WeakPolarHBondContact CA-O 3.35Å; G78-P132 PolarHBondContact N-O 3.32Å
133A95.7Very high93.4Very high5 Ų557.6 Ų57.64%0.04131%0.31CS..EExtended strand (participates in β ladder)trans-130146175.300000110.4A76 L104 A105A76-A133 CarbonylContact O-C 3.58Å; A76-A133 WeakPolarHBondContact O-CA 3.43Å; A76-A133 WeakPolarHBondContact O-CB 3.46Å; L104-A133 WeakPolarHBondContact CA-O 3.33Å; A105-A133 HydrophobicContact CB-CB 4.2Å; A105-A133 PolarHBondContact N-O 3.25Å; A105-A133 PolarHBondContact O-N 3Å
134V96.9Very high93.7Very high4 Ų455 Ų552%0.02430%0.297CS..EExtended strand (participates in β ladder)trans-124.2140.917770.80000109.5S75 A76 V81 A84 T102 L104 I136S75-V134 WeakPolarHBondContact CA-O 3.37Å; A76-V134 HydrophobicContact CB-CG1 4.16Å; A76-V134 PolarHBondContact N-O 3.17Å; A76-V134 PolarHBondContact O-N 2.8Å; V81-V134 HydrophobicContact CB-CG1 4.33Å; V81-V134 HydrophobicContact CG1-CB 4.27Å; V81-V134 HydrophobicContact CG1-CG1 3.89Å; V81-V134 HydrophobicContact CG2-CG1 4.19Å; A84-V134 HydrophobicContact CB-CG1 4.37Å; T102-V134 HydrophobicContact CG2-CG2 3.77Å; L104-V134 HydrophobicContact CD2-CB 4.34Å; L104-V134 HydrophobicContact CD2-CG2 4Å; V134-I136 HydrophobicContact CG2-CD1 4.25Å; V134-I136 HydrophobicContact CG2-CG1 3.81Å
135W97.5Very high94Very high8 Ų855.2 Ų55.23%0.0330%0.296CS..EExtended strand (participates in β ladder)trans-127.3121.4172.1-61.379.7000108.5C14 P17 F18 E27 L73 F74 S75 T102 R103C14-W135 HydrophobicContact CB-CZ2 4.22Å; P17-W135 VanDerWaalsContact CD-CD1 3.49Å; P17-W135 VanDerWaalsContact CD-CE2 3.47Å; P17-W135 VanDerWaalsContact CD-CG 3.42Å; P17-W135 HydrophobicContact CG-CB 3.94Å; P17-W135 HydrophobicContact CG-CD2 4.19Å; P17-W135 HydrophobicContact CG-CG 3.68Å; F18-W135 HydrophobicContact CD2-CB 4.14Å; F18-W135 HydrophobicContact CE2-CB 3.57Å; E27-W135 WeakPolarHBondContact OE1-CZ3 3.42Å; L73-W135 HydrophobicContact CD1-CB 4.48Å; L73-W135 HydrophobicContact CD1-CE3 4.22Å; L73-W135 HydrophobicContact CD2-CE3 3.72Å; L73-W135 HydrophobicContact CD2-CZ3 3.81Å; L73-W135 HydrophobicContact CG-CE3 4.04Å; L73-W135 HydrophobicContact CG-CZ3 4.47Å; F74-W135 CarbonylContact O-C 3.49Å; F74-W135 VanDerWaalsContact O-CA 3.3Å; F74-W135 WeakPolarHBondContact O-CA 3.36Å; S75-W135 VanDerWaalsContact CB-CE3 3.45Å; S75-W135 VanDerWaalsContact CB-CZ3 3.49Å; T102-W135 CarbonylContact C-O 3.58Å; T102-W135 WeakPolarHBondContact CA-O 3.25Å; R103-W135 PolarHBondContact N-O 2.62Å; R103-W135 PolarHBondContact O-N 3.32Å
136I97.6Very high94.1Very high4 Ų460.3 Ų60.32%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-121.4108.5-176.1-49.6173.7000107.9F74 I85 A88 Q100 T102 V134 L138F74-I136 HydrophobicContact CB-CB 4.26Å; F74-I136 PolarHBondContact N-O 3.2Å; F74-I136 PolarHBondContact O-N 2.72Å; I85-I136 HydrophobicContact CG1-CD1 4.05Å; A88-I136 HydrophobicContact CB-CD1 3.97Å; A88-I136 HydrophobicContact CB-CG2 4.08Å; Q100-I136 HydrophobicContact CG-CG2 3.78Å; T102-I136 HydrophobicContact CG2-CG1 4.23Å; V134-I136 HydrophobicContact CG2-CD1 4.25Å; V134-I136 HydrophobicContact CG2-CG1 3.81Å; I136-L138 HydrophobicContact CG2-CD2 4.17Å
137L96.9Very high94.2Very high4 Ų459 Ų592%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-86.4127.4170.8-179.268.6000108.6F18 L21 Q71 L73 Q100 L101 L143F18-L137 HydrophobicContact CD1-CB 4.44Å; F18-L137 HydrophobicContact CD1-CD2 4.17Å; F18-L137 HydrophobicContact CE1-CB 3.73Å; F18-L137 HydrophobicContact CE1-CD2 3.94Å; F18-L137 HydrophobicContact CE1-CG 4.46Å; F18-L137 HydrophobicContact CE2-CB 4.37Å; F18-L137 HydrophobicContact CZ-CB 3.69Å; L21-L137 HydrophobicContact CD1-CD1 4.27Å; L21-L137 HydrophobicContact CD2-CD1 4.08Å; L21-L137 HydrophobicContact CD2-CD2 3.95Å; Q71-L137 HydrophobicContact CB-CD1 4.2Å; L73-L137 HydrophobicContact CD1-CB 4.24Å; Q100-L137 CarbonylContact C-O 3.37Å; Q100-L137 VanDerWaalsContact CA-O 3.28Å; Q100-L137 WeakPolarHBondContact CA-O 3.4Å; L101-L137 HydrophobicContact CB-CB 4.35Å; L101-L137 PolarHBondContact N-O 3.47Å; L101-L137 PolarHBondContact O-N 2.79Å; L137-L143 HydrophobicContact CD2-CD1 4.14Å; L137-L143 HydrophobicContact CD2-CD2 4.23Å
138L96Very high94.2Very high0 Ų062.1 Ų62.10%033%0.328CS..EExtended strand (participates in β ladder)trans-109.1129.9167.3-60.7-177000108.6Q71 L72 F74 A88 V91 K92 L98 H99 Q100 I136Q71-L138 CarbonylContact C-O 3.57Å; Q71-L138 VanDerWaalsContact CA-O 3.26Å; Q71-L138 WeakPolarHBondContact CA-O 3.46Å; L72-L138 PolarHBondContact N-O 2.93Å; L72-L138 PolarHBondContact O-N 3.44Å; F74-L138 HydrophobicContact CD2-CD1 4.35Å; F74-L138 HydrophobicContact CE2-CD1 3.91Å; A88-L138 HydrophobicContact CB-CD1 4.4Å; V91-L138 HydrophobicContact CB-CD1 4.04Å; V91-L138 HydrophobicContact CG1-CD1 3.74Å; K92-L138 HydrophobicContact CD-CD2 3.9Å; K92-L138 HydrophobicContact CG-CD1 4.16Å; K92-L138 HydrophobicContact CG-CD2 3.81Å; L98-L138 HydrophobicContact CD1-CB 4.35Å; L98-L138 HydrophobicContact CD1-CD1 4.2Å; H99-L138 CarbonylContact O-C 3.57Å; H99-L138 WeakPolarHBondContact O-CA 3.49Å; Q100-L138 HydrophobicContact CB-CD2 3.9Å; Q100-L138 HydrophobicContact CG-CD2 4.14Å; I136-L138 HydrophobicContact CG2-CD2 4.17Å
139S94.2Very high94.2Very high0 Ų060.6 Ų60.60%032%0.323CS..EExtended strand (participates in β ladder)trans-131.8139.8-178.1179.90000111.1S70 L98 H99 E141S70-S139 WeakPolarHBondContact O-CA 3.32Å; L98-S139 CarbonylContact C-O 3.51Å; L98-S139 WeakPolarHBondContact CA-O 3.49Å; H99-S139 PolarHBondContact N-O 2.83Å; H99-S139 PolarHBondContact O-N 3.43Å; S139-E141 WeakPolarHBondContact CB-O 3.12Å; S139-E141 PolarHBondContact OG-N 2.83Å; S139-E141 VanDerWaalsContact OG-N 3.1Å; S139-E141 PolarHBondContact OG-O 2.82Å
140R91.3Very high94.3Very high71 Ų7157.2 Ų57.227%0.26831%0.311SS..SBendtrans-77.3-28.8168.1-69.9-179.6164.7-153.4-10.6112.3L47 S70 L98L47-R140 PolarHBondContact O-NE 2.64Å; L47-R140 PolarHBondContact O-NH1 3.17Å; L47-R140 PolarHBondContact O-NH2 3.46Å; S70-R140 PolarHBondContact O-N 2.82Å; L98-R140 HydrophobicContact CD2-CG 3.66Å
141E91.4Very high94.3Very high100 Ų10054.4 Ų54.447%0.46730%0.3SS..SBendtrans-88.1148.4177.9-70.3164.1-147.200110S70 S139 L143S70-E141 VanDerWaalsContact CB-OE1 3.32Å; S70-E141 WeakPolarHBondContact CB-OE1 3.46Å; S70-E141 PolarHBondContact OG-OE1 3.07Å; S139-E141 WeakPolarHBondContact CB-O 3.12Å; S139-E141 PolarHBondContact OG-N 2.83Å; S139-E141 VanDerWaalsContact OG-N 3.1Å; S139-E141 PolarHBondContact OG-O 2.82Å; E141-L143 PolarHBondContact O-N 3.23Å
142P91.7Very high94.3Very high105 Ų10554.6 Ų54.668%0.68231%0.309SS*.PPolyproline II helixtrans-54.7133.8175.3-2534.5000112.1
143L92.4Very high94.1Very high25 Ų2552.7 Ų52.713%0.13130%0.297CS..PPolyproline II helixtrans-99.1161.2167.9-55.3173.3000108.6H99 L101 L137 E141 P145 Y150H99-L143 HydrophobicContact CB-CD1 4.08Å; H99-L143 HydrophobicContact CB-CG 4.03Å; L101-L143 HydrophobicContact CB-CD1 3.69Å; L137-L143 HydrophobicContact CD2-CD1 4.14Å; L137-L143 HydrophobicContact CD2-CD2 4.23Å; E141-L143 PolarHBondContact O-N 3.23Å; L143-P145 WeakPolarHBondContact O-CD 3.3Å; L143-Y150 HydrophobicContact CB-CD2 3.94Å; L143-Y150 HydrophobicContact CB-CE2 3.85Å
144D93Very high93.1Very high80 Ų8054.3 Ų54.343%0.42831%0.313SS..  trans-59115.5174.9176.99000110.8E146 Q147D144-E146 PolarHBondContact O-N 2.66Å; D144-E146 PolarHBondContact OD1-N 3.41Å; D144-Q147 HydrophobicContact CB-CG 3.92Å; D144-Q147 PolarHBondContact O-N 3.4Å
145P92.8Very high91.3Very high80 Ų8064.8 Ų64.852%0.51935%0.352SS..THydrogen-bonded Turntrans-65.7-22.9-177.8-21.634.5000114.5L143 Q147 Y150L143-P145 WeakPolarHBondContact O-CD 3.3Å; P145-Q147 VanDerWaalsContact C-N 3.27Å; P145-Q147 PolarHBondContact O-N 2.85Å; P145-Y150 VanDerWaalsContact CA-CD1 3.46Å; P145-Y150 HydrophobicContact CB-CD1 4.06Å; P145-Y150 HydrophobicContact CB-CE1 3.81Å; P145-Y150 HydrophobicContact CG-CE1 4.34Å
146E94Very high89.4Confident168 Ų16866.3 Ų66.379%0.78536%0.359SS*.THydrogen-bonded Turntrans-82.1-8.7-177.1-58.4-59115.200112.1D144D144-E146 PolarHBondContact O-N 2.66Å; D144-E146 PolarHBondContact OD1-N 3.41Å
147Q92.9Very high87.4Confident58 Ų5872.3 Ų72.327%0.27139%0.391SS..SBendtrans-68.7135177.8-75.9-172.458.400111.8L101 D144 P145 G149 Y150L101-Q147 HydrophobicContact CD1-CB 4.05Å; L101-Q147 VanDerWaalsContact CD2-OE1 3.26Å; D144-Q147 HydrophobicContact CB-CG 3.92Å; D144-Q147 PolarHBondContact O-N 3.4Å; P145-Q147 VanDerWaalsContact C-N 3.27Å; P145-Q147 PolarHBondContact O-N 2.85Å; Q147-G149 PolarHBondContact O-N 2.77Å; Q147-Y150 VanDerWaalsContact O-CB 3.23Å; Q147-Y150 WeakPolarHBondContact O-CB 3.42Å; Q147-Y150 PolarHBondContact O-N 3.01Å; Q147-Y150 VanDerWaalsContact O-N 3.07Å
148P93.3Very high85.2Confident116 Ų11675.4 Ų75.475%0.75342%0.417SS*.THydrogen-bonded Turntrans-61.4132.1175.225.9-33.9000110.6L101 Y150L101-P148 WeakPolarHBondContact CD1-O 3.47Å; P148-Y150 VanDerWaalsContact C-N 3.34Å
149G94.4Very high83.2Confident42 Ų4282.3 Ų82.343%0.43345%0.453SS..THydrogen-bonded Turntrans84.25.8-177.700000114.5T102 Q147T102-G149 PolarHBondContact N-O 2.81Å; Q147-G149 PolarHBondContact O-N 2.77Å
150Y95.8Very high81.1Confident51 Ų5193.5 Ų93.520%0.250%0.495CS..EExtended strand (participates in β ladder)trans-66.3142.6168.6174.7-103000111.4H99 Q100 L143 P145 Q147 P148 A152H99-Y150 HydrophobicContact CB-CE2 4.2Å; H99-Y150 PolarHBondContact CE1-OH 2.9Å; H99-Y150 AromaticContact ND1-CE2 3.63Å; H99-Y150 AromaticContact ND1-CZ 3.63Å; H99-Y150 PolarHBondContact ND1-OH 2.9Å; Q100-Y150 CarbonylContact O-C 3.54Å; Q100-Y150 WeakPolarHBondContact O-CA 3.46Å; Q100-Y150 WeakPolarHBondContact O-CD2 3.43Å; L143-Y150 HydrophobicContact CB-CD2 3.94Å; L143-Y150 HydrophobicContact CB-CE2 3.85Å; P145-Y150 VanDerWaalsContact CA-CD1 3.46Å; P145-Y150 HydrophobicContact CB-CD1 4.06Å; P145-Y150 HydrophobicContact CB-CE1 3.81Å; P145-Y150 HydrophobicContact CG-CE1 4.34Å; Q147-Y150 VanDerWaalsContact O-CB 3.23Å; Q147-Y150 WeakPolarHBondContact O-CB 3.42Å; Q147-Y150 PolarHBondContact O-N 3.01Å; Q147-Y150 VanDerWaalsContact O-N 3.07Å; P148-Y150 VanDerWaalsContact C-N 3.34Å; Y150-A152 HydrophobicContact CE1-CB 3.98Å
151Q94.7Very high79Confident82 Ų8292.6 Ų92.638%0.38350%0.503SS..EExtended strand (participates in β ladder)trans-138.3120172.5-178.6-179.919.500108.7Q100Q100-Q151 HydrophobicContact CB-CB 4.17Å; Q100-Q151 PolarHBondContact N-O 3.22Å; Q100-Q151 PolarHBondContact O-N 2.94Å
152A92.3Very high76.8Confident55 Ų5592.9 Ų92.946%0.45551%0.513SS..  trans-64.4156.3176.300000111.7Y150 G154Y150-A152 HydrophobicContact CE1-CB 3.98Å; A152-G154 PolarHBondContact O-N 3.26Å
153P92.2Very high74.4Confident49 Ų4997.8 Ų97.832%0.31853%0.527SS..  trans-58.4108.3172.7-20.130.4000110.2G97 L98 H99G97-P153 WeakPolarHBondContact O-CG 3.42Å; L98-P153 WeakPolarHBondContact O-CA 3.48Å; H99-P153 VanDerWaalsContact CE1-CD 3.41Å; H99-P153 WeakPolarHBondContact CE1-CD 3.39Å; H99-P153 WeakPolarHBondContact ND1-CD 3.21Å; H99-P153 WeakPolarHBondContact NE2-CG 3.46Å
154G74.7Confident72.4Confident38 Ų38100 Ų10039%0.39256%0.555SS.*  trans-108.8160-170.700000113.8A152 Y156A152-G154 PolarHBondContact O-N 3.26Å; G154-Y156 VanDerWaalsContact O-CD2 3.24Å; G154-Y156 WeakPolarHBondContact O-CD2 3.27Å; G154-Y156 WeakPolarHBondContact O-CE2 3.41Å; G154-Y156 PolarHBondContact O-N 2.91Å; G154-Y156 VanDerWaalsContact O-N 3.12Å
155R58.5Low70.1Confident224 Ų224100.4 Ų100.485%0.84557%0.571SS**  trans-71.1101.7170.1-74.8-176.5174177-1.3109.6D157 A158R155-D157 PolarHBondContact O-N 3.16Å; R155-A158 PolarHBondContact O-N 3.01Å
156Y57.9Low67.8Low41 Ų41102.2 Ų102.216%0.16159%0.585CS.*THydrogen-bonded Turntrans-57-9.4-178-56.9-75.1000116K92 R93 K96 G154K92-Y156 HydrophobicContact CB-CD1 4.25Å; K92-Y156 HydrophobicContact CB-CE1 3.38Å; K92-Y156 HydrophobicContact CD-CE1 4.09Å; K92-Y156 HydrophobicContact CG-CE1 4.31Å; K92-Y156 VanDerWaalsContact O-CE2 3.27Å; K92-Y156 WeakPolarHBondContact O-CE2 3.19Å; K92-Y156 PolarHBondContact O-OH 3.42Å; R93-Y156 HydrophobicContact CG-CD1 4.26Å; R93-Y156 HydrophobicContact CG-CG 4.14Å; K96-Y156 HydrophobicContact CD-CD2 3.63Å; K96-Y156 HydrophobicContact CD-CE2 3.55Å; G154-Y156 VanDerWaalsContact O-CD2 3.24Å; G154-Y156 WeakPolarHBondContact O-CD2 3.27Å; G154-Y156 WeakPolarHBondContact O-CE2 3.41Å; G154-Y156 PolarHBondContact O-N 2.91Å; G154-Y156 VanDerWaalsContact O-N 3.12Å
157D55.2Low65.2Low129 Ų12997 Ų9769%0.6958%0.577SS**THydrogen-bonded Turntrans-96.7-14.7-175.4-51.8-41.8000112.8R155 A161R155-D157 PolarHBondContact O-N 3.16Å; D157-A161 PolarHBondContact O-N 3.18Å
158A51.5Low62.9Low69 Ų69100.6 Ų100.657%0.5761%0.605SS**G310 helixtrans-79.6-22.5-169.500000114.8R155 W160R155-A158 PolarHBondContact O-N 3.01Å; A158-W160 VanDerWaalsContact C-N 3.29Å; A158-W160 PolarHBondContact O-N 2.86Å
159L52.4Low60.6Low145 Ų14598.6 Ų98.676%0.75961%0.605SS**G310 helixtrans-76.5-15.5-176.2-71.6169.6000113.8
160W51.1Low58Low236 Ų236102.7 Ų102.789%0.89462%0.624SS**G310 helixtrans-123.412175.9-59.7110.6000112.6A158 P162A158-W160 VanDerWaalsContact C-N 3.29Å; A158-W160 PolarHBondContact O-N 2.86Å; W160-P162 WeakPolarHBondContact O-CD 3.46Å
161A46.2Very low55.3Low51 Ų51111.5 Ų111.542%0.42166%0.657SS.*SBendtrans-63.5121.5167.200000106.6D157 E163D157-A161 PolarHBondContact O-N 3.18Å; A161-E163 PolarHBondContact O-N 2.69Å; A161-E163 VanDerWaalsContact O-N 3.16Å
162P45.1Very low52.8Low106 Ų106114.5 Ų114.569%0.68868%0.681SS**  trans-54.8128.3170.522.7-30.3000107.1W160 G164W160-P162 WeakPolarHBondContact O-CD 3.46Å; P162-G164 PolarHBondContact O-N 3.12Å
163E42.7Very low50.1Low209 Ų209115.4 Ų115.498%0.97770%0.696SS**THydrogen-bonded Turntrans-51.5109.9171.9-73-168.2132.600107.7A161A161-E163 PolarHBondContact O-N 2.69Å; A161-E163 VanDerWaalsContact O-N 3.16Å
164G49Very low47.8Very low70 Ų70119.4 Ų119.472%0.72272%0.722SS**THydrogen-bonded Turntrans147.3-14.3-174.300000116.2P162 S166P162-G164 PolarHBondContact O-N 3.12Å; G164-S166 PolarHBondContact O-N 3.06Å
165A45.2Very low46.5Very low90 Ų90129.1 Ų129.174%0.74475%0.746SS**  trans-84.921.9177.800000114.7G167A165-G167 PolarHBondContact O-N 3.34Å
166S44Very low45.7Very low117 Ų117130.2 Ų130.282%0.81875%0.751SS**  trans-9185.1166.463.30000109.7G164G164-S166 PolarHBondContact O-N 3.06Å
167G40Very low45.1Very low60 Ų60136.8 Ų136.862%0.61978%0.782SS**  trans-124.6133.9166.200000109.9A165 G169A165-G167 PolarHBondContact O-N 3.34Å; G167-G169 PolarHBondContact O-N 3.21Å
168P43.9Very low44.2Very low133 Ų133137 Ų13786%0.86479%0.788SS**  trans-71131178.631.6-32000108.8
169G45.1Very low43.4Very low73 Ų73137.1 Ų137.175%0.75380%0.797SS**  trans-67.1166.7179.400000113G167G167-G169 PolarHBondContact O-N 3.21Å
170P40Very low42.7Very low129 Ų129141.7 Ų141.784%0.83880%0.804SS**  trans-111.9118.1153.823.6-6.5000111.2
171R40.6Very low42.1Very low236 Ų236135.3 Ų135.389%0.89180%0.795SS**  trans-13.7129.6148.5-58168.881.6179.94.8115.6
172T41.8Very low41.8Very low145 Ų145143.6 Ų143.689%0.8982%0.816SS**  trans-5.8132.4147.341.80000119.4
173G35.2Very low42Very low74 Ų74146.5 Ų146.576%0.76382%0.82SS**  trans-162.9151158.900000111.8
174P43.7Very low42.4Very low132 Ų132142.2 Ų142.286%0.85781%0.81SS**  trans-98.4162.9-138.136.8-35000117.3
175R48.6Very low41.9Very low242 Ų242142.7 Ų142.791%0.91382%0.815SS**  trans-35.1137.3169.6-81.7172.7157.2168.9-5.6114.7
176R40.4Very low41.9Very low247 Ų247148.7 Ų148.793%0.93283%0.825SS**  trans-128.3130.5141.7-89.4-171.9173.4-146.5-0.5111.1
177H45.1Very low41.6Very low179 Ų179146.6 Ų146.683%0.82982%0.822SS**  trans-103.1115.7-178.9-166.3-69.2000107.3
178T36.9Very low41.7Very low133 Ų133157 Ų15782%0.81685%0.854SS**  trans-172.5109.6163.542.90000104.1
179G34Very low41.6Very low73 Ų73158.2 Ų158.275%0.75385%0.853SS**  cis118.8139.142.600000107.1
180R37.9Very low41.4Very low241 Ų241162.6 Ų162.691%0.90986%0.859SS**  trans103.691.5153.7-150.1166.8-174.2-175.7-0.3118.9
181S38.6Very low41.5Very low101 Ų101164.5 Ų164.571%0.70686%0.86SS**  63.5127.7118.7-58.80000123
182R39.6Very low41.5Very low226 Ų226160.3 Ų160.385%0.85386%0.858SS**  51.4138.6128.3-70.3-174171.6171.4-5.5118
183E48.8Very low41.5Very low166 Ų166161.3 Ų161.378%0.77686%0.856SS**  cis-172176.67.1-119.6-172.6116.200106.9
184P51.8Low41.9Very low119 Ų119167.1 Ų167.177%0.77386%0.862SS**  trans-89.3147.8-170.936-32.8000113.7
185G39.7Very low41.8Very low80 Ų80169.6 Ų169.683%0.82586%0.862SS**  trans-119.1119.4173.800000112.4
186K43.5Very low41.3Very low217 Ų217164 Ų16494%0.94386%0.859SS**  trans-66.1152.2171.1-82.5172.5163.7178.30112.6
187G38.9Very low41.4Very low73 Ų73157.1 Ų157.175%0.75385%0.852SS**  trans96.7104.5130.600000117.8
188Q41.5Very low41Very low277 Ų277155.1 Ų155.1100%1.29486%0.855SS**  -1590114-115.3170.266.200109.6

Retrieved 188 of 188 residues in 318.2 ms (Link to these results)