G4LVJ7_SCHMA Loading...

Ubiquitin-like protein 5

AlphaFold DB , UniProt , Accession G4LVJ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 73 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M83.4Confident89.8Confident153 Ų15364.2 Ų64.275%0.75433%0.329SS*.  0128.30-174.4174.2-73.700107.6K17 C18 N19M1-K17 HydrophobicContact CG-CB 4.22Å; M1-K17 HydrophobicContact SD-CB 4.05Å; M1-K17 HydrophobicContact SD-CD 4.13Å; M1-C18 CarbonylContact C-O 3.52Å; M1-C18 WeakPolarHBondContact CA-O 3.31Å; M1-N19 WeakPolarHBondContact CA-OD1 3.5Å
2I92.2Very high89.6Confident21 Ų2167.4 Ų67.411%0.10834%0.338CS..EExtended strand (participates in β ladder)trans-119149.4178.359173.8000108.7I4 K17 C18 L57 I62 D64I2-I4 HydrophobicContact CD1-CG2 4.1Å; I2-I4 HydrophobicContact CG1-CG2 4.39Å; I2-K17 WeakPolarHBondContact O-CA 3.42Å; I2-C18 WeakPolarHBondContact CG1-O 3.47Å; I2-C18 PolarHBondContact N-O 2.94Å; I2-C18 PolarHBondContact O-N 3.38Å; I2-L57 HydrophobicContact CD1-CD1 4.38Å; I2-I62 HydrophobicContact CD1-CG2 4.27Å; I2-I62 WeakPolarHBondContact CD1-O 3.5Å; I2-D64 WeakPolarHBondContact CA-OD1 3.25Å; I2-D64 HydrophobicContact CB-CB 4.24Å; I2-D64 HydrophobicContact CG2-CB 4.14Å
3E93.5Very high89.7Confident57 Ų5773.9 Ų73.927%0.26636%0.363SS..EExtended strand (participates in β ladder)trans-104.4120170.8-174173.4120.200109.5R15 I16 D64 G65E3-R15 HydrophobicContact CG-CB 4.49Å; E3-R15 IonicContact OE1-CZ 3.85Å; E3-R15 IonicContact OE1-NH1 2.82Å; E3-R15 PolarHBondContact OE1-NH1 3.42Å; E3-I16 WeakPolarHBondContact CA-O 3.27Å; E3-D64 PolarHBondContact N-OD1 2.97Å; E3-G65 WeakPolarHBondContact O-CA 3.48Å; E3-G65 PolarHBondContact O-N 3.19Å
4I93Very high89.8Confident0 Ų069.6 Ų69.60%034%0.343CS..EExtended strand (participates in β ladder)trans-112.1152.2174.868.3169.6000110.4I2 R15 I16 L27 I62 L68I2-I4 HydrophobicContact CD1-CG2 4.1Å; I2-I4 HydrophobicContact CG1-CG2 4.39Å; I4-R15 WeakPolarHBondContact O-CA 3.44Å; I4-I16 HydrophobicContact CG1-CB 4.3Å; I4-I16 PolarHBondContact N-O 3.37Å; I4-I16 PolarHBondContact O-N 3.21Å; I4-L27 HydrophobicContact CD1-CD1 3.42Å; I4-L27 VanDerWaalsContact CD1-CD1 3.42Å; I4-L27 HydrophobicContact CD1-CD2 3.29Å; I4-L27 HydrophobicContact CD1-CG 3.93Å; I4-L27 HydrophobicContact CG1-CD1 4.25Å; I4-I62 HydrophobicContact CG2-CG2 3.75Å; I4-L68 HydrophobicContact CD1-CD1 3.78Å
5T93.5Very high90Very high10 Ų1075.7 Ų75.76%0.06136%0.361CS..EExtended strand (participates in β ladder)trans-111.2118.9174.9-58.70000109.9K13 V14 M66 N67 L68T5-K13 HydrophobicContact CG2-CB 4.31Å; T5-V14 CarbonylContact C-O 3.6Å; T5-V14 WeakPolarHBondContact CA-O 3.45Å; T5-M66 PolarHBondContact N-O 2.85Å; T5-N67 WeakPolarHBondContact CB-OD1 3.48Å; T5-N67 CarbonylContact O-C 3.6Å; T5-N67 VanDerWaalsContact O-CA 3.31Å; T5-N67 WeakPolarHBondContact O-CA 3.38Å; T5-L68 PolarHBondContact O-N 3.48Å
6C93Very high90.1Very high0 Ų071.1 Ų71.10%034%0.339CS..EExtended strand (participates in β ladder)trans-97.4119.9172.5-61.60000109.5K13 V14 L68 L70C6-K13 WeakPolarHBondContact O-CA 3.49Å; C6-V14 PolarHBondContact N-O 3.3Å; C6-V14 PolarHBondContact O-N 3.35Å; C6-L68 WeakPolarHBondContact CA-O 3.11Å; C6-L70 HydrophobicContact CB-CB 4.41Å; C6-L70 HydrophobicContact CB-CD1 4.16Å
7N92.8Very high90.3Very high38 Ų3874.8 Ų74.820%0.20335%0.353CS..EExtended strand (participates in β ladder)trans-107.2120.4179.4-58.9-70.2000109.7K13 N67 L68 L70N7-K13 VanDerWaalsContact OD1-CD 3.27Å; N7-K13 WeakPolarHBondContact OD1-CD 3.41Å; N7-K13 WeakPolarHBondContact OD1-CE 3.47Å; N7-K13 WeakPolarHBondContact OD1-CG 3.35Å; N7-N67 PolarHBondContact ND2-OD1 3.26Å; N7-L68 PolarHBondContact N-O 3.38Å; N7-L70 PolarHBondContact O-N 3.29Å
8D89.7Confident90.4Very high17 Ų1770.8 Ų70.89%0.09134%0.335CS..EExtended strand (participates in β ladder)trans-81.7160.3171.9178.435.2000111.6L10 G11 K12 L70 Y72D8-L10 PolarHBondContact O-N 2.93Å; D8-L10 PolarHBondContact OD2-N 2.82Å; D8-G11 PolarHBondContact O-N 2.82Å; D8-K12 HydrophobicContact CB-CB 4.25Å; D8-K12 PolarHBondContact N-O 3.47Å; D8-L70 HydrophobicContact CB-CB 4.49Å; D8-L70 HydrophobicContact CB-CD2 4.16Å; D8-Y72 HydrophobicContact CB-CE2 4.4Å; D8-Y72 VanDerWaalsContact OD1-CE2 3.25Å; D8-Y72 WeakPolarHBondContact OD1-CE2 3.5Å; D8-Y72 WeakPolarHBondContact OD2-CE2 3.16Å
9R84.7Confident90.5Very high195 Ų19570.4 Ų70.474%0.73634%0.335SS*.THydrogen-bonded Turntrans-56.7-29.5175-69.7-168.1179.1-166.5-0.6113.6G11 Y71R9-G11 PolarHBondContact O-N 2.82Å; R9-Y71 HydrophobicContact CG-CD1 4.15Å; R9-Y71 HydrophobicContact CG-CE1 4.07Å; R9-Y71 VanDerWaalsContact CZ-CE1 3.45Å; R9-Y71 VanDerWaalsContact NH2-CD1 3.28Å
10L86.8Confident90.6Very high162 Ų16269 Ų6985%0.84833%0.332SS*.THydrogen-bonded Turntrans-79.93.4176.7-61.2179.1000113.3D8 K12D8-L10 PolarHBondContact O-N 2.93Å; D8-L10 PolarHBondContact OD2-N 2.82Å; L10-K12 VanDerWaalsContact C-N 3.34Å
11G84.9Confident90.7Very high53 Ų5370.1 Ų70.155%0.54634%0.343SS..SBendtrans84.13.9179.900000114.5D8 R9 K13D8-G11 PolarHBondContact O-N 2.82Å; R9-G11 PolarHBondContact O-N 2.82Å; G11-K13 PolarHBondContact O-N 2.98Å
12K87.8Confident91.2Very high103 Ų10364.8 Ų64.845%0.44832%0.318SS..  trans-68.6123.2174.1-172175.3179.8177.30109.5D8 L10 V14D8-K12 HydrophobicContact CB-CB 4.25Å; D8-K12 PolarHBondContact N-O 3.47Å; L10-K12 VanDerWaalsContact C-N 3.34Å; K12-V14 HydrophobicContact CG-CG2 4.4Å
13K90.6Very high91.3Very high152 Ų15268.5 Ų68.566%0.66133%0.333SS*.EExtended strand (participates in β ladder)trans-105.4124.8176.9-50.1-161.9173.3178.10109.8T5 C6 N7 G11T5-K13 HydrophobicContact CG2-CB 4.31Å; C6-K13 WeakPolarHBondContact O-CA 3.49Å; N7-K13 VanDerWaalsContact OD1-CD 3.27Å; N7-K13 WeakPolarHBondContact OD1-CD 3.41Å; N7-K13 WeakPolarHBondContact OD1-CE 3.47Å; N7-K13 WeakPolarHBondContact OD1-CG 3.35Å; G11-K13 PolarHBondContact O-N 2.98Å
14V91.2Very high91.3Very high13 Ų1365.9 Ų65.98%0.07932%0.321CS..EExtended strand (participates in β ladder)trans-117.5122.7176.7-1740000108.3T5 C6 K12 I16 Q34 T35T5-V14 CarbonylContact C-O 3.6Å; T5-V14 WeakPolarHBondContact CA-O 3.45Å; C6-V14 PolarHBondContact N-O 3.3Å; C6-V14 PolarHBondContact O-N 3.35Å; K12-V14 HydrophobicContact CG-CG2 4.4Å; V14-I16 HydrophobicContact CG1-CD1 3.95Å; V14-I16 HydrophobicContact CG1-CG1 3.79Å; V14-Q34 HydrophobicContact CG1-CB 4.23Å; V14-T35 HydrophobicContact CG2-CG2 3.83Å
15R92.7Very high91.4Very high161 Ų16166.2 Ų66.261%0.60833%0.325SS*.EExtended strand (participates in β ladder)trans-96.9127.1176-69.4175.3177.6-101.3-0.4109.1E3 I4E3-R15 HydrophobicContact CG-CB 4.49Å; E3-R15 IonicContact OE1-CZ 3.85Å; E3-R15 IonicContact OE1-NH1 2.82Å; E3-R15 PolarHBondContact OE1-NH1 3.42Å; I4-R15 WeakPolarHBondContact O-CA 3.44Å
16I92.4Very high91.4Very high2 Ų268.7 Ų68.71%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-130.6131-174.4-55.3-173.8000109.4E3 I4 V14 L27 L30 I31E3-I16 WeakPolarHBondContact CA-O 3.27Å; I4-I16 HydrophobicContact CG1-CB 4.3Å; I4-I16 PolarHBondContact N-O 3.37Å; I4-I16 PolarHBondContact O-N 3.21Å; V14-I16 HydrophobicContact CG1-CD1 3.95Å; V14-I16 HydrophobicContact CG1-CG1 3.79Å; I16-L27 HydrophobicContact CB-CD1 4.41Å; I16-L27 HydrophobicContact CG2-CD1 3.94Å; I16-L30 HydrophobicContact CG2-CB 4.04Å; I16-L30 HydrophobicContact CG2-CD1 4.21Å; I16-I31 HydrophobicContact CD1-CB 3.83Å; I16-I31 HydrophobicContact CD1-CD1 4.3Å; I16-I31 HydrophobicContact CD1-CG1 3.07Å; I16-I31 HydrophobicContact CD1-CG2 4.5Å
17K93Very high91.4Very high135 Ų13568.7 Ų68.759%0.58734%0.338SS*.EExtended strand (participates in β ladder)trans-89.9120.2171.1-64.4-177.3179.5-177.50108.5M1 I2M1-K17 HydrophobicContact CG-CB 4.22Å; M1-K17 HydrophobicContact SD-CB 4.05Å; M1-K17 HydrophobicContact SD-CD 4.13Å; I2-K17 WeakPolarHBondContact O-CA 3.42Å
18C91.9Very high91.4Very high3 Ų367.6 Ų67.62%0.0233%0.331CS..EExtended strand (participates in β ladder)trans-135.5168.9178.150.60000110.4M1 I2 L27 L57M1-C18 CarbonylContact C-O 3.52Å; M1-C18 WeakPolarHBondContact CA-O 3.31Å; I2-C18 WeakPolarHBondContact CG1-O 3.47Å; I2-C18 PolarHBondContact N-O 2.94Å; I2-C18 PolarHBondContact O-N 3.38Å; C18-L27 HydrophobicContact CB-CD1 4.23Å; C18-L57 HydrophobicContact CB-CD1 3.85Å; C18-L57 WeakPolarHBondContact SG-CD1 3.43Å
19N92.9Very high91.6Very high62 Ų6271.6 Ų71.633%0.33235%0.348SS..  trans-100.5145.6172-64.7-50.7000110.2M1 T21 D22M1-N19 WeakPolarHBondContact CA-OD1 3.5Å; N19-T21 PolarHBondContact O-N 2.89Å; N19-T21 VanDerWaalsContact O-N 3.15Å; N19-D22 PolarHBondContact N-OD2 3.07Å; N19-D22 VanDerWaalsContact O-CB 3.29Å; N19-D22 WeakPolarHBondContact O-CB 3.42Å; N19-D22 PolarHBondContact O-N 3.23Å
20P91.7Very high92Very high42 Ų4265.8 Ų65.827%0.27333%0.33SS..THydrogen-bonded Turntrans-60.5-26.4179.324.6-34.1000112.6D22 L57 Q58P20-D22 VanDerWaalsContact C-N 3.29Å; P20-D22 PolarHBondContact O-N 3.45Å; P20-L57 PolarHBondContact O-N 2.97Å; P20-Q58 HydrophobicContact CB-CB 4.14Å; P20-Q58 VanDerWaalsContact O-CB 3.28Å; P20-Q58 WeakPolarHBondContact O-CB 3.38Å; P20-Q58 PolarHBondContact O-N 3.24Å
21T93.3Very high92.3Very high94 Ų9458 Ų5858%0.57729%0.29SS*.THydrogen-bonded Turntrans-76.1-12.6176.253.50000114N19N19-T21 PolarHBondContact O-N 2.89Å; N19-T21 VanDerWaalsContact O-N 3.15Å
22D93Very high92.6Very high41 Ų4156.1 Ų56.122%0.21927%0.269CS..SBendtrans-70.8151.4-179.6-62.6-21000110.1N19 P20 T56 L57N19-D22 PolarHBondContact N-OD2 3.07Å; N19-D22 VanDerWaalsContact O-CB 3.29Å; N19-D22 WeakPolarHBondContact O-CB 3.42Å; N19-D22 PolarHBondContact O-N 3.23Å; P20-D22 VanDerWaalsContact C-N 3.29Å; P20-D22 PolarHBondContact O-N 3.45Å; D22-T56 CarbonylContact O-C 3.56Å; D22-T56 VanDerWaalsContact O-CA 3.3Å; D22-T56 WeakPolarHBondContact O-CA 3.25Å; D22-L57 WeakPolarHBondContact O-CG 3.33Å; D22-L57 PolarHBondContact O-N 3.19Å
23K95Very high92.8Very high99 Ų9955.4 Ų55.443%0.4328%0.282SS..BIsolated β-bridgetrans-81.8153174.8-59-172.6-178.7-167.70110.5G25 D26 L27 D53 I55K23-G25 PolarHBondContact O-N 2.93Å; K23-D26 PolarHBondContact O-N 2.85Å; K23-L27 PolarHBondContact O-N 2.81Å; K23-D53 WeakPolarHBondContact CB-O 3.29Å; K23-I55 WeakPolarHBondContact CA-O 3.34Å
24V94.3Very high92.7Very high1 Ų153.5 Ų53.51%0.00628%0.276CS..Hα-helixtrans-55-36.2172.6171.50000111.4D26 L27 K28 L44 F51 K52 I55 L57 Y60V24-D26 VanDerWaalsContact C-N 3.31Å; V24-D26 PolarHBondContact O-N 2.81Å; V24-L27 WeakPolarHBondContact O-CB 3.29Å; V24-L27 PolarHBondContact O-N 2.79Å; V24-K28 WeakPolarHBondContact O-CG 3.28Å; V24-K28 PolarHBondContact O-N 2.91Å; V24-L44 HydrophobicContact CG1-CD1 4.27Å; V24-F51 HydrophobicContact CB-CB 4.43Å; V24-F51 HydrophobicContact CG1-CB 3.66Å; V24-F51 HydrophobicContact CG2-CB 3.95Å; V24-K52 WeakPolarHBondContact CB-O 3.36Å; V24-I55 WeakPolarHBondContact CG2-O 3.44Å; V24-I55 PolarHBondContact N-O 2.87Å; V24-L57 HydrophobicContact CG2-CD2 3.99Å; V24-Y60 HydrophobicContact CG2-CD2 3.88Å; V24-Y60 HydrophobicContact CG2-CE2 3.89Å
25G94.4Very high92.5Very high8 Ų853.8 Ų53.88%0.08228%0.278CS..Hα-helixtrans-61.8-36.8176.100000113.2K23 K28 K29 D53K23-G25 PolarHBondContact O-N 2.93Å; G25-K28 PolarHBondContact O-N 2.92Å; G25-K29 WeakPolarHBondContact O-CG 3.38Å; G25-K29 PolarHBondContact O-N 2.94Å; G25-D53 PolarHBondContact N-O 2.83Å
26D93.8Very high92.3Very high61 Ų6149.7 Ų49.733%0.32629%0.285SS..Hα-helixtrans-74.8-35.8177-60.9-43.7000111.2K23 V24 K28 K29 L30K23-D26 PolarHBondContact O-N 2.85Å; V24-D26 VanDerWaalsContact C-N 3.31Å; V24-D26 PolarHBondContact O-N 2.81Å; D26-K28 VanDerWaalsContact C-N 3.32Å; D26-K28 PolarHBondContact O-N 2.75Å; D26-K29 WeakPolarHBondContact O-CB 3.47Å; D26-K29 PolarHBondContact O-N 3.28Å; D26-K29 VanDerWaalsContact O-N 3.17Å; D26-K29 IonicContact OD1-NZ 2.85Å; D26-K29 PolarHBondContact OD1-NZ 2.94Å; D26-L30 PolarHBondContact O-N 2.85Å
27L92.8Very high92Very high1 Ų151.6 Ų51.61%0.00530%0.297CS..Hα-helixtrans-59-43.3169.6177.266000111.7I4 I16 C18 K23 V24 K29 L30 I31 L44 L57 L68I4-L27 HydrophobicContact CD1-CD1 3.42Å; I4-L27 VanDerWaalsContact CD1-CD1 3.42Å; I4-L27 HydrophobicContact CD1-CD2 3.29Å; I4-L27 HydrophobicContact CD1-CG 3.93Å; I4-L27 HydrophobicContact CG1-CD1 4.25Å; I16-L27 HydrophobicContact CB-CD1 4.41Å; I16-L27 HydrophobicContact CG2-CD1 3.94Å; C18-L27 HydrophobicContact CB-CD1 4.23Å; K23-L27 PolarHBondContact O-N 2.81Å; V24-L27 WeakPolarHBondContact O-CB 3.29Å; V24-L27 PolarHBondContact O-N 2.79Å; L27-K29 VanDerWaalsContact C-N 3.31Å; L27-K29 PolarHBondContact O-N 3.46Å; L27-L30 WeakPolarHBondContact O-CB 2.98Å; L27-L30 PolarHBondContact O-N 2.74Å; L27-L30 VanDerWaalsContact O-N 3.17Å; L27-I31 HydrophobicContact CG-CD1 4.09Å; L27-I31 VanDerWaalsContact O-CG1 3.29Å; L27-I31 WeakPolarHBondContact O-CG1 3.34Å; L27-I31 PolarHBondContact O-N 3.37Å; L27-L44 HydrophobicContact CD2-CD1 3.58Å; L27-L44 HydrophobicContact CG-CD1 4.11Å; L27-L57 HydrophobicContact CB-CD2 4.31Å; L27-L57 HydrophobicContact CD2-CD1 4.43Å; L27-L57 HydrophobicContact CD2-CD2 3.69Å; L27-L68 HydrophobicContact CD2-CD1 4.12Å
28K93.7Very high92Very high14 Ų1450.1 Ų50.16%0.06130%0.295CS..Hα-helixtrans-60.2-38.7175-73.1-179.6179.4-177.30112.6V24 G25 D26 I31 A32 W39 I42 L44 D53V24-K28 WeakPolarHBondContact O-CG 3.28Å; V24-K28 PolarHBondContact O-N 2.91Å; G25-K28 PolarHBondContact O-N 2.92Å; D26-K28 VanDerWaalsContact C-N 3.32Å; D26-K28 PolarHBondContact O-N 2.75Å; K28-I31 PolarHBondContact O-N 2.93Å; K28-A32 WeakPolarHBondContact O-CB 3.41Å; K28-A32 PolarHBondContact O-N 2.92Å; K28-W39 HydrophobicContact CB-CB 4.27Å; K28-I42 VanDerWaalsContact CD-O 3.3Å; K28-I42 WeakPolarHBondContact CD-O 3.17Å; K28-I42 WeakPolarHBondContact CE-O 3.08Å; K28-I42 HydrophobicContact CG-CB 4.4Å; K28-I42 HydrophobicContact CG-CG2 4.14Å; K28-I42 PolarHBondContact NZ-O 3.26Å; K28-L44 HydrophobicContact CG-CD1 4.12Å; K28-L44 HydrophobicContact CG-CG 4.41Å; K28-D53 WeakPolarHBondContact CD-OD1 3.21Å; K28-D53 WeakPolarHBondContact CE-OD1 3.44Å; K28-D53 IonicContact NZ-OD1 2.68Å; K28-D53 PolarHBondContact NZ-OD1 2.78Å; K28-D53 IonicContact NZ-OD2 3.78Å
29K93.5Very high92Very high102 Ų10254.8 Ų54.844%0.44331%0.313SS..Hα-helixtrans-64.4-40.4174.5-66.2170.3-165.8157.60111.9G25 D26 L27 A32 A33 W39G25-K29 WeakPolarHBondContact O-CG 3.38Å; G25-K29 PolarHBondContact O-N 2.94Å; D26-K29 WeakPolarHBondContact O-CB 3.47Å; D26-K29 PolarHBondContact O-N 3.28Å; D26-K29 VanDerWaalsContact O-N 3.17Å; D26-K29 IonicContact OD1-NZ 2.85Å; D26-K29 PolarHBondContact OD1-NZ 2.94Å; L27-K29 VanDerWaalsContact C-N 3.31Å; L27-K29 PolarHBondContact O-N 3.46Å; K29-A32 WeakPolarHBondContact O-CB 3.19Å; K29-A32 PolarHBondContact O-N 3.41Å; K29-A33 WeakPolarHBondContact O-CB 3.45Å; K29-A33 PolarHBondContact O-N 3.01Å; K29-W39 HydrophobicContact CG-CB 4.27Å; K29-W39 HydrophobicContact CG-CD2 4.47Å; K29-W39 HydrophobicContact CG-CG 4.1Å
30L92.8Very high92Very high72 Ų7258.5 Ų58.538%0.37733%0.328SS..Hα-helixtrans-64.8-42.1175.4-69.6173.5000111.9I16 D26 L27 A33 Q34I16-L30 HydrophobicContact CG2-CB 4.04Å; I16-L30 HydrophobicContact CG2-CD1 4.21Å; D26-L30 PolarHBondContact O-N 2.85Å; L27-L30 WeakPolarHBondContact O-CB 2.98Å; L27-L30 PolarHBondContact O-N 2.74Å; L27-L30 VanDerWaalsContact O-N 3.17Å; L30-A33 PolarHBondContact O-N 2.63Å; L30-Q34 PolarHBondContact O-N 2.87Å
31I92Very high92Very high0 Ų063.8 Ų63.80%034%0.343CS..Hα-helixtrans-59.9-52173.3-63.1161.1000109.5I16 L27 K28 A33 Q34 T35 I42 L44 L70I16-I31 HydrophobicContact CD1-CB 3.83Å; I16-I31 HydrophobicContact CD1-CD1 4.3Å; I16-I31 HydrophobicContact CD1-CG1 3.07Å; I16-I31 HydrophobicContact CD1-CG2 4.5Å; L27-I31 HydrophobicContact CG-CD1 4.09Å; L27-I31 VanDerWaalsContact O-CG1 3.29Å; L27-I31 WeakPolarHBondContact O-CG1 3.34Å; L27-I31 PolarHBondContact O-N 3.37Å; K28-I31 PolarHBondContact O-N 2.93Å; I31-A33 VanDerWaalsContact C-N 3.27Å; I31-A33 PolarHBondContact O-N 3.08Å; I31-Q34 CarbonylContact O-C 3.54Å; I31-Q34 PolarHBondContact O-N 2.88Å; I31-T35 HydrophobicContact CG2-CG2 3.91Å; I31-T35 PolarHBondContact O-N 2.84Å; I31-T35 PolarHBondContact O-OG1 3.4Å; I31-I42 HydrophobicContact CB-CD1 4.02Å; I31-I42 HydrophobicContact CD1-CG2 4.36Å; I31-I42 HydrophobicContact CG2-CD1 3.71Å; I31-L44 HydrophobicContact CD1-CD1 3.78Å; I31-L44 HydrophobicContact CD1-CD2 3.73Å; I31-L44 HydrophobicContact CD1-CG 4.11Å; I31-L70 HydrophobicContact CG2-CD1 3.44Å; I31-L70 VanDerWaalsContact CG2-CD1 3.44Å
32A92.3Very high92Very high13 Ų1359.3 Ų59.311%0.10732%0.315CS..Hα-helixtrans-53.2-43.2179.800000112.7K28 K29 Q34 T35 G36 T37 W39 I42K28-A32 WeakPolarHBondContact O-CB 3.41Å; K28-A32 PolarHBondContact O-N 2.92Å; K29-A32 WeakPolarHBondContact O-CB 3.19Å; K29-A32 PolarHBondContact O-N 3.41Å; A32-Q34 VanDerWaalsContact C-N 3.31Å; A32-Q34 PolarHBondContact O-N 2.9Å; A32-T35 PolarHBondContact O-N 2.86Å; A32-G36 WeakPolarHBondContact O-CA 3.31Å; A32-G36 PolarHBondContact O-N 3.5Å; A32-T37 VanDerWaalsContact CA-O 3.28Å; A32-T37 WeakPolarHBondContact CA-O 3.36Å; A32-T37 WeakPolarHBondContact CB-O 2.98Å; A32-T37 PolarHBondContact O-N 3.01Å; A32-W39 HydrophobicContact CB-CB 3.78Å; A32-I42 HydrophobicContact CB-CD1 3.88Å
33A91.4Very high92Very high87 Ų8758 Ų5872%0.71931%0.309SS*.Hα-helixtrans-63.1-34.5177.200000112.9K29 L30 I31K29-A33 WeakPolarHBondContact O-CB 3.45Å; K29-A33 PolarHBondContact O-N 3.01Å; L30-A33 PolarHBondContact O-N 2.63Å; I31-A33 VanDerWaalsContact C-N 3.27Å; I31-A33 PolarHBondContact O-N 3.08Å
34Q88.3Confident91.9Very high112 Ų11253.4 Ų53.452%0.52329%0.289SS..Hα-helixtrans-85.2-33.5177.7-68.1-168.34600113.5V14 L30 I31 A32V14-Q34 HydrophobicContact CG1-CB 4.23Å; L30-Q34 PolarHBondContact O-N 2.87Å; I31-Q34 CarbonylContact O-C 3.54Å; I31-Q34 PolarHBondContact O-N 2.88Å; A32-Q34 VanDerWaalsContact C-N 3.31Å; A32-Q34 PolarHBondContact O-N 2.9Å
35T87.4Confident91.8Very high20 Ų2055.6 Ų55.612%0.12330%0.298CS..Hα-helixtrans-87.9-18.2-177.554.20000113.4V14 I31 A32 T37V14-T35 HydrophobicContact CG2-CG2 3.83Å; I31-T35 HydrophobicContact CG2-CG2 3.91Å; I31-T35 PolarHBondContact O-N 2.84Å; I31-T35 PolarHBondContact O-OG1 3.4Å; A32-T35 PolarHBondContact O-N 2.86Å; T35-T37 VanDerWaalsContact C-N 3.34Å; T35-T37 PolarHBondContact OG1-OG1 3.34Å
36G87.8Confident91.6Very high74 Ų7458.6 Ų58.676%0.76331%0.309SS*.THydrogen-bonded Turntrans73.724.7-174.700000113.3A32A32-G36 WeakPolarHBondContact O-CA 3.31Å; A32-G36 PolarHBondContact O-N 3.5Å
37T87.3Confident91.4Very high43 Ų4365.2 Ų65.226%0.26433%0.329SS..SBendtrans-116.2151-177.756.20000110.8A32 T35 W39 Y72A32-T37 VanDerWaalsContact CA-O 3.28Å; A32-T37 WeakPolarHBondContact CA-O 3.36Å; A32-T37 WeakPolarHBondContact CB-O 2.98Å; A32-T37 PolarHBondContact O-N 3.01Å; T35-T37 VanDerWaalsContact C-N 3.34Å; T35-T37 PolarHBondContact OG1-OG1 3.34Å; T37-W39 PolarHBondContact O-N 3.13Å; T37-Y72 HydrophobicContact CG2-CE1 3.92Å
38N91.9Very high91.2Very high103 Ų10375.8 Ų75.855%0.55137%0.371SS*.  trans-63.9132.1175.4-72-11.2000111.3E40 R41N38-E40 PolarHBondContact O-N 3.06Å; N38-R41 HydrophobicContact CB-CG 4.37Å; N38-R41 WeakPolarHBondContact O-CB 3.3Å; N38-R41 PolarHBondContact O-N 2.96Å
39W92.1Very high91.1Very high101 Ų10178.5 Ų78.538%0.38339%0.389SS..G310 helixtrans-61.3-29.3-178.865.5-89.5000113K28 K29 A32 T37 R41 I42K28-W39 HydrophobicContact CB-CB 4.27Å; K29-W39 HydrophobicContact CG-CB 4.27Å; K29-W39 HydrophobicContact CG-CD2 4.47Å; K29-W39 HydrophobicContact CG-CG 4.1Å; A32-W39 HydrophobicContact CB-CB 3.78Å; T37-W39 PolarHBondContact O-N 3.13Å; W39-R41 PolarHBondContact O-N 3.15Å; W39-I42 PolarHBondContact O-N 3.05Å; W39-I42 VanDerWaalsContact O-N 3.13Å
40E92.4Very high91.1Very high141 Ų14178.1 Ų78.166%0.65939%0.39SS*.G310 helixtrans-63.3-29.1176.3-62.9178.915300112.9N38 I42N38-E40 PolarHBondContact O-N 3.06Å; E40-I42 VanDerWaalsContact C-N 3.33Å
41R92.2Very high91.2Very high152 Ų15275 Ų7557%0.57437%0.374SS*.G310 helixtrans-82.6-13.8177.8-64.9-164.9179.1174.4-1.5113N38 W39 V43 Y72 Q73N38-R41 HydrophobicContact CB-CG 4.37Å; N38-R41 WeakPolarHBondContact O-CB 3.3Å; N38-R41 PolarHBondContact O-N 2.96Å; W39-R41 PolarHBondContact O-N 3.15Å; R41-V43 PolarHBondContact O-N 3.4Å; R41-Y72 CarbonylContact O-C 3.55Å; R41-Y72 VanDerWaalsContact O-CA 3.31Å; R41-Y72 WeakPolarHBondContact O-CA 3.43Å; R41-Q73 VanDerWaalsContact CA-O 3.23Å; R41-Q73 WeakPolarHBondContact CA-O 3.37Å; R41-Q73 WeakPolarHBondContact CB-O 3.48Å; R41-Q73 WeakPolarHBondContact CG-O 3.39Å; R41-Q73 PolarHBondContact O-N 3.4Å
42I92.9Very high91.3Very high0 Ų080.9 Ų80.90%040%0.4CS..EExtended strand (participates in β ladder)trans-85.1119.5-176.3-59.9176.1000108.6K28 I31 A32 W39 E40 L44 L70K28-I42 VanDerWaalsContact CD-O 3.3Å; K28-I42 WeakPolarHBondContact CD-O 3.17Å; K28-I42 WeakPolarHBondContact CE-O 3.08Å; K28-I42 HydrophobicContact CG-CB 4.4Å; K28-I42 HydrophobicContact CG-CG2 4.14Å; K28-I42 PolarHBondContact NZ-O 3.26Å; I31-I42 HydrophobicContact CB-CD1 4.02Å; I31-I42 HydrophobicContact CD1-CG2 4.36Å; I31-I42 HydrophobicContact CG2-CD1 3.71Å; A32-I42 HydrophobicContact CB-CD1 3.88Å; W39-I42 PolarHBondContact O-N 3.05Å; W39-I42 VanDerWaalsContact O-N 3.13Å; E40-I42 VanDerWaalsContact C-N 3.33Å; I42-L44 HydrophobicContact CG2-CG 4.4Å; I42-L70 HydrophobicContact CG2-CD1 4.24Å; I42-L70 HydrophobicContact CG2-CG 4.13Å
43V92.8Very high91.3Very high15 Ų1583.3 Ų83.39%0.09141%0.411CS..EExtended strand (participates in β ladder)trans-112.4116.6171.6-176.60000108.4R41 K45 I50 Y71 Q73R41-V43 PolarHBondContact O-N 3.4Å; V43-K45 HydrophobicContact CG1-CD 4.43Å; V43-K45 HydrophobicContact CG1-CG 3.99Å; V43-I50 HydrophobicContact CG1-CG2 3.92Å; V43-Y71 PolarHBondContact N-O 3.47Å; V43-Y71 PolarHBondContact O-N 2.62Å; V43-Q73 HydrophobicContact CG2-CB 4.1Å; V43-Q73 HydrophobicContact CG2-CG 3.89Å
44L93Very high91.4Very high1 Ų185.2 Ų85.21%0.00541%0.405CS..EExtended strand (participates in β ladder)trans-90.6130.1173.6-69.5175000109.3V24 L27 K28 I31 I42 F51 L68 E69 L70V24-L44 HydrophobicContact CG1-CD1 4.27Å; L27-L44 HydrophobicContact CD2-CD1 3.58Å; L27-L44 HydrophobicContact CG-CD1 4.11Å; K28-L44 HydrophobicContact CG-CD1 4.12Å; K28-L44 HydrophobicContact CG-CG 4.41Å; I31-L44 HydrophobicContact CD1-CD1 3.78Å; I31-L44 HydrophobicContact CD1-CD2 3.73Å; I31-L44 HydrophobicContact CD1-CG 4.11Å; I42-L44 HydrophobicContact CG2-CG 4.4Å; L44-F51 HydrophobicContact CB-CB 4.29Å; L44-F51 HydrophobicContact CB-CD2 3.79Å; L44-F51 HydrophobicContact CB-CG 4.49Å; L44-F51 WeakPolarHBondContact O-CD2 3.46Å; L44-F51 PolarHBondContact O-N 3.44Å; L44-L68 HydrophobicContact CD1-CD1 4.37Å; L44-L68 HydrophobicContact CD2-CB 4.41Å; L44-E69 WeakPolarHBondContact CA-O 3.48Å; L44-L70 HydrophobicContact CD2-CB 4.48Å
45K92.4Very high91.7Very high47 Ų4781.9 Ų81.920%0.20439%0.39CS..EExtended strand (participates in β ladder)trans-133.2157.7174.3-52.6-171.2179-174.70110.9V43 T49 I50 E69 Y71V43-K45 HydrophobicContact CG1-CD 4.43Å; V43-K45 HydrophobicContact CG1-CG 3.99Å; K45-T49 CarbonylContact C-O 3.59Å; K45-T49 VanDerWaalsContact CA-O 3.25Å; K45-T49 WeakPolarHBondContact CA-O 3.5Å; K45-I50 HydrophobicContact CD-CD1 4.39Å; K45-I50 HydrophobicContact CD-CG1 3.93Å; K45-I50 HydrophobicContact CG-CG1 4.07Å; K45-I50 HydrophobicContact CG-CG2 4.48Å; K45-E69 PolarHBondContact N-O 3.18Å; K45-E69 WeakPolarHBondContact O-CB 3.28Å; K45-E69 PolarHBondContact O-N 2.99Å; K45-Y71 HydrophobicContact CB-CD2 4.15Å; K45-Y71 HydrophobicContact CB-CE2 3.85Å; K45-Y71 HydrophobicContact CD-CD2 3.92Å; K45-Y71 HydrophobicContact CD-CE2 3.88Å; K45-Y71 HydrophobicContact CG-CD2 3.87Å; K45-Y71 HydrophobicContact CG-CE2 3.98Å
46K90.9Very high92.1Very high72 Ų7282.3 Ų82.331%0.31339%0.393SS..EExtended strand (participates in β ladder)trans-140.9114.9164.9176.3171.6174.2-1600107.2Y48 T49 F51 M66 L68K46-Y48 PolarHBondContact O-N 3.18Å; K46-T49 PolarHBondContact N-O 3.4Å; K46-T49 WeakPolarHBondContact O-CB 3.23Å; K46-T49 PolarHBondContact O-N 3.17Å; K46-F51 HydrophobicContact CB-CE2 3.68Å; K46-F51 HydrophobicContact CB-CZ 3.69Å; K46-M66 HydrophobicContact CD-CE 3.45Å; K46-M66 VanDerWaalsContact CD-CE 3.45Å; K46-M66 HydrophobicContact CD-SD 4.26Å; K46-M66 PolarHBondContact NZ-SD 3.4Å; K46-L68 HydrophobicContact CB-CD2 4.47Å; K46-L68 HydrophobicContact CD-CD2 4.43Å
47W89.2Confident92.3Very high199 Ų19978.8 Ų78.875%0.75436%0.356SS*.THydrogen-bonded Turntrans54.1-118.6-171.8-57.1103.3000111.3
48Y89.6Confident92.5Very high224 Ų22482.6 Ų82.688%0.87837%0.371SS*.THydrogen-bonded Turntrans-90.4-6179.6-55.6-77.1000113.2K46K46-Y48 PolarHBondContact O-N 3.18Å
49T91.7Very high92.6Very high71 Ų7183.3 Ų83.344%0.43638%0.375SS..EExtended strand (participates in β ladder)trans-90.4123.5-177-55.80000110.6K45 K46 Y60K45-T49 CarbonylContact C-O 3.59Å; K45-T49 VanDerWaalsContact CA-O 3.25Å; K45-T49 WeakPolarHBondContact CA-O 3.5Å; K46-T49 PolarHBondContact N-O 3.4Å; K46-T49 WeakPolarHBondContact O-CB 3.23Å; K46-T49 PolarHBondContact O-N 3.17Å; T49-Y60 HydrophobicContact CG2-CE1 4.12Å
50I93.6Very high92.6Very high93 Ų9380.9 Ų80.948%0.47737%0.366SS..EExtended strand (participates in β ladder)trans-98.2121.1170.7-53.7-178.1000107.8V43 K45 K52V43-I50 HydrophobicContact CG1-CG2 3.92Å; K45-I50 HydrophobicContact CD-CD1 4.39Å; K45-I50 HydrophobicContact CD-CG1 3.93Å; K45-I50 HydrophobicContact CG-CG1 4.07Å; K45-I50 HydrophobicContact CG-CG2 4.48Å; I50-K52 PolarHBondContact O-N 2.91Å
51F93.8Very high92.6Very high8 Ų881.5 Ų81.54%0.03537%0.369CS..PPolyproline II helixtrans-74.6123.9-178.1-63.4-72.5000110.7V24 L44 K46 Y60 I62 L68V24-F51 HydrophobicContact CB-CB 4.43Å; V24-F51 HydrophobicContact CG1-CB 3.66Å; V24-F51 HydrophobicContact CG2-CB 3.95Å; L44-F51 HydrophobicContact CB-CB 4.29Å; L44-F51 HydrophobicContact CB-CD2 3.79Å; L44-F51 HydrophobicContact CB-CG 4.49Å; L44-F51 WeakPolarHBondContact O-CD2 3.46Å; L44-F51 PolarHBondContact O-N 3.44Å; K46-F51 HydrophobicContact CB-CE2 3.68Å; K46-F51 HydrophobicContact CB-CZ 3.69Å; F51-Y60 HydrophobicContact CB-CE2 4.2Å; F51-Y60 AromaticContact CD1-CD1 3.62Å; F51-Y60 HydrophobicContact CD1-CD1 3.62Å; F51-Y60 AromaticContact CD1-CD2 3.54Å; F51-Y60 HydrophobicContact CD1-CD2 3.54Å; F51-Y60 AromaticContact CD1-CE1 3.81Å; F51-Y60 HydrophobicContact CD1-CE1 3.81Å; F51-Y60 AromaticContact CD1-CE2 3.68Å; F51-Y60 HydrophobicContact CD1-CE2 3.68Å; F51-Y60 AromaticContact CD1-CG 3.5Å; F51-Y60 HydrophobicContact CD1-CG 3.5Å; F51-Y60 VanDerWaalsContact CD1-CG 3.5Å; F51-Y60 AromaticContact CD1-CZ 3.84Å; F51-Y60 AromaticContact CE1-CD1 3.73Å; F51-Y60 HydrophobicContact CE1-CD1 3.73Å; F51-Y60 HydrophobicContact CE1-CD2 4.17Å; F51-Y60 HydrophobicContact CE1-CE1 4.28Å; F51-Y60 AromaticContact CE1-CG 3.68Å; F51-Y60 HydrophobicContact CE1-CG 3.68Å; F51-Y60 HydrophobicContact CG-CE2 4.44Å; F51-I62 HydrophobicContact CD1-CD1 4.28Å; F51-I62 HydrophobicContact CE1-CD1 3.89Å; F51-I62 HydrophobicContact CE1-CG1 4.33Å; F51-I62 HydrophobicContact CZ-CD1 4.19Å; F51-L68 HydrophobicContact CE2-CD1 4.43Å; F51-L68 HydrophobicContact CE2-CD2 3.7Å; F51-L68 HydrophobicContact CZ-CD2 3.85Å
52K93.8Very high92.5Very high123 Ų12374.5 Ų74.554%0.53534%0.343SS..PPolyproline II helixtrans-84.4138.8176.1-58.4-177.2-179.3177.70111.3V24 I50 H54 I55 Y60V24-K52 WeakPolarHBondContact CB-O 3.36Å; I50-K52 PolarHBondContact O-N 2.91Å; K52-H54 VanDerWaalsContact C-N 3.28Å; K52-H54 PolarHBondContact O-N 3.17Å; K52-I55 HydrophobicContact CB-CD1 4.13Å; K52-I55 HydrophobicContact CB-CG1 4.42Å; K52-I55 HydrophobicContact CD-CD1 4.21Å; K52-I55 PolarHBondContact O-N 3.24Å; K52-Y60 PolarHBondContact N-OH 2.83Å
53D93.6Very high92.4Very high64 Ų6479.7 Ų79.734%0.34237%0.37SS..THydrogen-bonded Turntrans-63.4-26.9-169.9-60.5-27.2000115.2K23 G25 K28K23-D53 WeakPolarHBondContact CB-O 3.29Å; G25-D53 PolarHBondContact N-O 2.83Å; K28-D53 WeakPolarHBondContact CD-OD1 3.21Å; K28-D53 WeakPolarHBondContact CE-OD1 3.44Å; K28-D53 IonicContact NZ-OD1 2.68Å; K28-D53 PolarHBondContact NZ-OD1 2.78Å; K28-D53 IonicContact NZ-OD2 3.78Å
54H92.9Very high92.3Very high127 Ų12784.2 Ų84.259%0.58839%0.394SS*.THydrogen-bonded Turntrans-89.2-8.9-17558.1-91.6000114.4K52K52-H54 VanDerWaalsContact C-N 3.28Å; K52-H54 PolarHBondContact O-N 3.17Å
55I94.4Very high92.2Very high42 Ų4286.3 Ų86.322%0.21542%0.416CS..SBendtrans-92.3146-178.6-62.7176.4000108.9K23 V24 K52 D59 Y60K23-I55 WeakPolarHBondContact CA-O 3.34Å; V24-I55 WeakPolarHBondContact CG2-O 3.44Å; V24-I55 PolarHBondContact N-O 2.87Å; K52-I55 HydrophobicContact CB-CD1 4.13Å; K52-I55 HydrophobicContact CB-CG1 4.42Å; K52-I55 HydrophobicContact CD-CD1 4.21Å; K52-I55 PolarHBondContact O-N 3.24Å; I55-D59 HydrophobicContact CG2-CB 3.53Å; I55-Y60 HydrophobicContact CB-CD2 4Å; I55-Y60 HydrophobicContact CB-CE2 3.43Å; I55-Y60 VanDerWaalsContact CB-CE2 3.43Å; I55-Y60 HydrophobicContact CD1-CE2 4.14Å; I55-Y60 WeakPolarHBondContact CD1-OH 3.45Å; I55-Y60 HydrophobicContact CG1-CE2 4.32Å; I55-Y60 HydrophobicContact CG2-CD2 3.42Å; I55-Y60 VanDerWaalsContact CG2-CD2 3.42Å; I55-Y60 HydrophobicContact CG2-CE2 3.3Å; I55-Y60 HydrophobicContact CG2-CG 4.17Å
56T94.9Very high92.3Very high29 Ų2985.3 Ų85.318%0.17841%0.413CS..BIsolated β-bridgetrans-77.9158.7-179.370.50000111.9D22 Q58 D59 Y60D22-T56 CarbonylContact O-C 3.56Å; D22-T56 VanDerWaalsContact O-CA 3.3Å; D22-T56 WeakPolarHBondContact O-CA 3.25Å; T56-Q58 PolarHBondContact O-N 3.25Å; T56-D59 PolarHBondContact N-OD2 3.33Å; T56-D59 PolarHBondContact O-N 3.06Å; T56-D59 WeakPolarHBondContact OG1-CB 3.47Å; T56-D59 PolarHBondContact OG1-N 2.95Å; T56-D59 PolarHBondContact OG1-OD2 2.91Å; T56-Y60 WeakPolarHBondContact O-CD2 3.49Å; T56-Y60 PolarHBondContact O-N 3.41Å
57L92.6Very high92.3Very high0 Ų086.1 Ų86.10%042%0.42CS..THydrogen-bonded Turntrans-62.8-33.2173.6-57.7-176.6000111.2I2 C18 P20 D22 V24 L27 Y60 E61 I62I2-L57 HydrophobicContact CD1-CD1 4.38Å; C18-L57 HydrophobicContact CB-CD1 3.85Å; C18-L57 WeakPolarHBondContact SG-CD1 3.43Å; P20-L57 PolarHBondContact O-N 2.97Å; D22-L57 WeakPolarHBondContact O-CG 3.33Å; D22-L57 PolarHBondContact O-N 3.19Å; V24-L57 HydrophobicContact CG2-CD2 3.99Å; L27-L57 HydrophobicContact CB-CD2 4.31Å; L27-L57 HydrophobicContact CD2-CD1 4.43Å; L27-L57 HydrophobicContact CD2-CD2 3.69Å; L57-Y60 PolarHBondContact O-N 3.26Å; L57-E61 PolarHBondContact O-N 3.4Å; L57-I62 HydrophobicContact CB-CB 4.17Å; L57-I62 HydrophobicContact CB-CD1 4.25Å; L57-I62 HydrophobicContact CD2-CD1 3.62Å; L57-I62 WeakPolarHBondContact O-CB 3.45Å; L57-I62 WeakPolarHBondContact O-CG1 3.45Å; L57-I62 PolarHBondContact O-N 3.46Å
58Q92.6Very high92.5Very high122 Ų12276.7 Ų76.757%0.5739%0.385SS*.THydrogen-bonded Turntrans-65.9-44.7176.4-173.6173.3-0.900112.7P20 T56 Y60 E61P20-Q58 HydrophobicContact CB-CB 4.14Å; P20-Q58 VanDerWaalsContact O-CB 3.28Å; P20-Q58 WeakPolarHBondContact O-CB 3.38Å; P20-Q58 PolarHBondContact O-N 3.24Å; T56-Q58 PolarHBondContact O-N 3.25Å; Q58-Y60 PolarHBondContact O-N 2.95Å; Q58-E61 WeakPolarHBondContact O-CA 3.46Å; Q58-E61 PolarHBondContact O-N 2.92Å
59D93.3Very high92.6Very high118 Ų11869.5 Ų69.563%0.63136%0.359SS*.THydrogen-bonded Turntrans-62.3-28.3177.8-71-51000112.2I55 T56 E61I55-D59 HydrophobicContact CG2-CB 3.53Å; T56-D59 PolarHBondContact N-OD2 3.33Å; T56-D59 PolarHBondContact O-N 3.06Å; T56-D59 WeakPolarHBondContact OG1-CB 3.47Å; T56-D59 PolarHBondContact OG1-N 2.95Å; T56-D59 PolarHBondContact OG1-OD2 2.91Å; D59-E61 VanDerWaalsContact C-N 3.3Å
60Y93Very high92.7Very high51 Ų5166.2 Ų66.220%0.234%0.339CS..THydrogen-bonded Turntrans-87.24.3173.7-83.2-60.8000114.2V24 T49 F51 K52 I55 T56 L57 Q58 I62V24-Y60 HydrophobicContact CG2-CD2 3.88Å; V24-Y60 HydrophobicContact CG2-CE2 3.89Å; T49-Y60 HydrophobicContact CG2-CE1 4.12Å; F51-Y60 HydrophobicContact CB-CE2 4.2Å; F51-Y60 AromaticContact CD1-CD1 3.62Å; F51-Y60 HydrophobicContact CD1-CD1 3.62Å; F51-Y60 AromaticContact CD1-CD2 3.54Å; F51-Y60 HydrophobicContact CD1-CD2 3.54Å; F51-Y60 AromaticContact CD1-CE1 3.81Å; F51-Y60 HydrophobicContact CD1-CE1 3.81Å; F51-Y60 AromaticContact CD1-CE2 3.68Å; F51-Y60 HydrophobicContact CD1-CE2 3.68Å; F51-Y60 AromaticContact CD1-CG 3.5Å; F51-Y60 HydrophobicContact CD1-CG 3.5Å; F51-Y60 VanDerWaalsContact CD1-CG 3.5Å; F51-Y60 AromaticContact CD1-CZ 3.84Å; F51-Y60 AromaticContact CE1-CD1 3.73Å; F51-Y60 HydrophobicContact CE1-CD1 3.73Å; F51-Y60 HydrophobicContact CE1-CD2 4.17Å; F51-Y60 HydrophobicContact CE1-CE1 4.28Å; F51-Y60 AromaticContact CE1-CG 3.68Å; F51-Y60 HydrophobicContact CE1-CG 3.68Å; F51-Y60 HydrophobicContact CG-CE2 4.44Å; K52-Y60 PolarHBondContact N-OH 2.83Å; I55-Y60 HydrophobicContact CB-CD2 4Å; I55-Y60 HydrophobicContact CB-CE2 3.43Å; I55-Y60 VanDerWaalsContact CB-CE2 3.43Å; I55-Y60 HydrophobicContact CD1-CE2 4.14Å; I55-Y60 WeakPolarHBondContact CD1-OH 3.45Å; I55-Y60 HydrophobicContact CG1-CE2 4.32Å; I55-Y60 HydrophobicContact CG2-CD2 3.42Å; I55-Y60 VanDerWaalsContact CG2-CD2 3.42Å; I55-Y60 HydrophobicContact CG2-CE2 3.3Å; I55-Y60 HydrophobicContact CG2-CG 4.17Å; T56-Y60 WeakPolarHBondContact O-CD2 3.49Å; T56-Y60 PolarHBondContact O-N 3.41Å; L57-Y60 PolarHBondContact O-N 3.26Å; Q58-Y60 PolarHBondContact O-N 2.95Å; Y60-I62 PolarHBondContact O-N 2.68Å
61E91.7Very high92.5Very high153 Ų15364 Ų6472%0.71533%0.325SS*.THydrogen-bonded Turntrans53.938.8-177.3-55.6-176151.900112.7L57 Q58 D59 N63L57-E61 PolarHBondContact O-N 3.4Å; Q58-E61 WeakPolarHBondContact O-CA 3.46Å; Q58-E61 PolarHBondContact O-N 2.92Å; D59-E61 VanDerWaalsContact C-N 3.3Å; E61-N63 PolarHBondContact O-N 3.4Å; E61-N63 PolarHBondContact O-ND2 3.01Å
62I90.4Very high92.3Very high5 Ų568.1 Ų68.13%0.02634%0.341CS..  trans-78108.7176.8-56.3-178.3000108.4I2 I4 F51 L57 Y60 M66 L68I2-I62 HydrophobicContact CD1-CG2 4.27Å; I2-I62 WeakPolarHBondContact CD1-O 3.5Å; I4-I62 HydrophobicContact CG2-CG2 3.75Å; F51-I62 HydrophobicContact CD1-CD1 4.28Å; F51-I62 HydrophobicContact CE1-CD1 3.89Å; F51-I62 HydrophobicContact CE1-CG1 4.33Å; F51-I62 HydrophobicContact CZ-CD1 4.19Å; L57-I62 HydrophobicContact CB-CB 4.17Å; L57-I62 HydrophobicContact CB-CD1 4.25Å; L57-I62 HydrophobicContact CD2-CD1 3.62Å; L57-I62 WeakPolarHBondContact O-CB 3.45Å; L57-I62 WeakPolarHBondContact O-CG1 3.45Å; L57-I62 PolarHBondContact O-N 3.46Å; Y60-I62 PolarHBondContact O-N 2.68Å; I62-M66 HydrophobicContact CB-CE 4.15Å; I62-M66 HydrophobicContact CG1-CE 3.8Å; I62-M66 HydrophobicContact CG2-CB 4.38Å; I62-M66 HydrophobicContact CG2-CE 4.15Å; I62-L68 HydrophobicContact CD1-CD1 4.4Å
63N89.4Confident91.8Very high109 Ų10970.9 Ų70.958%0.58336%0.356SS*.  trans-95.3166.4-178.6-66.3-55.2000112.6E61 M66E61-N63 PolarHBondContact O-N 3.4Å; E61-N63 PolarHBondContact O-ND2 3.01Å; N63-M66 WeakPolarHBondContact O-CB 3.47Å; N63-M66 PolarHBondContact O-N 2.97Å
64D92.3Very high91.7Very high110 Ų11071.2 Ų71.259%0.58836%0.356SS*.THydrogen-bonded Turntrans-58.1135.1173-168.168000111.6I2 E3 M66I2-D64 WeakPolarHBondContact CA-OD1 3.25Å; I2-D64 HydrophobicContact CB-CB 4.24Å; I2-D64 HydrophobicContact CG2-CB 4.14Å; E3-D64 PolarHBondContact N-OD1 2.97Å; D64-M66 VanDerWaalsContact C-N 3.3Å; D64-M66 PolarHBondContact O-N 3.41Å
65G91.1Very high91.7Very high46 Ų4668.3 Ų68.347%0.47434%0.344SS..THydrogen-bonded Turntrans79.93.2-177.300000115.2E3E3-G65 WeakPolarHBondContact O-CA 3.48Å; E3-G65 PolarHBondContact O-N 3.19Å
66M92.9Very high91.5Very high26 Ų2669.7 Ų69.713%0.12835%0.351CS..  trans-69.3140.8-178.2-168.6146.2118.600112.3T5 K46 I62 N63 D64 L68T5-M66 PolarHBondContact N-O 2.85Å; K46-M66 HydrophobicContact CD-CE 3.45Å; K46-M66 VanDerWaalsContact CD-CE 3.45Å; K46-M66 HydrophobicContact CD-SD 4.26Å; K46-M66 PolarHBondContact NZ-SD 3.4Å; I62-M66 HydrophobicContact CB-CE 4.15Å; I62-M66 HydrophobicContact CG1-CE 3.8Å; I62-M66 HydrophobicContact CG2-CB 4.38Å; I62-M66 HydrophobicContact CG2-CE 4.15Å; N63-M66 WeakPolarHBondContact O-CB 3.47Å; N63-M66 PolarHBondContact O-N 2.97Å; D64-M66 VanDerWaalsContact C-N 3.3Å; D64-M66 PolarHBondContact O-N 3.41Å; M66-L68 HydrophobicContact CE-CD2 3.86Å; M66-L68 HydrophobicContact CG-CD2 4.31Å
67N92Very high91.3Very high88 Ų8872.1 Ų72.147%0.47136%0.361SS..EExtended strand (participates in β ladder)trans-97.6126.6175-72.8-89.8000110T5 N7T5-N67 WeakPolarHBondContact CB-OD1 3.48Å; T5-N67 CarbonylContact O-C 3.6Å; T5-N67 VanDerWaalsContact O-CA 3.31Å; T5-N67 WeakPolarHBondContact O-CA 3.38Å; N7-N67 PolarHBondContact ND2-OD1 3.26Å
68L92.8Very high91.2Very high1 Ų176.6 Ų76.61%0.00538%0.384CS..EExtended strand (participates in β ladder)trans-112.2146.9173.5-55.6-174.1000109.5I4 T5 C6 N7 L27 L44 K46 F51 I62 M66I4-L68 HydrophobicContact CD1-CD1 3.78Å; T5-L68 PolarHBondContact O-N 3.48Å; C6-L68 WeakPolarHBondContact CA-O 3.11Å; N7-L68 PolarHBondContact N-O 3.38Å; L27-L68 HydrophobicContact CD2-CD1 4.12Å; L44-L68 HydrophobicContact CD1-CD1 4.37Å; L44-L68 HydrophobicContact CD2-CB 4.41Å; K46-L68 HydrophobicContact CB-CD2 4.47Å; K46-L68 HydrophobicContact CD-CD2 4.43Å; F51-L68 HydrophobicContact CE2-CD1 4.43Å; F51-L68 HydrophobicContact CE2-CD2 3.7Å; F51-L68 HydrophobicContact CZ-CD2 3.85Å; I62-L68 HydrophobicContact CD1-CD1 4.4Å; M66-L68 HydrophobicContact CE-CD2 3.86Å; M66-L68 HydrophobicContact CG-CD2 4.31Å
69E92.7Very high91.1Very high74 Ų7473.6 Ų73.635%0.34637%0.371SS..EExtended strand (participates in β ladder)trans-90.1128.9173-60.4176.4175.800109.2L44 K45 Y71L44-E69 WeakPolarHBondContact CA-O 3.48Å; K45-E69 PolarHBondContact N-O 3.18Å; K45-E69 WeakPolarHBondContact O-CB 3.28Å; K45-E69 PolarHBondContact O-N 2.99Å; E69-Y71 HydrophobicContact CB-CD2 4.22Å; E69-Y71 HydrophobicContact CB-CE2 3.44Å; E69-Y71 VanDerWaalsContact CB-CE2 3.44Å; E69-Y71 HydrophobicContact CG-CE2 4.46Å; E69-Y71 WeakPolarHBondContact OE2-CE2 3.49Å; E69-Y71 PolarHBondContact OE2-OH 3.05Å
70L92.4Very high91Very high2 Ų270.4 Ų70.41%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-102.7128.1177-171.5155.1000108.8C6 N7 D8 I31 I42 L44 Y72C6-L70 HydrophobicContact CB-CB 4.41Å; C6-L70 HydrophobicContact CB-CD1 4.16Å; N7-L70 PolarHBondContact O-N 3.29Å; D8-L70 HydrophobicContact CB-CB 4.49Å; D8-L70 HydrophobicContact CB-CD2 4.16Å; I31-L70 HydrophobicContact CG2-CD1 3.44Å; I31-L70 VanDerWaalsContact CG2-CD1 3.44Å; I42-L70 HydrophobicContact CG2-CD1 4.24Å; I42-L70 HydrophobicContact CG2-CG 4.13Å; L44-L70 HydrophobicContact CD2-CB 4.48Å; L70-Y72 HydrophobicContact CD2-CD1 4.01Å; L70-Y72 HydrophobicContact CD2-CD2 4.26Å; L70-Y72 HydrophobicContact CD2-CE1 3.45Å; L70-Y72 VanDerWaalsContact CD2-CE1 3.45Å; L70-Y72 HydrophobicContact CD2-CE2 3.76Å; L70-Y72 HydrophobicContact CD2-CG 4.38Å; L70-Y72 WeakPolarHBondContact CD2-OH 3.3Å
71Y90.9Very high90.8Very high47 Ų4771.9 Ų71.918%0.18437%0.365CS..EExtended strand (participates in β ladder)trans-123.1148.2173.8-63.4-95.2000109.3R9 V43 K45 E69R9-Y71 HydrophobicContact CG-CD1 4.15Å; R9-Y71 HydrophobicContact CG-CE1 4.07Å; R9-Y71 VanDerWaalsContact CZ-CE1 3.45Å; R9-Y71 VanDerWaalsContact NH2-CD1 3.28Å; V43-Y71 PolarHBondContact N-O 3.47Å; V43-Y71 PolarHBondContact O-N 2.62Å; K45-Y71 HydrophobicContact CB-CD2 4.15Å; K45-Y71 HydrophobicContact CB-CE2 3.85Å; K45-Y71 HydrophobicContact CD-CD2 3.92Å; K45-Y71 HydrophobicContact CD-CE2 3.88Å; K45-Y71 HydrophobicContact CG-CD2 3.87Å; K45-Y71 HydrophobicContact CG-CE2 3.98Å; E69-Y71 HydrophobicContact CB-CD2 4.22Å; E69-Y71 HydrophobicContact CB-CE2 3.44Å; E69-Y71 VanDerWaalsContact CB-CE2 3.44Å; E69-Y71 HydrophobicContact CG-CE2 4.46Å; E69-Y71 WeakPolarHBondContact OE2-CE2 3.49Å; E69-Y71 PolarHBondContact OE2-OH 3.05Å
72Y88.3Confident90.8Very high93 Ų9365.2 Ų65.237%0.36534%0.335SS..EExtended strand (participates in β ladder)trans-103.1127.4169.4-55.8-70.2000109.3D8 T37 R41 L70D8-Y72 HydrophobicContact CB-CE2 4.4Å; D8-Y72 VanDerWaalsContact OD1-CE2 3.25Å; D8-Y72 WeakPolarHBondContact OD1-CE2 3.5Å; D8-Y72 WeakPolarHBondContact OD2-CE2 3.16Å; T37-Y72 HydrophobicContact CG2-CE1 3.92Å; R41-Y72 CarbonylContact O-C 3.55Å; R41-Y72 VanDerWaalsContact O-CA 3.31Å; R41-Y72 WeakPolarHBondContact O-CA 3.43Å; L70-Y72 HydrophobicContact CD2-CD1 4.01Å; L70-Y72 HydrophobicContact CD2-CD2 4.26Å; L70-Y72 HydrophobicContact CD2-CE1 3.45Å; L70-Y72 VanDerWaalsContact CD2-CE1 3.45Å; L70-Y72 HydrophobicContact CD2-CE2 3.76Å; L70-Y72 HydrophobicContact CD2-CG 4.38Å; L70-Y72 WeakPolarHBondContact CD2-OH 3.3Å
73Q84Confident90.8Very high181 Ų18170.6 Ų70.685%0.84636%0.364SS*.  trans-120.20169.2-70.4-165.5-3600110.7R41 V43R41-Q73 VanDerWaalsContact CA-O 3.23Å; R41-Q73 WeakPolarHBondContact CA-O 3.37Å; R41-Q73 WeakPolarHBondContact CB-O 3.48Å; R41-Q73 WeakPolarHBondContact CG-O 3.39Å; R41-Q73 PolarHBondContact O-N 3.4Å; V43-Q73 HydrophobicContact CG2-CB 4.1Å; V43-Q73 HydrophobicContact CG2-CG 3.89Å

Retrieved 73 of 73 residues in 31.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).