A0A087YDC6_POEFO Loading...

Small ubiquitin-related modifier

Ubiquitin-like protein which can be covalently attached to target lysines either as a monomer or as a lysine-linked polymer. Does not seem to be involved in protein degradation and may function as an antagonist of ubiquitin in the degradation process. Plays a role in a number of cellular processes such as nuclear transport, DNA replication and repair, mitosis and signal transduction. Covalent attachment to its substrates requires prior activation by the E1 complex sae1-sae2 and linkage to the E2 enzyme ube2i.

AlphaFold DB (A0A3B3ULF5), UniProt , Accession A0A087YDC6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 94 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
1M46.7Very low46.2Very low236 Ų236162.1 Ų162.1100%1.16383%0.834SS**  01050-75.7-138.3-175.200108
2S46Very low46.1Very low120 Ų120154.7 Ų154.784%0.83980%0.801SS**  trans-150.2115.3162.2-62.70000105.3E4S2-E4 PolarHBondContact O-N 3.22Å
3E44.4Very low46.5Very low187 Ų187155.7 Ų155.787%0.87480%0.8SS**  trans-50.1121.1-168.6-83117.378.900113.3K5E3-K5 PolarHBondContact O-N 3.08Å
4E50.5Low47.2Very low182 Ų182154.6 Ų154.685%0.8580%0.797SS**  trans-63.1105.4159-173180101.700107.8S2 P6S2-E4 PolarHBondContact O-N 3.22Å; E4-P6 WeakPolarHBondContact O-CD 3.45Å
5K45Very low48.9Very low185 Ų185147.3 Ų147.380%0.80476%0.76SS**  trans-81.6118.1176.4-140.1176.1-170.2175.80108.6E3 K7E3-K5 PolarHBondContact O-N 3.08Å; K5-K7 PolarHBondContact O-N 3.03Å
6P45Very low51Low104 Ų104142.2 Ų142.268%0.67573%0.731SS**  trans-65.9121.7-175.4-15.829.1000110.2E4 E8E4-P6 WeakPolarHBondContact O-CD 3.45Å; P6-E8 PolarHBondContact O-N 3.19Å; P6-E8 VanDerWaalsContact O-N 3.08Å
7K41.4Very low53.2Low211 Ų211133.9 Ų133.992%0.91769%0.688SS**  trans-81.775.4165.6-65.9-178.4-176.7176.10107.4K5 G9K5-K7 PolarHBondContact O-N 3.03Å; K7-G9 PolarHBondContact O-N 3.18Å
8E46.1Very low55.3Low177 Ų177129.3 Ų129.383%0.82767%0.665SS**  trans-63.6116.7175.3-144.9177.1101.800108.9P6P6-E8 PolarHBondContact O-N 3.19Å; P6-E8 VanDerWaalsContact O-N 3.08Å
9G57.7Low57.1Low66 Ų66122.5 Ų122.568%0.6863%0.63SS**  trans-75.9137.2172.500000110.6K7K7-G9 PolarHBondContact O-N 3.18Å
10V39.3Very low58.8Low99 Ų99118.8 Ų118.860%0.661%0.609SS**  trans-141.7110.8150138.50000107.4T12V10-T12 VanDerWaalsContact C-N 3.33Å; V10-T12 WeakPolarHBondContact CG1-OG1 3.18Å; V10-T12 PolarHBondContact O-N 3.27Å
11K45.7Very low60.3Low216 Ų216113.1 Ų113.194%0.93958%0.58SS**  trans-6595.3163.7-73.2179.7171.7-169.40107.5
12T45.1Very low62.4Low73 Ų73102.7 Ų102.745%0.44853%0.532SS..  trans-120.386.5153.6-38.10000105.2V10 H16V10-T12 VanDerWaalsContact C-N 3.33Å; V10-T12 WeakPolarHBondContact CG1-OG1 3.18Å; V10-T12 PolarHBondContact O-N 3.27Å; T12-H16 PolarHBondContact O-CE1 3.18Å
13E51.5Low64.4Low168 Ų16897.5 Ų97.579%0.78550%0.497SS*.THydrogen-bonded Turntrans-53.1136.3164.4-157.4168.386.700107.1
14N56.1Low66.3Low141 Ų14194.3 Ų94.375%0.75448%0.482SS*.THydrogen-bonded Turntrans107.9-3.3173.3-56.1-76.1000120.7
15D73.3Confident67.7Low45 Ų4592 Ų9224%0.24148%0.476CS..  trans-132.621.6173.4-153.4-108.3000115K34 R35 H36D15-K34 WeakPolarHBondContact O-CA 3.18Å; D15-R35 PolarHBondContact O-N 3.34Å; D15-R35 WeakPolarHBondContact OD1-CB 3.33Å; D15-R35 PolarHBondContact OD1-N 2.99Å; D15-R35 WeakPolarHBondContact OD2-CD 3.45Å; D15-R35 IonicContact OD2-CZ 3.84Å; D15-R35 IonicContact OD2-NE 2.82Å; D15-R35 IonicContact OD2-NH1 3.48Å; D15-R35 PolarHBondContact OD2-NH1 2.79Å; D15-H36 IonicContact OD1-CD2 3.75Å
16H82.8Confident69.4Low65 Ų6586.1 Ų86.130%0.30147%0.467SS..EExtended strand (participates in β ladder)trans-91.5133.6172.4-58.7106.7000110.2T12 K32 I33 K34T12-H16 PolarHBondContact O-CE1 3.18Å; H16-K32 HydrophobicContact CB-CD 4.27Å; H16-K32 HydrophobicContact CB-CG 3.86Å; H16-I33 CarbonylContact C-O 3.59Å; H16-I33 VanDerWaalsContact CA-O 3.28Å; H16-I33 WeakPolarHBondContact CA-O 3.25Å; H16-K34 WeakPolarHBondContact CD2-CG 3.49Å; H16-K34 WeakPolarHBondContact NE2-CE 3.28Å; H16-K34 WeakPolarHBondContact NE2-CG 3.35Å
17I88.8Confident71.2Confident1 Ų183.9 Ų83.91%0.00545%0.454CS..EExtended strand (participates in β ladder)trans-110.4147.7169.357.9167.4000109.5L19 K32 I33 R35 P72I17-L19 HydrophobicContact CD1-CD1 4.1Å; I17-L19 HydrophobicContact CD1-CD2 3.98Å; I17-L19 HydrophobicContact CD1-CG 3.98Å; I17-L19 HydrophobicContact CG1-CG 4.37Å; I17-K32 WeakPolarHBondContact O-CA 3.46Å; I17-I33 HydrophobicContact CG1-CG1 4.34Å; I17-I33 PolarHBondContact N-O 2.86Å; I17-I33 PolarHBondContact O-N 2.8Å; I17-I33 VanDerWaalsContact O-N 3.09Å; I17-R35 HydrophobicContact CG1-CG 4.45Å; I17-R35 HydrophobicContact CG2-CG 3.62Å; I17-P72 HydrophobicContact CD1-CB 3.33Å; I17-P72 HydrophobicContact CD1-CG 3.76Å
18N90.1Very high73.3Confident51 Ų5177.8 Ų77.827%0.27343%0.434SS..EExtended strand (participates in β ladder)trans-93.1120.3171.6-58.5-70.3000109F31 D79 E80N18-F31 CarbonylContact C-O 3.58Å; N18-F31 WeakPolarHBondContact CA-O 3.46Å; N18-D79 WeakPolarHBondContact CB-OD2 3.5Å; N18-D79 PolarHBondContact N-OD2 2.96Å; N18-D79 PolarHBondContact ND2-OD2 2.86Å; N18-E80 WeakPolarHBondContact O-CA 3.48Å; N18-E80 PolarHBondContact O-N 2.92Å
19L89.9Confident75.3Confident0 Ų071.1 Ų71.10%041%0.405CS..EExtended strand (participates in β ladder)trans-111.3132.9173.6-65.7174.9000109.7I17 Q30 F31 I33 L39 L42 P72 M77 D81 I83I17-L19 HydrophobicContact CD1-CD1 4.1Å; I17-L19 HydrophobicContact CD1-CD2 3.98Å; I17-L19 HydrophobicContact CD1-CG 3.98Å; I17-L19 HydrophobicContact CG1-CG 4.37Å; L19-Q30 CarbonylContact O-C 3.55Å; L19-Q30 WeakPolarHBondContact O-CA 3.41Å; L19-F31 PolarHBondContact N-O 3.48Å; L19-F31 PolarHBondContact O-N 2.97Å; L19-I33 HydrophobicContact CD1-CD1 3.73Å; L19-I33 HydrophobicContact CD1-CG1 4.05Å; L19-L39 HydrophobicContact CD1-CD2 3.72Å; L19-L42 HydrophobicContact CB-CD1 4.28Å; L19-L42 HydrophobicContact CD1-CD1 4.33Å; L19-P72 HydrophobicContact CD1-CG 4.44Å; L19-M77 HydrophobicContact CD1-CE 4.34Å; L19-M77 HydrophobicContact CD1-SD 4.11Å; L19-M77 HydrophobicContact CD2-CB 4.09Å; L19-M77 HydrophobicContact CD2-CE 3.75Å; L19-M77 HydrophobicContact CD2-SD 4.12Å; L19-D81 HydrophobicContact CD2-CB 3.72Å; L19-I83 HydrophobicContact CD1-CD1 4.3Å
20K91.6Very high76.8Confident49 Ų4974.3 Ų74.321%0.21340%0.403CS..EExtended strand (participates in β ladder)trans-98.4128.6176.5-57.9178.3-178.9155.50107.7V28 Q30 E80 D81 T82 I83K20-V28 HydrophobicContact CB-CG1 4.08Å; K20-Q30 HydrophobicContact CG-CG 4.13Å; K20-E80 IonicContact NZ-OE1 2.77Å; K20-E80 PolarHBondContact NZ-OE1 2.84Å; K20-D81 PolarHBondContact N-O 3.09Å; K20-T82 HydrophobicContact CB-CG2 4.43Å; K20-T82 CarbonylContact O-C 3.49Å; K20-T82 VanDerWaalsContact O-CA 3.29Å; K20-T82 WeakPolarHBondContact O-CA 3.4Å; K20-I83 PolarHBondContact O-N 2.82Å
21V90.3Very high79.1Confident0 Ų071.2 Ų71.20%038%0.381CS..EExtended strand (participates in β ladder)trans-110.6106.4178.2-175.80000107.2V28 V29 F31 L42 Y46 F59 I83 V85V21-V28 CarbonylContact O-C 3.49Å; V21-V28 WeakPolarHBondContact O-CA 3.44Å; V21-V29 WeakPolarHBondContact CB-O 3.49Å; V21-V29 PolarHBondContact N-O 3.3Å; V21-V29 PolarHBondContact O-N 3.01Å; V21-F31 HydrophobicContact CG2-CD2 3.73Å; V21-F31 HydrophobicContact CG2-CE2 4.04Å; V21-L42 HydrophobicContact CG2-CD1 3.85Å; V21-L42 HydrophobicContact CG2-CD2 3.63Å; V21-L42 HydrophobicContact CG2-CG 4.01Å; V21-Y46 HydrophobicContact CB-CD2 4.35Å; V21-Y46 HydrophobicContact CB-CE2 4.3Å; V21-Y46 HydrophobicContact CG1-CD1 4.46Å; V21-Y46 HydrophobicContact CG1-CD2 3.77Å; V21-Y46 HydrophobicContact CG1-CE1 4.28Å; V21-Y46 HydrophobicContact CG1-CE2 3.6Å; V21-Y46 HydrophobicContact CG1-CG 4.18Å; V21-F59 HydrophobicContact CG1-CE1 4.25Å; V21-I83 CarbonylContact C-O 3.52Å; V21-I83 WeakPolarHBondContact CA-O 3.3Å; V21-V85 HydrophobicContact CG1-CG2 3.32Å
22A90.8Very high81.1Confident17 Ų1767.5 Ų67.514%0.1437%0.365CS..EExtended strand (participates in β ladder)trans-95.8119.618000000110.1V28 T82 I83 V85A22-V28 HydrophobicContact CB-CG2 4.16Å; A22-T82 HydrophobicContact CB-CG2 3.87Å; A22-I83 PolarHBondContact N-O 2.95Å; A22-V85 PolarHBondContact O-N 3.18Å
23G87.5Confident83.1Confident11 Ų1165.1 Ų65.111%0.11335%0.35CS..EExtended strand (participates in β ladder)trans-83.9158169.600000111.8D25 G26 S27 Y46G23-D25 PolarHBondContact O-N 3.37Å; G23-D25 VanDerWaalsContact O-N 3.1Å; G23-G26 PolarHBondContact O-N 3.25Å; G23-S27 PolarHBondContact N-O 2.74Å; G23-Y46 WeakPolarHBondContact CA-OH 3.19Å
24Q83.7Confident84.8Confident120 Ų12060.1 Ų60.156%0.56133%0.325SS*.THydrogen-bonded Turntrans-57.1-22.8173.8-78.7177.8-46.800114.6G26 V85 F86Q24-G26 PolarHBondContact O-N 2.82Å; Q24-V85 PolarHBondContact N-O 3.18Å; Q24-F86 HydrophobicContact CG-CD1 4.39Å; Q24-F86 VanDerWaalsContact NE2-CD1 3.35Å
25D79.9Confident86.2Confident134 Ų13458.6 Ų58.672%0.71731%0.309SS*.THydrogen-bonded Turntrans-75.5-4.5176.5-173.5-113000113.1G23 S27G23-D25 PolarHBondContact O-N 3.37Å; G23-D25 VanDerWaalsContact O-N 3.1Å; D25-S27 PolarHBondContact OD1-OG 2.8Å
26G80.6Confident86.7Confident60 Ų6063.3 Ų63.362%0.61933%0.329SS*.SBendtrans830.7-171.900000113.5G23 Q24 V28G23-G26 PolarHBondContact O-N 3.25Å; Q24-G26 PolarHBondContact O-N 2.82Å; G26-V28 PolarHBondContact O-N 2.77Å
27S83Confident86.7Confident57 Ų5761.8 Ų61.840%0.39932%0.324SS..  trans-68.6119.8171.8-74.70000110.7G23 D25G23-S27 PolarHBondContact N-O 2.74Å; D25-S27 PolarHBondContact OD1-OG 2.8Å
28V86.8Confident86.6Confident84 Ų8464.5 Ų64.551%0.50934%0.342SS..EExtended strand (participates in β ladder)trans-112.7123.6176.9-176.10000110.3K20 V21 A22 G26K20-V28 HydrophobicContact CB-CG1 4.08Å; V21-V28 CarbonylContact O-C 3.49Å; V21-V28 WeakPolarHBondContact O-CA 3.44Å; A22-V28 HydrophobicContact CB-CG2 4.16Å; G26-V28 PolarHBondContact O-N 2.77Å
29V87.6Confident86.5Confident36 Ų3662.1 Ų62.122%0.21833%0.329CS..EExtended strand (participates in β ladder)trans-114.9122.6177.6-172.60000109.4V21 F31 Y46V21-V29 WeakPolarHBondContact CB-O 3.49Å; V21-V29 PolarHBondContact N-O 3.3Å; V21-V29 PolarHBondContact O-N 3.01Å; V29-F31 HydrophobicContact CB-CD2 4.47Å; V29-F31 HydrophobicContact CB-CE2 3.88Å; V29-F31 HydrophobicContact CG1-CD2 3.96Å; V29-F31 HydrophobicContact CG1-CE2 3.31Å; V29-F31 HydrophobicContact CG1-CZ 3.72Å; V29-Y46 HydrophobicContact CB-CD2 4.32Å; V29-Y46 HydrophobicContact CB-CE2 4.41Å; V29-Y46 HydrophobicContact CG2-CD2 4.12Å; V29-Y46 HydrophobicContact CG2-CE2 3.96Å
30Q88.6Confident86.4Confident134 Ų13463 Ų6363%0.62634%0.335SS*.EExtended strand (participates in β ladder)trans-93.4134.6178.9-53.9-173.136.200110.6L19 K20L19-Q30 CarbonylContact O-C 3.55Å; L19-Q30 WeakPolarHBondContact O-CA 3.41Å; K20-Q30 HydrophobicContact CG-CG 4.13Å
31F87.5Confident86.1Confident33 Ų3368 Ų6815%0.14536%0.357CS..EExtended strand (participates in β ladder)trans-125.9139.6178-74-87000110.2N18 L19 V21 V29 L42 A45 Y46N18-F31 CarbonylContact C-O 3.58Å; N18-F31 WeakPolarHBondContact CA-O 3.46Å; L19-F31 PolarHBondContact N-O 3.48Å; L19-F31 PolarHBondContact O-N 2.97Å; V21-F31 HydrophobicContact CG2-CD2 3.73Å; V21-F31 HydrophobicContact CG2-CE2 4.04Å; V29-F31 HydrophobicContact CB-CD2 4.47Å; V29-F31 HydrophobicContact CB-CE2 3.88Å; V29-F31 HydrophobicContact CG1-CD2 3.96Å; V29-F31 HydrophobicContact CG1-CE2 3.31Å; V29-F31 HydrophobicContact CG1-CZ 3.72Å; F31-L42 HydrophobicContact CB-CD1 3.64Å; F31-L42 HydrophobicContact CB-CG 4.21Å; F31-L42 HydrophobicContact CD1-CG 4.37Å; F31-L42 HydrophobicContact CD2-CD1 3.84Å; F31-L42 HydrophobicContact CD2-CG 3.72Å; F31-L42 HydrophobicContact CE2-CG 4.1Å; F31-L42 HydrophobicContact CG-CD1 3.83Å; F31-L42 HydrophobicContact CG-CG 3.85Å; F31-A45 HydrophobicContact CE1-CB 3.73Å; F31-A45 HydrophobicContact CZ-CB 4.06Å; F31-Y46 HydrophobicContact CE2-CD2 4.49Å
32K88.3Confident86Confident139 Ų13968.1 Ų68.160%0.60436%0.358SS*.EExtended strand (participates in β ladder)trans-110.5113.9174.1-174.2170.2-176.1166.40109.3H16 I17H16-K32 HydrophobicContact CB-CD 4.27Å; H16-K32 HydrophobicContact CB-CG 3.86Å; I17-K32 WeakPolarHBondContact O-CA 3.46Å
33I87.8Confident85.8Confident23 Ų2367.6 Ų67.612%0.11835%0.352CS..EExtended strand (participates in β ladder)trans-135.7165.3-178.365.3166.7000110.7H16 I17 L19 L39 P72H16-I33 CarbonylContact C-O 3.59Å; H16-I33 VanDerWaalsContact CA-O 3.28Å; H16-I33 WeakPolarHBondContact CA-O 3.25Å; I17-I33 HydrophobicContact CG1-CG1 4.34Å; I17-I33 PolarHBondContact N-O 2.86Å; I17-I33 PolarHBondContact O-N 2.8Å; I17-I33 VanDerWaalsContact O-N 3.09Å; L19-I33 HydrophobicContact CD1-CD1 3.73Å; L19-I33 HydrophobicContact CD1-CG1 4.05Å; I33-L39 HydrophobicContact CD1-CD2 3.52Å; I33-P72 HydrophobicContact CD1-CG 3.8Å; I33-P72 HydrophobicContact CG1-CG 4.46Å
34K86.5Confident85.8Confident62 Ų6272 Ų7227%0.2737%0.368SS..EExtended strand (participates in β ladder)trans-83.3151174.6-58.1178.5177.7-177.10111.4D15 H16 H36 T37D15-K34 WeakPolarHBondContact O-CA 3.18Å; H16-K34 WeakPolarHBondContact CD2-CG 3.49Å; H16-K34 WeakPolarHBondContact NE2-CE 3.28Å; H16-K34 WeakPolarHBondContact NE2-CG 3.35Å; K34-H36 PolarHBondContact O-N 3.23Å; K34-T37 WeakPolarHBondContact CB-OG1 3.12Å; K34-T37 WeakPolarHBondContact O-CB 3.4Å; K34-T37 PolarHBondContact O-N 3.33Å
35R84.5Confident86Confident109 Ų10967.7 Ų67.741%0.41135%0.354SS..THydrogen-bonded Turntrans-59.7-30.1-177.7-59.2-178.2179.6133.4-9.3113.9D15 I17 P72 A73D15-R35 PolarHBondContact O-N 3.34Å; D15-R35 WeakPolarHBondContact OD1-CB 3.33Å; D15-R35 PolarHBondContact OD1-N 2.99Å; D15-R35 WeakPolarHBondContact OD2-CD 3.45Å; D15-R35 IonicContact OD2-CZ 3.84Å; D15-R35 IonicContact OD2-NE 2.82Å; D15-R35 IonicContact OD2-NH1 3.48Å; D15-R35 PolarHBondContact OD2-NH1 2.79Å; I17-R35 HydrophobicContact CG1-CG 4.45Å; I17-R35 HydrophobicContact CG2-CG 3.62Å; R35-P72 WeakPolarHBondContact O-CD 3.48Å; R35-A73 PolarHBondContact O-N 2.83Å; R35-A73 VanDerWaalsContact O-N 3.15Å
36H83.4Confident86.3Confident144 Ų14461.5 Ų61.567%0.66732%0.32SS*.THydrogen-bonded Turntrans-94.62178-65.2-77000114D15 K34D15-H36 IonicContact OD1-CD2 3.75Å; K34-H36 PolarHBondContact O-N 3.23Å
37T84.2Confident86.5Confident33 Ų3360 Ų6020%0.20230%0.3CS..SBendtrans-86.6134.9177.7-61.60000109.9K34 P72K34-T37 WeakPolarHBondContact CB-OG1 3.12Å; K34-T37 WeakPolarHBondContact O-CB 3.4Å; K34-T37 PolarHBondContact O-N 3.33Å; T37-P72 WeakPolarHBondContact O-CD 3.35Å
38P87.1Confident86.6Confident58 Ų5864.6 Ų64.638%0.37732%0.315SS..  trans-65.3144.5177.925.6-34.7000112.2S40P38-S40 PolarHBondContact O-N 2.94Å
39L87.3Confident86.4Confident2 Ų270.1 Ų70.11%0.0133%0.327CS..THydrogen-bonded Turntrans-70-9.6-178.7-67.2168.7000113.7L19 I33 K41 L42 M43 I66 D70 P72 L75 M77L19-L39 HydrophobicContact CD1-CD2 3.72Å; I33-L39 HydrophobicContact CD1-CD2 3.52Å; L39-K41 PolarHBondContact O-N 3.4Å; L39-K41 VanDerWaalsContact O-N 3.1Å; L39-L42 HydrophobicContact CD2-CD1 4.49Å; L39-L42 PolarHBondContact O-N 3.45Å; L39-M43 PolarHBondContact O-N 3.02Å; L39-I66 HydrophobicContact CB-CG2 4.44Å; L39-I66 HydrophobicContact CD1-CG2 3.47Å; L39-I66 VanDerWaalsContact CD1-CG2 3.47Å; L39-D70 PolarHBondContact N-O 3.48Å; L39-P72 HydrophobicContact CD2-CG 4.18Å; L39-L75 HydrophobicContact CD1-CD1 3.73Å; L39-M77 HydrophobicContact CD1-SD 4.09Å
40S87.4Confident86Confident17 Ų1771.6 Ų71.612%0.11933%0.332CS..Hα-helixtrans-48.4-38.9175-171.10000113.5P38 K44 E68P38-S40 PolarHBondContact O-N 2.94Å; S40-K44 WeakPolarHBondContact O-CB 3.34Å; S40-K44 WeakPolarHBondContact O-CG 3.29Å; S40-K44 PolarHBondContact O-N 3.03Å; S40-K44 PolarHBondContact OG-NZ 3.2Å; S40-E68 VanDerWaalsContact CB-O 3.26Å; S40-E68 WeakPolarHBondContact CB-O 3.43Å; S40-E68 PolarHBondContact N-O 2.89Å; S40-E68 PolarHBondContact OG-OE2 2.97Å
41K86.5Confident85.7Confident154 Ų15468.4 Ų68.467%0.6734%0.335SS*.Hα-helixtrans-66-42.8178.9-77.3-175.7179.7171.40112.4L39 A45L39-K41 PolarHBondContact O-N 3.4Å; L39-K41 VanDerWaalsContact O-N 3.1Å; K41-A45 VanDerWaalsContact O-CB 3.3Å; K41-A45 WeakPolarHBondContact O-CB 3.26Å; K41-A45 PolarHBondContact O-N 3.4Å
42L87.8Confident85.5Confident3 Ų368.4 Ų68.42%0.01634%0.336CS..Hα-helixtrans-66.2-46.2179174.3158.3000110.1L19 V21 F31 L39 K44 A45 Y46 F59 I83L19-L42 HydrophobicContact CB-CD1 4.28Å; L19-L42 HydrophobicContact CD1-CD1 4.33Å; V21-L42 HydrophobicContact CG2-CD1 3.85Å; V21-L42 HydrophobicContact CG2-CD2 3.63Å; V21-L42 HydrophobicContact CG2-CG 4.01Å; F31-L42 HydrophobicContact CB-CD1 3.64Å; F31-L42 HydrophobicContact CB-CG 4.21Å; F31-L42 HydrophobicContact CD1-CG 4.37Å; F31-L42 HydrophobicContact CD2-CD1 3.84Å; F31-L42 HydrophobicContact CD2-CG 3.72Å; F31-L42 HydrophobicContact CE2-CG 4.1Å; F31-L42 HydrophobicContact CG-CD1 3.83Å; F31-L42 HydrophobicContact CG-CG 3.85Å; L39-L42 HydrophobicContact CD2-CD1 4.49Å; L39-L42 PolarHBondContact O-N 3.45Å; L42-K44 PolarHBondContact O-N 3Å; L42-A45 PolarHBondContact O-N 2.75Å; L42-Y46 VanDerWaalsContact O-CB 3.29Å; L42-Y46 WeakPolarHBondContact O-CB 3.47Å; L42-Y46 PolarHBondContact O-N 2.98Å; L42-F59 HydrophobicContact CD2-CE1 4.32Å; L42-I83 HydrophobicContact CD1-CD1 4.37Å; L42-I83 HydrophobicContact CD2-CD1 4.48Å
43M86.6Confident85.1Confident6 Ų664.9 Ų64.93%0.0333%0.329CS..Hα-helixtrans-59.9-46.2178.3-67.7178.6161.400112.1L39 Y46 C47 I54 F59 I66 E68L39-M43 PolarHBondContact O-N 3.02Å; M43-Y46 PolarHBondContact O-N 2.76Å; M43-C47 WeakPolarHBondContact O-CB 3.2Å; M43-C47 PolarHBondContact O-N 3.15Å; M43-I54 HydrophobicContact CB-CD1 3.79Å; M43-I54 HydrophobicContact SD-CD1 4.07Å; M43-F59 HydrophobicContact CB-CE2 3.86Å; M43-F59 HydrophobicContact CB-CZ 3.88Å; M43-F59 HydrophobicContact CE-CB 3.67Å; M43-F59 HydrophobicContact CE-CD1 4.49Å; M43-F59 HydrophobicContact CE-CD2 3.49Å; M43-F59 VanDerWaalsContact CE-CD2 3.49Å; M43-F59 HydrophobicContact CE-CE2 4.25Å; M43-F59 HydrophobicContact CE-CG 3.64Å; M43-F59 HydrophobicContact CG-CD1 4.29Å; M43-F59 HydrophobicContact CG-CD2 3.79Å; M43-F59 HydrophobicContact CG-CE1 4.12Å; M43-F59 HydrophobicContact CG-CE2 3.58Å; M43-F59 HydrophobicContact CG-CG 4.14Å; M43-F59 HydrophobicContact CG-CZ 3.76Å; M43-F59 HydrophobicContact SD-CD2 4.01Å; M43-F59 HydrophobicContact SD-CE2 4.19Å; M43-I66 HydrophobicContact CE-CB 3.95Å; M43-I66 HydrophobicContact CE-CG2 3.59Å; M43-I66 VanDerWaalsContact CE-O 3.29Å; M43-I66 WeakPolarHBondContact CE-O 3.4Å; M43-E68 HydrophobicContact SD-CB 3.8Å
44K86.5Confident84.7Confident103 Ų10366.9 Ų66.945%0.44834%0.339SS..Hα-helixtrans-63.2-47.7177.2-75.7169.7179.81520111.7S40 L42 Y46 C47 E48 E68S40-K44 WeakPolarHBondContact O-CB 3.34Å; S40-K44 WeakPolarHBondContact O-CG 3.29Å; S40-K44 PolarHBondContact O-N 3.03Å; S40-K44 PolarHBondContact OG-NZ 3.2Å; L42-K44 PolarHBondContact O-N 3Å; K44-Y46 VanDerWaalsContact C-N 3.28Å; K44-Y46 PolarHBondContact O-N 3.1Å; K44-C47 WeakPolarHBondContact O-CB 3.4Å; K44-C47 PolarHBondContact O-N 2.95Å; K44-E48 WeakPolarHBondContact O-CG 3.33Å; K44-E48 PolarHBondContact O-N 3.19Å; K44-E68 IonicContact NZ-OE2 3.63Å; K44-E68 PolarHBondContact NZ-OE2 2.82Å
45A87.6Confident84.4Confident31 Ų3174.6 Ų74.626%0.25637%0.367SS..Hα-helixtrans-61.7-36.9178.500000112.5F31 K41 L42 R49F31-A45 HydrophobicContact CE1-CB 3.73Å; F31-A45 HydrophobicContact CZ-CB 4.06Å; K41-A45 VanDerWaalsContact O-CB 3.3Å; K41-A45 WeakPolarHBondContact O-CB 3.26Å; K41-A45 PolarHBondContact O-N 3.4Å; L42-A45 PolarHBondContact O-N 2.75Å; A45-R49 WeakPolarHBondContact O-CB 3.37Å; A45-R49 WeakPolarHBondContact O-CG 3.32Å; A45-R49 PolarHBondContact O-N 3.04Å
46Y86.7Confident84.3Confident3 Ų373.1 Ų73.11%0.01236%0.364CS..Hα-helixtrans-70.1-42.7176-175.4-102000112.3V21 G23 V29 F31 L42 M43 K44 R49 Q50 I57 F59 V85V21-Y46 HydrophobicContact CB-CD2 4.35Å; V21-Y46 HydrophobicContact CB-CE2 4.3Å; V21-Y46 HydrophobicContact CG1-CD1 4.46Å; V21-Y46 HydrophobicContact CG1-CD2 3.77Å; V21-Y46 HydrophobicContact CG1-CE1 4.28Å; V21-Y46 HydrophobicContact CG1-CE2 3.6Å; V21-Y46 HydrophobicContact CG1-CG 4.18Å; G23-Y46 WeakPolarHBondContact CA-OH 3.19Å; V29-Y46 HydrophobicContact CB-CD2 4.32Å; V29-Y46 HydrophobicContact CB-CE2 4.41Å; V29-Y46 HydrophobicContact CG2-CD2 4.12Å; V29-Y46 HydrophobicContact CG2-CE2 3.96Å; F31-Y46 HydrophobicContact CE2-CD2 4.49Å; L42-Y46 VanDerWaalsContact O-CB 3.29Å; L42-Y46 WeakPolarHBondContact O-CB 3.47Å; L42-Y46 PolarHBondContact O-N 2.98Å; M43-Y46 PolarHBondContact O-N 2.76Å; K44-Y46 VanDerWaalsContact C-N 3.28Å; K44-Y46 PolarHBondContact O-N 3.1Å; Y46-R49 PolarHBondContact O-N 3.46Å; Y46-Q50 PolarHBondContact O-N 2.78Å; Y46-Q50 PolarHBondContact OH-NE2 3.46Å; Y46-I57 HydrophobicContact CD1-CD1 4.01Å; Y46-I57 HydrophobicContact CE1-CD1 4.32Å; Y46-F59 AromaticContact CD1-CE1 3.8Å; Y46-F59 HydrophobicContact CD1-CE1 3.8Å; Y46-F59 AromaticContact CD1-CZ 3.74Å; Y46-F59 HydrophobicContact CD1-CZ 3.74Å; Y46-F59 HydrophobicContact CE1-CE1 4.25Å; Y46-F59 HydrophobicContact CE1-CZ 4.4Å; Y46-F59 HydrophobicContact CG-CE1 4.33Å; Y46-F59 HydrophobicContact CG-CZ 4.46Å; Y46-V85 HydrophobicContact CD1-CG2 4.45Å; Y46-V85 HydrophobicContact CE1-CB 3.93Å; Y46-V85 HydrophobicContact CE1-CG1 3.68Å; Y46-V85 HydrophobicContact CE1-CG2 3.72Å
47C84.8Confident84.4Confident29 Ų2966.6 Ų66.620%0.19633%0.334CS..Hα-helixtrans-56.8-47171.61560000111.4M43 K44 G51 L52M43-C47 WeakPolarHBondContact O-CB 3.2Å; M43-C47 PolarHBondContact O-N 3.15Å; K44-C47 WeakPolarHBondContact O-CB 3.4Å; K44-C47 PolarHBondContact O-N 2.95Å; C47-G51 WeakPolarHBondContact O-CA 3.33Å; C47-G51 PolarHBondContact O-N 2.84Å; C47-L52 WeakPolarHBondContact CA-O 3.41Å; C47-L52 WeakPolarHBondContact CB-O 3.2Å; C47-L52 PolarHBondContact O-N 3.12Å; C47-L52 VanDerWaalsContact O-N 3.12Å; C47-L52 PolarHBondContact SG-O 2.88Å
48E85.1Confident84.6Confident154 Ų15472 Ų7272%0.7235%0.351SS*.Hα-helixtrans-65.4-40175.9-72-176.697.100112.6K44 G51K44-E48 WeakPolarHBondContact O-CG 3.33Å; K44-E48 PolarHBondContact O-N 3.19Å; E48-G51 PolarHBondContact O-N 3.38Å
49R82.3Confident84.7Confident199 Ų19969.6 Ų69.675%0.75134%0.335SS*.Hα-helixtrans-64.1-43.3178.5-79.2-101.9-161.7-177.25113.2A45 Y46A45-R49 WeakPolarHBondContact O-CB 3.37Å; A45-R49 WeakPolarHBondContact O-CG 3.32Å; A45-R49 PolarHBondContact O-N 3.04Å; Y46-R49 PolarHBondContact O-N 3.46Å
50Q80.1Confident84.8Confident68 Ų6875 Ų7532%0.31836%0.355SS..Hα-helixtrans-87.8-13.9179.1-89.4-174.2106.400113.6Y46 L52Y46-Q50 PolarHBondContact O-N 2.78Å; Y46-Q50 PolarHBondContact OH-NE2 3.46Å; Q50-L52 HydrophobicContact CB-CB 4.36Å; Q50-L52 HydrophobicContact CB-CD1 3.78Å; Q50-L52 HydrophobicContact CB-CG 3.86Å; Q50-L52 HydrophobicContact CG-CD1 4.28Å; Q50-L52 PolarHBondContact O-N 2.73Å
51G82.2Confident84.9Confident67 Ų6775.1 Ų75.169%0.69135%0.353SS*.THydrogen-bonded Turntrans68.324.3-171.900000113.4C47 E48C47-G51 WeakPolarHBondContact O-CA 3.33Å; C47-G51 PolarHBondContact O-N 2.84Å; E48-G51 PolarHBondContact O-N 3.38Å
52L82.9Confident84.9Confident32 Ų3274.5 Ų74.517%0.16836%0.357CS..  trans-102.6143.5179.9-65.8171.2000110.1C47 Q50 I57 Q87C47-L52 WeakPolarHBondContact CA-O 3.41Å; C47-L52 WeakPolarHBondContact CB-O 3.2Å; C47-L52 PolarHBondContact O-N 3.12Å; C47-L52 VanDerWaalsContact O-N 3.12Å; C47-L52 PolarHBondContact SG-O 2.88Å; Q50-L52 HydrophobicContact CB-CB 4.36Å; Q50-L52 HydrophobicContact CB-CD1 3.78Å; Q50-L52 HydrophobicContact CB-CG 3.86Å; Q50-L52 HydrophobicContact CG-CD1 4.28Å; Q50-L52 PolarHBondContact O-N 2.73Å; L52-I57 HydrophobicContact CB-CG2 4.22Å; L52-I57 HydrophobicContact CD1-CG2 3.91Å; L52-Q87 VanDerWaalsContact CD1-CD 3.42Å; L52-Q87 HydrophobicContact CD1-CG 3.83Å; L52-Q87 VanDerWaalsContact CD1-NE2 3.34Å
53S80.1Confident84.7Confident65 Ų6576.8 Ų76.846%0.45538%0.381SS..  trans-76.1141.6174.6-70.20000112R55 Q56 I57S53-R55 PolarHBondContact O-N 2.9Å; S53-Q56 WeakPolarHBondContact O-CA 3.4Å; S53-Q56 WeakPolarHBondContact O-CB 3.29Å; S53-Q56 PolarHBondContact O-N 2.72Å; S53-I57 PolarHBondContact O-N 2.98Å
54I80.1Confident84.8Confident66 Ų6682.1 Ų82.134%0.33841%0.406SS..G310 helixtrans-55-26.4175.1-160.3163.8000113.2M43 Q56 F59M43-I54 HydrophobicContact CB-CD1 3.79Å; M43-I54 HydrophobicContact SD-CD1 4.07Å; I54-Q56 VanDerWaalsContact C-N 3.32Å; I54-F59 HydrophobicContact CG1-CE2 4.42Å
55R79.8Confident84.9Confident224 Ų22481.2 Ų81.285%0.84541%0.411SS*.G310 helixtrans-71.9-23.8174.9-111175.2176.7-161.5-1.9114.1S53 Q88S53-R55 PolarHBondContact O-N 2.9Å; R55-Q88 PolarHBondContact O-OE1 2.86Å
56Q81.4Confident85Confident78 Ų7880.3 Ų80.336%0.36440%0.401SS..G310 helixtrans-95.3-3.4-179.8-65.4179.3-78.300112.1S53 I54 Q87 Q88S53-Q56 WeakPolarHBondContact O-CA 3.4Å; S53-Q56 WeakPolarHBondContact O-CB 3.29Å; S53-Q56 PolarHBondContact O-N 2.72Å; I54-Q56 VanDerWaalsContact C-N 3.32Å; Q56-Q87 CarbonylContact O-C 3.54Å; Q56-Q87 WeakPolarHBondContact O-CA 3.43Å; Q56-Q88 WeakPolarHBondContact O-CB 3.49Å; Q56-Q88 PolarHBondContact O-N 3.29Å
57I86.4Confident85.1Confident7 Ų784.6 Ų84.64%0.03643%0.425CS..EExtended strand (participates in β ladder)trans-124.9146.6178.456.2177.6000110Y46 L52 S53 F59 V85 F86 Q87Y46-I57 HydrophobicContact CD1-CD1 4.01Å; Y46-I57 HydrophobicContact CE1-CD1 4.32Å; L52-I57 HydrophobicContact CB-CG2 4.22Å; L52-I57 HydrophobicContact CD1-CG2 3.91Å; S53-I57 PolarHBondContact O-N 2.98Å; I57-F59 HydrophobicContact CD1-CE2 3.5Å; I57-F59 HydrophobicContact CD1-CZ 3.48Å; I57-F59 VanDerWaalsContact CD1-CZ 3.48Å; I57-F59 HydrophobicContact CG1-CE2 3.8Å; I57-F59 HydrophobicContact CG1-CZ 4.27Å; I57-V85 HydrophobicContact CB-CG1 3.84Å; I57-V85 HydrophobicContact CD1-CG1 4.39Å; I57-V85 HydrophobicContact CG2-CG1 4.18Å; I57-F86 CarbonylContact C-O 3.56Å; I57-F86 VanDerWaalsContact CA-O 3.32Å; I57-F86 WeakPolarHBondContact CA-O 3.45Å; I57-Q87 HydrophobicContact CG2-CG 3.6Å
58R87.3Confident85Confident146 Ų14687.1 Ų87.155%0.55143%0.434SS*.EExtended strand (participates in β ladder)trans-122.7123.8173.4-72.2-174175.4-123.82.6108.6V85 F86 Q88R58-V85 WeakPolarHBondContact O-CA 3.45Å; R58-F86 PolarHBondContact N-O 3.26Å; R58-F86 PolarHBondContact O-N 3.22Å; R58-Q88 HydrophobicContact CG-CG 4.28Å
59F89Confident85.1Confident8 Ų884.9 Ų84.94%0.03543%0.431CS..EExtended strand (participates in β ladder)trans-87.7131.3173.1-61.6-96.5000108.2V21 L42 M43 Y46 I54 I57 I66 I83 D84 V85V21-F59 HydrophobicContact CG1-CE1 4.25Å; L42-F59 HydrophobicContact CD2-CE1 4.32Å; M43-F59 HydrophobicContact CB-CE2 3.86Å; M43-F59 HydrophobicContact CB-CZ 3.88Å; M43-F59 HydrophobicContact CE-CB 3.67Å; M43-F59 HydrophobicContact CE-CD1 4.49Å; M43-F59 HydrophobicContact CE-CD2 3.49Å; M43-F59 VanDerWaalsContact CE-CD2 3.49Å; M43-F59 HydrophobicContact CE-CE2 4.25Å; M43-F59 HydrophobicContact CE-CG 3.64Å; M43-F59 HydrophobicContact CG-CD1 4.29Å; M43-F59 HydrophobicContact CG-CD2 3.79Å; M43-F59 HydrophobicContact CG-CE1 4.12Å; M43-F59 HydrophobicContact CG-CE2 3.58Å; M43-F59 HydrophobicContact CG-CG 4.14Å; M43-F59 HydrophobicContact CG-CZ 3.76Å; M43-F59 HydrophobicContact SD-CD2 4.01Å; M43-F59 HydrophobicContact SD-CE2 4.19Å; Y46-F59 AromaticContact CD1-CE1 3.8Å; Y46-F59 HydrophobicContact CD1-CE1 3.8Å; Y46-F59 AromaticContact CD1-CZ 3.74Å; Y46-F59 HydrophobicContact CD1-CZ 3.74Å; Y46-F59 HydrophobicContact CE1-CE1 4.25Å; Y46-F59 HydrophobicContact CE1-CZ 4.4Å; Y46-F59 HydrophobicContact CG-CE1 4.33Å; Y46-F59 HydrophobicContact CG-CZ 4.46Å; I54-F59 HydrophobicContact CG1-CE2 4.42Å; I57-F59 HydrophobicContact CD1-CE2 3.5Å; I57-F59 HydrophobicContact CD1-CZ 3.48Å; I57-F59 VanDerWaalsContact CD1-CZ 3.48Å; I57-F59 HydrophobicContact CG1-CE2 3.8Å; I57-F59 HydrophobicContact CG1-CZ 4.27Å; F59-I66 HydrophobicContact CB-CB 4.04Å; F59-I66 HydrophobicContact CB-CD1 4.25Å; F59-I66 PolarHBondContact O-N 2.8Å; F59-I83 HydrophobicContact CB-CG2 4.07Å; F59-I83 HydrophobicContact CD1-CG2 3.91Å; F59-D84 CarbonylContact C-O 3.52Å; F59-D84 WeakPolarHBondContact CA-O 3.47Å; F59-V85 HydrophobicContact CD1-CG1 4.42Å; F59-V85 HydrophobicContact CD1-CG2 3.46Å; F59-V85 VanDerWaalsContact CD1-CG2 3.46Å; F59-V85 HydrophobicContact CE1-CG1 4.3Å; F59-V85 HydrophobicContact CE1-CG2 3.55Å; F59-V85 HydrophobicContact CG-CG2 4.36Å
60R90.3Very high85.4Confident115 Ų11576.6 Ų76.643%0.43440%0.401SS..EExtended strand (participates in β ladder)trans-127.3141.7173.9-82-173.5166.3177.5-4.4109.8Q64 D84 F86R60-Q64 CarbonylContact C-O 3.54Å; R60-Q64 WeakPolarHBondContact CA-O 3.29Å; R60-D84 PolarHBondContact N-O 3Å; R60-D84 PolarHBondContact O-N 2.79Å; R60-F86 HydrophobicContact CB-CD2 4.31Å; R60-F86 HydrophobicContact CB-CE2 4.08Å; R60-F86 HydrophobicContact CG-CD2 4.36Å; R60-F86 HydrophobicContact CG-CE2 4.4Å
61F89.4Confident85.7Confident19 Ų1974.5 Ų74.58%0.08339%0.393CS..EExtended strand (participates in β ladder)trans-129125.4171.8178.9-109.5000107.6G63 Q64 I66 L75 M77 D81 T82 I83F61-G63 PolarHBondContact O-N 3.13Å; F61-Q64 PolarHBondContact N-O 2.81Å; F61-Q64 WeakPolarHBondContact O-CA 3.41Å; F61-Q64 WeakPolarHBondContact O-CB 3.29Å; F61-Q64 PolarHBondContact O-N 2.74Å; F61-I66 HydrophobicContact CB-CD1 3.42Å; F61-I66 VanDerWaalsContact CB-CD1 3.42Å; F61-I66 HydrophobicContact CB-CG1 3.72Å; F61-L75 HydrophobicContact CD1-CB 4.32Å; F61-L75 WeakPolarHBondContact CE1-O 3.32Å; F61-M77 HydrophobicContact CB-CE 4.2Å; F61-M77 HydrophobicContact CD1-CE 4.13Å; F61-M77 HydrophobicContact CD1-CG 4.13Å; F61-M77 HydrophobicContact CD2-CE 3.25Å; F61-M77 HydrophobicContact CE1-CE 4.32Å; F61-M77 HydrophobicContact CE1-CG 3.82Å; F61-M77 HydrophobicContact CE2-CE 3.49Å; F61-M77 VanDerWaalsContact CE2-CE 3.49Å; F61-M77 HydrophobicContact CE2-CG 4.37Å; F61-M77 HydrophobicContact CG-CE 3.59Å; F61-M77 HydrophobicContact CZ-CB 4.3Å; F61-M77 HydrophobicContact CZ-CE 4.02Å; F61-M77 HydrophobicContact CZ-CG 3.95Å; F61-D81 HydrophobicContact CE2-CB 3.81Å; F61-D81 VanDerWaalsContact CE2-CG 3.4Å; F61-D81 WeakPolarHBondContact CE2-OD1 3.21Å; F61-D81 HydrophobicContact CZ-CB 4.23Å; F61-D81 VanDerWaalsContact CZ-CG 3.43Å; F61-D81 VanDerWaalsContact CZ-OD1 3.29Å; F61-D81 WeakPolarHBondContact CZ-OD1 3.16Å; F61-T82 WeakPolarHBondContact CD2-O 3.49Å; F61-I83 HydrophobicContact CD2-CG1 4.41Å
62D86.4Confident85.9Confident142 Ų14271.3 Ų71.376%0.75936%0.36SS*.THydrogen-bonded Turntrans48.334.2-176.2-152.5-115.4000113.7Q64D62-Q64 VanDerWaalsContact C-N 3.27Å; D62-Q64 PolarHBondContact O-N 3.18Å
63G84.3Confident86.1Confident50 Ų5072 Ų7252%0.51537%0.371SS..THydrogen-bonded Turntrans80.8-10.4-176.200000115.9F61F61-G63 PolarHBondContact O-N 3.13Å
64Q87.9Confident86.5Confident119 Ų11975.1 Ų75.156%0.55638%0.378SS*.EExtended strand (participates in β ladder)trans-84138174-63.8-173.1-89.300111.7R60 F61 D62R60-Q64 CarbonylContact C-O 3.54Å; R60-Q64 WeakPolarHBondContact CA-O 3.29Å; F61-Q64 PolarHBondContact N-O 2.81Å; F61-Q64 WeakPolarHBondContact O-CA 3.41Å; F61-Q64 WeakPolarHBondContact O-CB 3.29Å; F61-Q64 PolarHBondContact O-N 2.74Å; D62-Q64 VanDerWaalsContact C-N 3.27Å; D62-Q64 PolarHBondContact O-N 3.18Å
65P88.9Confident86.8Confident83 Ų8373.1 Ų73.154%0.53937%0.368SS..EExtended strand (participates in β ladder)trans-70131.7174.829.4-32.8000110.8
66I90.1Very high87.1Confident12 Ų1270.6 Ų70.66%0.06237%0.366CS..PPolyproline II helixtrans-94.8134.1176.6-54.8174.8000109.3L39 M43 F59 F61 D70 L75 I83L39-I66 HydrophobicContact CB-CG2 4.44Å; L39-I66 HydrophobicContact CD1-CG2 3.47Å; L39-I66 VanDerWaalsContact CD1-CG2 3.47Å; M43-I66 HydrophobicContact CE-CB 3.95Å; M43-I66 HydrophobicContact CE-CG2 3.59Å; M43-I66 VanDerWaalsContact CE-O 3.29Å; M43-I66 WeakPolarHBondContact CE-O 3.4Å; F59-I66 HydrophobicContact CB-CB 4.04Å; F59-I66 HydrophobicContact CB-CD1 4.25Å; F59-I66 PolarHBondContact O-N 2.8Å; F61-I66 HydrophobicContact CB-CD1 3.42Å; F61-I66 VanDerWaalsContact CB-CD1 3.42Å; F61-I66 HydrophobicContact CB-CG1 3.72Å; I66-D70 HydrophobicContact CG2-CB 4.36Å; I66-L75 HydrophobicContact CB-CD1 4.4Å; I66-L75 HydrophobicContact CD1-CD1 4.43Å; I66-L75 HydrophobicContact CG1-CD1 3.99Å; I66-L75 HydrophobicContact CG2-CD1 3.86Å; I66-I83 HydrophobicContact CD1-CB 4.36Å; I66-I83 HydrophobicContact CD1-CD1 3.99Å; I66-I83 HydrophobicContact CD1-CG1 3.89Å; I66-I83 HydrophobicContact CD1-CG2 3.65Å
67N88Confident87.3Confident94 Ų9467.4 Ų67.450%0.50335%0.351SS..PPolyproline II helixtrans-101.1162.6169.7-50.6-80.7000111.6T69 D70N67-T69 PolarHBondContact O-N 3.39Å; N67-D70 WeakPolarHBondContact CA-OD2 3.35Å; N67-D70 WeakPolarHBondContact CB-OD2 3.48Å; N67-D70 PolarHBondContact N-OD2 3.28Å; N67-D70 PolarHBondContact ND2-OD2 2.88Å; N67-D70 WeakPolarHBondContact O-CB 3.11Å; N67-D70 PolarHBondContact O-N 3.13Å; N67-D70 VanDerWaalsContact O-N 3.13Å
68E84.2Confident87.4Confident82 Ų8274 Ų7438%0.38338%0.382SS..THydrogen-bonded Turntrans-67.7-22179.671.5173107.800113.5S40 M43 K44S40-E68 VanDerWaalsContact CB-O 3.26Å; S40-E68 WeakPolarHBondContact CB-O 3.43Å; S40-E68 PolarHBondContact N-O 2.89Å; S40-E68 PolarHBondContact OG-OE2 2.97Å; M43-E68 HydrophobicContact SD-CB 3.8Å; K44-E68 IonicContact NZ-OE2 3.63Å; K44-E68 PolarHBondContact NZ-OE2 2.82Å
69T86.4Confident87.3Confident107 Ų10770.9 Ų70.966%0.65638%0.376SS*.THydrogen-bonded Turntrans-83.1-15.1176.253.70000113N67N67-T69 PolarHBondContact O-N 3.39Å
70D88.6Confident87.3Confident24 Ų2476 Ų7613%0.12840%0.4CS..  trans-69.3146.4180-74.3-62.4000110.8L39 I66 N67 L75L39-D70 PolarHBondContact N-O 3.48Å; I66-D70 HydrophobicContact CG2-CB 4.36Å; N67-D70 WeakPolarHBondContact CA-OD2 3.35Å; N67-D70 WeakPolarHBondContact CB-OD2 3.48Å; N67-D70 PolarHBondContact N-OD2 3.28Å; N67-D70 PolarHBondContact ND2-OD2 2.88Å; N67-D70 WeakPolarHBondContact O-CB 3.11Å; N67-D70 PolarHBondContact O-N 3.13Å; N67-D70 VanDerWaalsContact O-N 3.13Å; D70-L75 HydrophobicContact CB-CD1 3.85Å; D70-L75 HydrophobicContact CB-CG 4.33Å
71T87.1Confident87.3Confident24 Ų2472.6 Ų72.615%0.14739%0.39CS..  trans-108.2148175.356.20000109.5A73 Q74 L75T71-A73 PolarHBondContact O-N 3.03Å; T71-Q74 PolarHBondContact O-N 2.76Å; T71-Q74 PolarHBondContact OG1-N 3.05Å; T71-Q74 PolarHBondContact OG1-OE1 3.44Å; T71-L75 PolarHBondContact O-N 2.97Å
72P86.1Confident87.4Confident0 Ų074.5 Ų74.50%040%0.404CS..THydrogen-bonded Turntrans-52.1-38.1172.5-20.524.5000112.7I17 L19 I33 R35 T37 L39 Q74 L75 E76 M77I17-P72 HydrophobicContact CD1-CB 3.33Å; I17-P72 HydrophobicContact CD1-CG 3.76Å; L19-P72 HydrophobicContact CD1-CG 4.44Å; I33-P72 HydrophobicContact CD1-CG 3.8Å; I33-P72 HydrophobicContact CG1-CG 4.46Å; R35-P72 WeakPolarHBondContact O-CD 3.48Å; T37-P72 WeakPolarHBondContact O-CD 3.35Å; L39-P72 HydrophobicContact CD2-CG 4.18Å; P72-Q74 VanDerWaalsContact C-N 3.32Å; P72-Q74 PolarHBondContact O-N 3.36Å; P72-L75 CarbonylContact O-C 3.59Å; P72-L75 PolarHBondContact O-N 3.1Å; P72-E76 PolarHBondContact O-N 3.39Å; P72-M77 HydrophobicContact CB-CB 4.06Å; P72-M77 HydrophobicContact CB-CG 4.33Å; P72-M77 HydrophobicContact CB-SD 4.22Å; P72-M77 PolarHBondContact O-N 2.86Å
73A86.3Confident87.6Confident48 Ų4867.8 Ų67.840%0.39737%0.368SS..THydrogen-bonded Turntrans-62.2-34.1176.700000113.7R35 T71R35-A73 PolarHBondContact O-N 2.83Å; R35-A73 VanDerWaalsContact O-N 3.15Å; T71-A73 PolarHBondContact O-N 3.03Å
74Q87.8Confident87.9Confident130 Ų13068.9 Ų68.961%0.60736%0.362SS*.THydrogen-bonded Turntrans-75.7-32.6176.4-87173.1-89.300113.1T71 P72T71-Q74 PolarHBondContact O-N 2.76Å; T71-Q74 PolarHBondContact OG1-N 3.05Å; T71-Q74 PolarHBondContact OG1-OE1 3.44Å; P72-Q74 VanDerWaalsContact C-N 3.32Å; P72-Q74 PolarHBondContact O-N 3.36Å
75L86.2Confident87.9Confident23 Ų2363.5 Ų63.512%0.1234%0.337CS..THydrogen-bonded Turntrans-88.17.1177.9-69.6168.2000111.9L39 F61 I66 D70 T71 P72 M77L39-L75 HydrophobicContact CD1-CD1 3.73Å; F61-L75 HydrophobicContact CD1-CB 4.32Å; F61-L75 WeakPolarHBondContact CE1-O 3.32Å; I66-L75 HydrophobicContact CB-CD1 4.4Å; I66-L75 HydrophobicContact CD1-CD1 4.43Å; I66-L75 HydrophobicContact CG1-CD1 3.99Å; I66-L75 HydrophobicContact CG2-CD1 3.86Å; D70-L75 HydrophobicContact CB-CD1 3.85Å; D70-L75 HydrophobicContact CB-CG 4.33Å; T71-L75 PolarHBondContact O-N 2.97Å; P72-L75 CarbonylContact O-C 3.59Å; P72-L75 PolarHBondContact O-N 3.1Å; L75-M77 HydrophobicContact CB-CG 3.59Å; L75-M77 HydrophobicContact CB-SD 4.15Å; L75-M77 HydrophobicContact CD1-SD 4.18Å; L75-M77 PolarHBondContact O-N 2.8Å; L75-M77 VanDerWaalsContact O-N 3.13Å
76E86.9Confident87.8Confident172 Ų17263.3 Ų63.380%0.80433%0.328SS*.THydrogen-bonded Turntrans51.234.9-177.7-58.6-173.993.600112.8P72P72-E76 PolarHBondContact O-N 3.39Å
77M86.4Confident87.5Confident10 Ų1066.7 Ų66.75%0.04934%0.343CS..  trans-77135.3-178.2-46.3-17887.700111L19 L39 F61 P72 L75 D81 I83L19-M77 HydrophobicContact CD1-CE 4.34Å; L19-M77 HydrophobicContact CD1-SD 4.11Å; L19-M77 HydrophobicContact CD2-CB 4.09Å; L19-M77 HydrophobicContact CD2-CE 3.75Å; L19-M77 HydrophobicContact CD2-SD 4.12Å; L39-M77 HydrophobicContact CD1-SD 4.09Å; F61-M77 HydrophobicContact CB-CE 4.2Å; F61-M77 HydrophobicContact CD1-CE 4.13Å; F61-M77 HydrophobicContact CD1-CG 4.13Å; F61-M77 HydrophobicContact CD2-CE 3.25Å; F61-M77 HydrophobicContact CE1-CE 4.32Å; F61-M77 HydrophobicContact CE1-CG 3.82Å; F61-M77 HydrophobicContact CE2-CE 3.49Å; F61-M77 VanDerWaalsContact CE2-CE 3.49Å; F61-M77 HydrophobicContact CE2-CG 4.37Å; F61-M77 HydrophobicContact CG-CE 3.59Å; F61-M77 HydrophobicContact CZ-CB 4.3Å; F61-M77 HydrophobicContact CZ-CE 4.02Å; F61-M77 HydrophobicContact CZ-CG 3.95Å; P72-M77 HydrophobicContact CB-CB 4.06Å; P72-M77 HydrophobicContact CB-CG 4.33Å; P72-M77 HydrophobicContact CB-SD 4.22Å; P72-M77 PolarHBondContact O-N 2.86Å; L75-M77 HydrophobicContact CB-CG 3.59Å; L75-M77 HydrophobicContact CB-SD 4.15Å; L75-M77 HydrophobicContact CD1-SD 4.18Å; L75-M77 PolarHBondContact O-N 2.8Å; L75-M77 VanDerWaalsContact O-N 3.13Å; M77-D81 HydrophobicContact CB-CB 4.48Å; M77-I83 HydrophobicContact CE-CD1 3.73Å; M77-I83 HydrophobicContact CE-CG1 3.45Å; M77-I83 VanDerWaalsContact CE-CG1 3.45Å
78E87.6Confident86.8Confident146 Ų14666.6 Ų66.668%0.68234%0.34SS*.  trans-101.5-177.3178.9-68-165.379.400112.5D81E78-D81 PolarHBondContact N-OD2 2.79Å
79D86.6Confident85.8Confident81 Ų8171.3 Ų71.343%0.43336%0.362SS..THydrogen-bonded Turntrans-69.7138.7170.3-166.9-122.6000109.8N18 D81N18-D79 WeakPolarHBondContact CB-OD2 3.5Å; N18-D79 PolarHBondContact N-OD2 2.96Å; N18-D79 PolarHBondContact ND2-OD2 2.86Å; D79-D81 VanDerWaalsContact C-N 3.28Å; D79-D81 PolarHBondContact O-N 2.91Å
80E87.9Confident84.3Confident116 Ų11671 Ų7154%0.54236%0.36SS..THydrogen-bonded Turntrans74.57.9-178.4-50.1-156.569.300116.6N18 K20N18-E80 WeakPolarHBondContact O-CA 3.48Å; N18-E80 PolarHBondContact O-N 2.92Å; K20-E80 IonicContact NZ-OE1 2.77Å; K20-E80 PolarHBondContact NZ-OE1 2.84Å
81D91Very high82.6Confident43 Ų4372.7 Ų72.723%0.2338%0.383CS..EExtended strand (participates in β ladder)trans-62.2151.2178.9-109.7-50.1000113.5L19 K20 F61 M77 E78 D79L19-D81 HydrophobicContact CD2-CB 3.72Å; K20-D81 PolarHBondContact N-O 3.09Å; F61-D81 HydrophobicContact CE2-CB 3.81Å; F61-D81 VanDerWaalsContact CE2-CG 3.4Å; F61-D81 WeakPolarHBondContact CE2-OD1 3.21Å; F61-D81 HydrophobicContact CZ-CB 4.23Å; F61-D81 VanDerWaalsContact CZ-CG 3.43Å; F61-D81 VanDerWaalsContact CZ-OD1 3.29Å; F61-D81 WeakPolarHBondContact CZ-OD1 3.16Å; M77-D81 HydrophobicContact CB-CB 4.48Å; E78-D81 PolarHBondContact N-OD2 2.79Å; D79-D81 VanDerWaalsContact C-N 3.28Å; D79-D81 PolarHBondContact O-N 2.91Å
82T90.6Very high80.8Confident59 Ų5974.7 Ų74.736%0.36241%0.409SS..EExtended strand (participates in β ladder)trans-115.4123.8-176.2-55.10000111.9K20 A22 F61K20-T82 HydrophobicContact CB-CG2 4.43Å; K20-T82 CarbonylContact O-C 3.49Å; K20-T82 VanDerWaalsContact O-CA 3.29Å; K20-T82 WeakPolarHBondContact O-CA 3.4Å; A22-T82 HydrophobicContact CB-CG2 3.87Å; F61-T82 WeakPolarHBondContact CD2-O 3.49Å
83I91.1Very high79Confident1 Ų181.1 Ų81.11%0.00545%0.452CS..EExtended strand (participates in β ladder)trans-97.8123172.5-61.5172.8000108.4L19 K20 V21 A22 L42 F59 F61 I66 M77L19-I83 HydrophobicContact CD1-CD1 4.3Å; K20-I83 PolarHBondContact O-N 2.82Å; V21-I83 CarbonylContact C-O 3.52Å; V21-I83 WeakPolarHBondContact CA-O 3.3Å; A22-I83 PolarHBondContact N-O 2.95Å; L42-I83 HydrophobicContact CD1-CD1 4.37Å; L42-I83 HydrophobicContact CD2-CD1 4.48Å; F59-I83 HydrophobicContact CB-CG2 4.07Å; F59-I83 HydrophobicContact CD1-CG2 3.91Å; F61-I83 HydrophobicContact CD2-CG1 4.41Å; I66-I83 HydrophobicContact CD1-CB 4.36Å; I66-I83 HydrophobicContact CD1-CD1 3.99Å; I66-I83 HydrophobicContact CD1-CG1 3.89Å; I66-I83 HydrophobicContact CD1-CG2 3.65Å; M77-I83 HydrophobicContact CE-CD1 3.73Å; M77-I83 HydrophobicContact CE-CG1 3.45Å; M77-I83 VanDerWaalsContact CE-CG1 3.45Å
84D90.8Very high76.8Confident73 Ų7388 Ų8839%0.3950%0.495SS..EExtended strand (participates in β ladder)trans-84.2133172.8-68.8-73.2000111F59 R60 F86F59-D84 CarbonylContact C-O 3.52Å; F59-D84 WeakPolarHBondContact CA-O 3.47Å; R60-D84 PolarHBondContact N-O 3Å; R60-D84 PolarHBondContact O-N 2.79Å; D84-F86 HydrophobicContact CB-CD2 4.33Å; D84-F86 HydrophobicContact CB-CE2 3.6Å; D84-F86 HydrophobicContact CB-CZ 4.28Å
85V88.4Confident76.3Confident5 Ų585.9 Ų85.93%0.0349%0.489CS..EExtended strand (participates in β ladder)trans-113.9116.9175.3-169.30000111.1V21 A22 Q24 Y46 I57 R58 F59V21-V85 HydrophobicContact CG1-CG2 3.32Å; A22-V85 PolarHBondContact O-N 3.18Å; Q24-V85 PolarHBondContact N-O 3.18Å; Y46-V85 HydrophobicContact CD1-CG2 4.45Å; Y46-V85 HydrophobicContact CE1-CB 3.93Å; Y46-V85 HydrophobicContact CE1-CG1 3.68Å; Y46-V85 HydrophobicContact CE1-CG2 3.72Å; I57-V85 HydrophobicContact CB-CG1 3.84Å; I57-V85 HydrophobicContact CD1-CG1 4.39Å; I57-V85 HydrophobicContact CG2-CG1 4.18Å; R58-V85 WeakPolarHBondContact O-CA 3.45Å; F59-V85 HydrophobicContact CD1-CG1 4.42Å; F59-V85 HydrophobicContact CD1-CG2 3.46Å; F59-V85 VanDerWaalsContact CD1-CG2 3.46Å; F59-V85 HydrophobicContact CE1-CG1 4.3Å; F59-V85 HydrophobicContact CE1-CG2 3.55Å; F59-V85 HydrophobicContact CG-CG2 4.36Å
86F86.2Confident75.8Confident80 Ų8089.2 Ų89.235%0.35151%0.509SS..EExtended strand (participates in β ladder)trans-98.5119.9175.9-65.7-93.1000109.1Q24 I57 R58 R60 D84 Q88Q24-F86 HydrophobicContact CG-CD1 4.39Å; Q24-F86 VanDerWaalsContact NE2-CD1 3.35Å; I57-F86 CarbonylContact C-O 3.56Å; I57-F86 VanDerWaalsContact CA-O 3.32Å; I57-F86 WeakPolarHBondContact CA-O 3.45Å; R58-F86 PolarHBondContact N-O 3.26Å; R58-F86 PolarHBondContact O-N 3.22Å; R60-F86 HydrophobicContact CB-CD2 4.31Å; R60-F86 HydrophobicContact CB-CE2 4.08Å; R60-F86 HydrophobicContact CG-CD2 4.36Å; R60-F86 HydrophobicContact CG-CE2 4.4Å; D84-F86 HydrophobicContact CB-CD2 4.33Å; D84-F86 HydrophobicContact CB-CE2 3.6Å; D84-F86 HydrophobicContact CB-CZ 4.28Å; F86-Q88 PolarHBondContact O-N 2.7Å
87Q83.8Confident75.1Confident82 Ų8284.6 Ų84.638%0.38349%0.492SS..EExtended strand (participates in β ladder)trans-73125165.5-83.2178.161.200108L52 Q56 I57 Q89L52-Q87 VanDerWaalsContact CD1-CD 3.42Å; L52-Q87 HydrophobicContact CD1-CG 3.83Å; L52-Q87 VanDerWaalsContact CD1-NE2 3.34Å; Q56-Q87 CarbonylContact O-C 3.54Å; Q56-Q87 WeakPolarHBondContact O-CA 3.43Å; I57-Q87 HydrophobicContact CG2-CG 3.6Å; Q87-Q89 PolarHBondContact O-N 2.71Å
88Q73.1Confident74.5Confident92 Ų9288.9 Ų88.943%0.4352%0.518SS..  trans-62.397.1158.1-67.7-161.3-122.900105.9R55 Q56 R58 F86 T90R55-Q88 PolarHBondContact O-OE1 2.86Å; Q56-Q88 WeakPolarHBondContact O-CB 3.49Å; Q56-Q88 PolarHBondContact O-N 3.29Å; R58-Q88 HydrophobicContact CG-CG 4.28Å; F86-Q88 PolarHBondContact O-N 2.7Å; Q88-T90 PolarHBondContact O-N 3.41Å; Q88-T90 PolarHBondContact O-OG1 3.3Å
89Q62.5Low73.7Confident182 Ų18285.4 Ų85.485%0.8551%0.508SS*.  trans-56.993.6174.1-169.7178.517.400107.4Q87 G91Q87-Q89 PolarHBondContact O-N 2.71Å; Q89-G91 VanDerWaalsContact C-N 3.33Å; Q89-G91 PolarHBondContact O-N 3.16Å
90T55.9Low72.8Confident99 Ų9985.7 Ų85.761%0.60751%0.513SS*.  trans-80.698.7166.6-41.80000101.9Q88 G92Q88-T90 PolarHBondContact O-N 3.41Å; Q88-T90 PolarHBondContact O-OG1 3.3Å; T90-G92 PolarHBondContact O-N 3.41Å
91G51.8Low71.7Confident60 Ų6083.5 Ų83.562%0.61951%0.511SS*.  trans-38.1122.6-170.100000111.6Q89 C93Q89-G91 VanDerWaalsContact C-N 3.33Å; Q89-G91 PolarHBondContact O-N 3.16Å; G91-C93 PolarHBondContact O-N 3.1Å; G91-C93 VanDerWaalsContact O-N 3.1Å
92G49.8Very low70.2Confident67 Ų6786.6 Ų86.669%0.69153%0.532SS*.  trans-54.2119.1165.100000107.2T90 C94T90-G92 PolarHBondContact O-N 3.41Å; G92-C94 PolarHBondContact O-N 3.19Å; G92-C94 VanDerWaalsContact O-N 3.16Å
93C47.6Very low68.5Low135 Ų13588.9 Ų88.991%0.91255%0.547SS*.  trans-56.8114.4169.2-1760000108.4G91G91-C93 PolarHBondContact O-N 3.1Å; G91-C93 VanDerWaalsContact O-N 3.1Å
94C41.6Very low66.5Low191 Ų19196.9 Ų96.9100%1.29160%0.596SS**  trans-155015249.70000108.4G92G92-C94 PolarHBondContact O-N 3.19Å; G92-C94 VanDerWaalsContact O-N 3.16Å

Retrieved 94 of 94 residues in 64.8 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).