A0A060XWR9_ONCMY Loading...

Rhodanese domain-containing protein

AlphaFold DB , UniProt , Accession A0A060XWR9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 118 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
1M36.5Very low70.6Confident237 Ų23782.7 Ų82.7100%1.16748%0.477SS*.  0120.20-76.9162167.400106.6I3M1-I3 PolarHBondContact O-N 2.68Å
2A39.9Very low72Confident101 Ų10182.6 Ų82.684%0.83547%0.473SS*.  trans-70.2114.4-176.200000108.7S4A2-S4 PolarHBondContact O-N 2.61Å
3I51Low73.2Confident125 Ų12576.2 Ų76.264%0.64144%0.437SS*.  trans-68.7117.9164.2-54.1-166.7000104.3M1 D7M1-I3 PolarHBondContact O-N 2.68Å; I3-D7 HydrophobicContact CG2-CB 3.62Å; I3-D7 VanDerWaalsContact CG2-O 3.31Å; I3-D7 WeakPolarHBondContact CG2-O 3.3Å
4S60.7Low74.2Confident54 Ų5476.4 Ų76.438%0.37843%0.43SS..  trans-61.5152.6178.4-360000108.3A2 K6 D7A2-S4 PolarHBondContact O-N 2.61Å; S4-K6 PolarHBondContact O-N 2.99Å; S4-D7 WeakPolarHBondContact CB-OD2 3.37Å; S4-D7 PolarHBondContact N-OD2 3.08Å; S4-D7 PolarHBondContact O-N 3.27Å; S4-D7 PolarHBondContact OG-OD2 3.05Å
5D69.9Low75.1Confident135 Ų13574.6 Ų74.672%0.72243%0.429SS*.THydrogen-bonded Turntrans-48.8-26.6171.3157.1-90.9000113.4R96D5-R96 IonicContact OD1-CZ 3.03Å; D5-R96 IonicContact OD1-NH1 3.26Å; D5-R96 PolarHBondContact OD1-NH1 3.03Å; D5-R96 IonicContact OD1-NH2 3.9Å; D5-R96 PolarHBondContact OD1-NH2 2.88Å
6K78.8Confident75.6Confident45 Ų4572.3 Ų72.320%0.19641%0.414CS..THydrogen-bonded Turntrans-87.5-2.1177.660.6176.3172.6168.10114.8S4 T92 D93 V104 N105S4-K6 PolarHBondContact O-N 2.99Å; K6-T92 HydrophobicContact CB-CG2 4.16Å; K6-T92 HydrophobicContact CD-CG2 4.27Å; K6-D93 IonicContact NZ-OD2 2.72Å; K6-D93 PolarHBondContact NZ-OD2 3.26Å; K6-V104 CarbonylContact O-C 3.5Å; K6-V104 WeakPolarHBondContact O-CA 3.49Å; K6-V104 WeakPolarHBondContact O-CB 3.41Å; K6-N105 PolarHBondContact O-N 2.84Å
7D87Confident76.1Confident31 Ų3170.5 Ų70.517%0.16640%0.403CS..EExtended strand (participates in β ladder)trans-106.3128.6-175.7-66-67.1000110.9I3 S4 N105 A107I3-D7 HydrophobicContact CG2-CB 3.62Å; I3-D7 VanDerWaalsContact CG2-O 3.31Å; I3-D7 WeakPolarHBondContact CG2-O 3.3Å; S4-D7 WeakPolarHBondContact CB-OD2 3.37Å; S4-D7 PolarHBondContact N-OD2 3.08Å; S4-D7 PolarHBondContact O-N 3.27Å; S4-D7 PolarHBondContact OG-OD2 3.05Å; D7-N105 CarbonylContact C-O 3.58Å; D7-N105 VanDerWaalsContact CA-O 3.24Å; D7-N105 WeakPolarHBondContact CA-O 3.5Å; D7-N105 WeakPolarHBondContact OD1-CB 3.33Å; D7-N105 PolarHBondContact OD1-ND2 2.93Å; D7-A107 HydrophobicContact CB-CB 4.34Å
8I87.8Confident76.5Confident25 Ų2572.4 Ų72.413%0.12842%0.416CS..EExtended strand (participates in β ladder)trans-109.6154.6174.164.1164000111.3D12 L13 L16 V79 V104 N105I8-D12 HydrophobicContact CB-CB 3.93Å; I8-D12 HydrophobicContact CD1-CB 4.49Å; I8-D12 HydrophobicContact CG2-CB 4.46Å; I8-L13 HydrophobicContact CD1-CB 4.01Å; I8-L16 HydrophobicContact CD1-CD1 4.1Å; I8-V79 HydrophobicContact CD1-CB 4.43Å; I8-V79 HydrophobicContact CD1-CG1 3.68Å; I8-V79 HydrophobicContact CD1-CG2 3.83Å; I8-V79 HydrophobicContact CG1-CG1 4.31Å; I8-V104 HydrophobicContact CD1-CG2 3.99Å; I8-V104 HydrophobicContact CG1-CG2 4.13Å; I8-V104 HydrophobicContact CG2-CB 3.87Å; I8-V104 HydrophobicContact CG2-CG1 4.09Å; I8-V104 HydrophobicContact CG2-CG2 3.82Å; I8-N105 PolarHBondContact N-O 3Å
9S88.9Confident76.4Confident47 Ų4776.9 Ų76.933%0.32943%0.431SS..  trans-90.9168.917775.20000112.3S11 D12 L13S9-S11 PolarHBondContact O-N 2.95Å; S9-D12 WeakPolarHBondContact CB-OD2 3.43Å; S9-D12 PolarHBondContact N-OD2 3.24Å; S9-D12 VanDerWaalsContact N-OD2 3.15Å; S9-D12 WeakPolarHBondContact O-CB 3.37Å; S9-D12 PolarHBondContact O-N 3.24Å; S9-D12 VanDerWaalsContact O-N 3.16Å; S9-D12 PolarHBondContact OG-OD2 2.68Å; S9-L13 PolarHBondContact O-N 2.87Å
10Y88.1Confident75.5Confident27 Ų2778.3 Ų78.311%0.10645%0.445CS..Hα-helixtrans-54.3-41.7174.3163.5-95.8000111.9D12 L13 K14 E112 W113 K116 E117Y10-D12 VanDerWaalsContact C-N 3.32Å; Y10-D12 PolarHBondContact O-N 3.46Å; Y10-L13 PolarHBondContact O-N 3.43Å; Y10-K14 HydrophobicContact CE1-CD 3.92Å; Y10-K14 HydrophobicContact CE2-CD 4.37Å; Y10-K14 VanDerWaalsContact O-CB 3.3Å; Y10-K14 WeakPolarHBondContact O-CB 3.35Å; Y10-K14 PolarHBondContact O-N 3.47Å; Y10-K14 WeakPolarHBondContact OH-CD 3.19Å; Y10-K14 PolarHBondContact OH-NZ 3.12Å; Y10-E112 WeakPolarHBondContact CB-OE1 3.29Å; Y10-W113 AromaticContact CD2-CE3 3.8Å; Y10-W113 HydrophobicContact CD2-CE3 3.8Å; Y10-W113 HydrophobicContact CD2-CZ3 4.15Å; Y10-W113 HydrophobicContact CE2-CD2 4.48Å; Y10-W113 AromaticContact CE2-CE3 3.73Å; Y10-W113 HydrophobicContact CE2-CE3 3.73Å; Y10-W113 AromaticContact CE2-CZ3 3.86Å; Y10-W113 HydrophobicContact CE2-CZ3 3.86Å; Y10-K116 HydrophobicContact CD1-CG 4.44Å; Y10-K116 HydrophobicContact CD2-CB 4.28Å; Y10-K116 HydrophobicContact CD2-CG 4.22Å; Y10-K116 HydrophobicContact CE1-CB 4.31Å; Y10-K116 HydrophobicContact CE1-CD 4.33Å; Y10-K116 HydrophobicContact CE1-CG 4.22Å; Y10-K116 HydrophobicContact CE2-CB 3.6Å; Y10-K116 HydrophobicContact CE2-CG 4Å; Y10-K116 HydrophobicContact CG-CG 4.43Å; Y10-E117 HydrophobicContact CE2-CG 4.04Å; Y10-E117 PolarHBondContact OH-OE1 3.3Å
11S87.6Confident74.8Confident83 Ų8378.2 Ų78.258%0.5844%0.444SS*.Hα-helixtrans-63.2-39.2-179.5-580000111.9S9 A15S9-S11 PolarHBondContact O-N 2.95Å; S11-A15 WeakPolarHBondContact O-CB 3.2Å; S11-A15 PolarHBondContact O-N 3.13Å
12D87.9Confident75.9Confident81 Ų8177.4 Ų77.443%0.43343%0.434SS..Hα-helixtrans-65.8-49.6175.5-64.1-71.6000110.8I8 S9 Y10 K14 A15 L16I8-D12 HydrophobicContact CB-CB 3.93Å; I8-D12 HydrophobicContact CD1-CB 4.49Å; I8-D12 HydrophobicContact CG2-CB 4.46Å; S9-D12 WeakPolarHBondContact CB-OD2 3.43Å; S9-D12 PolarHBondContact N-OD2 3.24Å; S9-D12 VanDerWaalsContact N-OD2 3.15Å; S9-D12 WeakPolarHBondContact O-CB 3.37Å; S9-D12 PolarHBondContact O-N 3.24Å; S9-D12 VanDerWaalsContact O-N 3.16Å; S9-D12 PolarHBondContact OG-OD2 2.68Å; Y10-D12 VanDerWaalsContact C-N 3.32Å; Y10-D12 PolarHBondContact O-N 3.46Å; D12-K14 VanDerWaalsContact C-N 3.31Å; D12-K14 PolarHBondContact O-N 3.28Å; D12-A15 PolarHBondContact O-N 3.4Å; D12-A15 VanDerWaalsContact O-N 3.16Å; D12-L16 VanDerWaalsContact O-CG 3.28Å; D12-L16 WeakPolarHBondContact O-CG 3.35Å; D12-L16 PolarHBondContact O-N 2.97Å
13L87.4Confident77.2Confident0 Ų074.1 Ų74.10%041%0.41CS..Hα-helixtrans-58-44.8177.3177.359000111.3I8 S9 Y10 A15 L16 L17 V26 I40 V79 Y106 W113I8-L13 HydrophobicContact CD1-CB 4.01Å; S9-L13 PolarHBondContact O-N 2.87Å; Y10-L13 PolarHBondContact O-N 3.43Å; L13-A15 PolarHBondContact O-N 3.41Å; L13-L16 WeakPolarHBondContact O-CB 3.43Å; L13-L16 PolarHBondContact O-N 2.86Å; L13-L17 HydrophobicContact CD1-CD1 4.13Å; L13-L17 HydrophobicContact CD1-CG 4.23Å; L13-L17 HydrophobicContact CG-CD1 3.97Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 2.9Å; L13-V26 HydrophobicContact CD1-CG2 4.01Å; L13-I40 HydrophobicContact CD2-CD1 3.88Å; L13-V79 HydrophobicContact CD1-CB 4.49Å; L13-V79 HydrophobicContact CD1-CG1 4.16Å; L13-V79 HydrophobicContact CD1-CG2 4.35Å; L13-Y106 HydrophobicContact CD2-CD1 3.59Å; L13-Y106 HydrophobicContact CD2-CD2 4.45Å; L13-Y106 HydrophobicContact CD2-CE1 3.88Å; L13-Y106 HydrophobicContact CD2-CG 3.91Å; L13-W113 HydrophobicContact CD2-CE3 3.99Å; L13-W113 HydrophobicContact CD2-CZ3 4.13Å; L13-W113 HydrophobicContact CG-CZ3 4.24Å
14K87.1Confident78.7Confident78 Ų7869.7 Ų69.734%0.33939%0.387SS..Hα-helixtrans-63.6-41.1177.2-175.9158.8-178.9164.60112Y10 D12 L16 L17 T18 E117Y10-K14 HydrophobicContact CE1-CD 3.92Å; Y10-K14 HydrophobicContact CE2-CD 4.37Å; Y10-K14 VanDerWaalsContact O-CB 3.3Å; Y10-K14 WeakPolarHBondContact O-CB 3.35Å; Y10-K14 PolarHBondContact O-N 3.47Å; Y10-K14 WeakPolarHBondContact OH-CD 3.19Å; Y10-K14 PolarHBondContact OH-NZ 3.12Å; D12-K14 VanDerWaalsContact C-N 3.31Å; D12-K14 PolarHBondContact O-N 3.28Å; K14-L16 VanDerWaalsContact C-N 3.31Å; K14-L16 PolarHBondContact O-N 3Å; K14-L17 PolarHBondContact O-N 2.82Å; K14-T18 VanDerWaalsContact O-CB 3.3Å; K14-T18 WeakPolarHBondContact O-CB 3.3Å; K14-T18 PolarHBondContact O-N 3.25Å; K14-T18 PolarHBondContact O-OG1 3.49Å; K14-E117 IonicContact NZ-OE1 2.98Å; K14-E117 PolarHBondContact NZ-OE1 2.86Å
15A87.3Confident79.9Confident50 Ų5068 Ų6841%0.41337%0.373SS..Hα-helixtrans-63-39.4175.500000111.7S11 D12 L13 K19S11-A15 WeakPolarHBondContact O-CB 3.2Å; S11-A15 PolarHBondContact O-N 3.13Å; D12-A15 PolarHBondContact O-N 3.4Å; D12-A15 VanDerWaalsContact O-N 3.16Å; L13-A15 PolarHBondContact O-N 3.41Å; A15-K19 WeakPolarHBondContact O-CB 3.22Å; A15-K19 WeakPolarHBondContact O-CG 3.48Å; A15-K19 PolarHBondContact O-N 2.93Å
16L84.4Confident80.8Confident37 Ų3761.6 Ų61.619%0.19434%0.34CS..Hα-helixtrans-64-49.3175.4-68.6170.7000111.4I8 D12 L13 K14 T18 K19 L24 E77 V79I8-L16 HydrophobicContact CD1-CD1 4.1Å; D12-L16 VanDerWaalsContact O-CG 3.28Å; D12-L16 WeakPolarHBondContact O-CG 3.35Å; D12-L16 PolarHBondContact O-N 2.97Å; L13-L16 WeakPolarHBondContact O-CB 3.43Å; L13-L16 PolarHBondContact O-N 2.86Å; K14-L16 VanDerWaalsContact C-N 3.31Å; K14-L16 PolarHBondContact O-N 3Å; L16-T18 VanDerWaalsContact C-N 3.32Å; L16-T18 PolarHBondContact O-N 2.91Å; L16-K19 PolarHBondContact O-N 3.16Å; L16-L24 HydrophobicContact CB-CD1 3.87Å; L16-L24 HydrophobicContact CB-CD2 3.84Å; L16-L24 HydrophobicContact CB-CG 4.48Å; L16-L24 HydrophobicContact CD1-CD1 4.11Å; L16-L24 HydrophobicContact CG-CD1 4.46Å; L16-E77 HydrophobicContact CD2-CG 4Å; L16-E77 WeakPolarHBondContact CD2-OE1 3.24Å; L16-V79 HydrophobicContact CD1-CG2 4.04Å
17L83.1Confident81.3Confident43 Ų4359.5 Ų59.523%0.22533%0.33CS..Hα-helixtrans-60.2-42.8177.2-71.6167.2000111.4L13 K14 K19 S20 L24 V26 I40 W113L13-L17 HydrophobicContact CD1-CD1 4.13Å; L13-L17 HydrophobicContact CD1-CG 4.23Å; L13-L17 HydrophobicContact CG-CD1 3.97Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 2.9Å; K14-L17 PolarHBondContact O-N 2.82Å; L17-K19 VanDerWaalsContact C-N 3.34Å; L17-K19 PolarHBondContact O-N 2.83Å; L17-S20 PolarHBondContact O-N 3.37Å; L17-L24 HydrophobicContact CD2-CD2 3.77Å; L17-L24 HydrophobicContact CG-CD2 4.07Å; L17-V26 HydrophobicContact CD2-CG2 4.15Å; L17-I40 HydrophobicContact CD1-CG2 3.89Å; L17-W113 HydrophobicContact CD1-CH2 3.26Å; L17-W113 HydrophobicContact CD1-CZ2 4.1Å; L17-W113 HydrophobicContact CD1-CZ3 3.64Å
18T82.8Confident81.5Confident105 Ų10558 Ų5864%0.64432%0.322SS*.Hα-helixtrans-66.6-35.6178.9-53.60000111.9K14 L16 S20K14-T18 VanDerWaalsContact O-CB 3.3Å; K14-T18 WeakPolarHBondContact O-CB 3.3Å; K14-T18 PolarHBondContact O-N 3.25Å; K14-T18 PolarHBondContact O-OG1 3.49Å; L16-T18 VanDerWaalsContact C-N 3.32Å; L16-T18 PolarHBondContact O-N 2.91Å; T18-S20 PolarHBondContact O-N 3.32Å
19K75.3Confident81.7Confident158 Ų15856.9 Ų56.969%0.68732%0.317SS*.THydrogen-bonded Turntrans-64.8-7.7177.9-87.3-179.2173.6179.40113.6A15 L16 L17 N21A15-K19 WeakPolarHBondContact O-CB 3.22Å; A15-K19 WeakPolarHBondContact O-CG 3.48Å; A15-K19 PolarHBondContact O-N 2.93Å; L16-K19 PolarHBondContact O-N 3.16Å; L17-K19 VanDerWaalsContact C-N 3.34Å; L17-K19 PolarHBondContact O-N 2.83Å; K19-N21 PolarHBondContact O-N 3.03Å; K19-N21 VanDerWaalsContact O-N 3.08Å
20S58Low81.7Confident103 Ų10354.8 Ų54.872%0.7230%0.302SS*.THydrogen-bonded Turntrans45.442.9179.7-660000111.5L17 T18 K22L17-S20 PolarHBondContact O-N 3.37Å; T18-S20 PolarHBondContact O-N 3.32Å; S20-K22 PolarHBondContact O-N 3.43Å
21N62.1Low81.7Confident78 Ų7856.2 Ų56.242%0.41731%0.313SS..  trans-75.1121-174.8-141.2-8.4000107.7K19 G23 L24 E77K19-N21 PolarHBondContact O-N 3.03Å; K19-N21 VanDerWaalsContact O-N 3.08Å; N21-G23 PolarHBondContact O-N 3.29Å; N21-L24 HydrophobicContact CB-CB 4.48Å; N21-L24 PolarHBondContact O-N 2.79Å; N21-E77 WeakPolarHBondContact CB-OE1 3.36Å; N21-E77 WeakPolarHBondContact CB-OE2 3.28Å; N21-E77 PolarHBondContact ND2-OE1 2.81Å; N21-E77 PolarHBondContact ND2-OE2 3.24Å
22K59.6Low81.6Confident220 Ų22059.2 Ų59.296%0.95732%0.316SS*.THydrogen-bonded Turntrans-60.6-3.2-179.1-76.6-177.7175.5179.20113.7S20S20-K22 PolarHBondContact O-N 3.43Å
23G66.8Low81.5Confident32 Ų3262 Ų6233%0.3333%0.326SS..THydrogen-bonded Turntrans-1130.5175.800000115.3N21 L25 T75N21-G23 PolarHBondContact O-N 3.29Å; G23-L25 PolarHBondContact O-N 2.76Å; G23-T75 WeakPolarHBondContact O-CG2 3.37Å
24L81.9Confident81.5Confident32 Ų3263.9 Ų63.917%0.16834%0.335CS..  trans-73.4122.4174.6175.569.7000109.7L16 L17 N21 V26 E77 V79L16-L24 HydrophobicContact CB-CD1 3.87Å; L16-L24 HydrophobicContact CB-CD2 3.84Å; L16-L24 HydrophobicContact CB-CG 4.48Å; L16-L24 HydrophobicContact CD1-CD1 4.11Å; L16-L24 HydrophobicContact CG-CD1 4.46Å; L17-L24 HydrophobicContact CD2-CD2 3.77Å; L17-L24 HydrophobicContact CG-CD2 4.07Å; N21-L24 HydrophobicContact CB-CB 4.48Å; N21-L24 PolarHBondContact O-N 2.79Å; L24-V26 HydrophobicContact CD1-CG2 4.17Å; L24-V26 HydrophobicContact CD2-CG2 4.23Å; L24-V26 HydrophobicContact CG-CG2 4.07Å; L24-E77 WeakPolarHBondContact CA-O 3.33Å; L24-E77 HydrophobicContact CB-CB 4.15Å; L24-E77 HydrophobicContact CD1-CB 3.84Å; L24-E77 WeakPolarHBondContact CD1-O 3.48Å; L24-V79 HydrophobicContact CD1-CG2 3.89Å
25L86.1Confident81.5Confident17 Ų1761.1 Ų61.19%0.08933%0.325CS..EExtended strand (participates in β ladder)trans-121.2116.5171-167.773.1000109.8G23 V27 I44 V68 P71 E77 L78 V79G23-L25 PolarHBondContact O-N 2.76Å; L25-V27 HydrophobicContact CD2-CG2 4.12Å; L25-V27 HydrophobicContact CG-CG2 4.2Å; L25-I44 HydrophobicContact CD1-CD1 4.05Å; L25-I44 HydrophobicContact CD1-CG1 4.33Å; L25-I44 HydrophobicContact CD1-CG2 4.24Å; L25-I44 HydrophobicContact CD2-CD1 3.89Å; L25-I44 HydrophobicContact CG-CD1 4.15Å; L25-I44 HydrophobicContact CG-CG1 4.46Å; L25-V68 HydrophobicContact CD1-CG2 4.37Å; L25-P71 HydrophobicContact CD2-CB 4.32Å; L25-P71 HydrophobicContact CD2-CG 3.58Å; L25-E77 PolarHBondContact N-O 2.64Å; L25-L78 HydrophobicContact CB-CD1 3.9Å; L25-L78 HydrophobicContact CD2-CD1 3.77Å; L25-L78 HydrophobicContact CG-CD1 4.17Å; L25-V79 PolarHBondContact O-N 3.42Å
26V89Confident81.4Confident2 Ų265 Ų651%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-99.8125.4174.1-174.40000108.2L13 L17 L24 S43 I44 V79L13-V26 HydrophobicContact CD1-CG2 4.01Å; L17-V26 HydrophobicContact CD2-CG2 4.15Å; L24-V26 HydrophobicContact CD1-CG2 4.17Å; L24-V26 HydrophobicContact CD2-CG2 4.23Å; L24-V26 HydrophobicContact CG-CG2 4.07Å; V26-S43 CarbonylContact O-C 3.35Å; V26-S43 WeakPolarHBondContact O-CA 3.25Å; V26-S43 WeakPolarHBondContact O-CB 3.38Å; V26-I44 WeakPolarHBondContact O-CG1 3.45Å; V26-I44 PolarHBondContact O-N 3.16Å; V26-V79 CarbonylContact C-O 3.49Å; V26-V79 WeakPolarHBondContact CA-O 3.26Å; V26-V79 HydrophobicContact CG2-CB 4.44Å
27V89.6Confident81.3Confident0 Ų073.2 Ų73.20%037%0.367CS..EExtended strand (participates in β ladder)trans-114.7116.8-177.7-174.50000109.4L25 V29 I44 I46 L78 V79 F80 H81L25-V27 HydrophobicContact CD2-CG2 4.12Å; L25-V27 HydrophobicContact CG-CG2 4.2Å; V27-V29 HydrophobicContact CG1-CG1 4.11Å; V27-I44 CarbonylContact C-O 3.47Å; V27-I44 WeakPolarHBondContact CA-O 2.99Å; V27-I44 HydrophobicContact CB-CG1 4.33Å; V27-I44 HydrophobicContact CG1-CG1 4.33Å; V27-I44 HydrophobicContact CG2-CD1 4.05Å; V27-I44 HydrophobicContact CG2-CG1 3.93Å; V27-I46 HydrophobicContact CG1-CB 3.63Å; V27-I46 HydrophobicContact CG1-CD1 3.95Å; V27-I46 HydrophobicContact CG1-CG1 3.84Å; V27-L78 HydrophobicContact CG2-CD1 3.91Å; V27-V79 PolarHBondContact N-O 2.75Å; V27-F80 HydrophobicContact CB-CD1 3.57Å; V27-F80 HydrophobicContact CB-CE1 3.69Å; V27-F80 HydrophobicContact CB-CG 4.41Å; V27-F80 HydrophobicContact CG1-CD1 3.81Å; V27-F80 HydrophobicContact CG1-CE1 3.78Å; V27-F80 HydrophobicContact CG2-CD1 4.18Å; V27-F80 HydrophobicContact CG2-CE1 3.83Å; V27-F80 HydrophobicContact CG2-CZ 4.36Å; V27-F80 WeakPolarHBondContact O-CA 3.42Å; V27-H81 PolarHBondContact O-CD2 3.1Å; V27-H81 PolarHBondContact O-N 2.82Å
28D91.3Very high81.4Confident0 Ų071.9 Ų71.90%036%0.364CS..EExtended strand (participates in β ladder)trans-88113.6175.3-164.4-36.7000109.8R30 V35 I44 H45 I46 H81D28-R30 WeakPolarHBondContact OD1-CB 3.42Å; D28-R30 WeakPolarHBondContact OD1-CG 3.43Å; D28-R30 IonicContact OD1-CZ 2.84Å; D28-R30 PolarHBondContact OD1-N 3.41Å; D28-R30 IonicContact OD1-NE 3Å; D28-R30 PolarHBondContact OD1-NE 3.49Å; D28-R30 IonicContact OD2-CZ 3Å; D28-R30 VanDerWaalsContact OD2-CZ 3.26Å; D28-R30 IonicContact OD2-NE 3.41Å; D28-R30 PolarHBondContact OD2-NE 3.38Å; D28-R30 IonicContact OD2-NH2 3.49Å; D28-R30 PolarHBondContact OD2-NH2 3.21Å; D28-V35 HydrophobicContact CB-CG2 4.35Å; D28-I44 PolarHBondContact N-O 2.66Å; D28-H45 PolarHBondContact O-CD2 3.48Å; D28-I46 CarbonylContact O-C 3.51Å; D28-I46 PolarHBondContact O-N 3.22Å; D28-H81 WeakPolarHBondContact CB-NE2 3.48Å; D28-H81 IonicContact OD1-CE1 3.47Å; D28-H81 IonicContact OD2-CE1 3.41Å; D28-H81 PolarHBondContact OD2-CE1 3.01Å; D28-H81 IonicContact OD2-NE2 2.78Å; D28-H81 PolarHBondContact OD2-NE2 3.48Å
29V91.1Very high81.6Confident1 Ų171.5 Ų71.51%0.00636%0.355CS..  trans-98.314.6-177.8-48.20000114.4V27 I46 V48 V51 F80 H81 C82 R87 A91V27-V29 HydrophobicContact CG1-CG1 4.11Å; V29-I46 VanDerWaalsContact CA-O 3.22Å; V29-I46 WeakPolarHBondContact CA-O 3Å; V29-I46 WeakPolarHBondContact CG1-O 3.06Å; V29-V48 HydrophobicContact CB-CB 4.06Å; V29-V48 HydrophobicContact CG2-CB 4.23Å; V29-V48 PolarHBondContact O-N 3.44Å; V29-V51 HydrophobicContact CG1-CG2 4.45Å; V29-F80 HydrophobicContact CG1-CD1 3.96Å; V29-H81 WeakPolarHBondContact CG2-O 3.31Å; V29-H81 PolarHBondContact N-O 3.12Å; V29-C82 HydrophobicContact CG2-CB 3.64Å; V29-R87 HydrophobicContact CG2-CB 3.9Å; V29-A91 HydrophobicContact CB-CB 4.39Å; V29-A91 HydrophobicContact CG1-CB 3.65Å; V29-A91 HydrophobicContact CG2-CB 4.34Å
30R89.9Confident82.1Confident3 Ų364 Ų641%0.01132%0.322CS..SBendtrans-76.1177.2176.1-62.5-176.7-68.2156.51.5112.3D28 E34 V35 G38 H45 C82 Q83D28-R30 WeakPolarHBondContact OD1-CB 3.42Å; D28-R30 WeakPolarHBondContact OD1-CG 3.43Å; D28-R30 IonicContact OD1-CZ 2.84Å; D28-R30 PolarHBondContact OD1-N 3.41Å; D28-R30 IonicContact OD1-NE 3Å; D28-R30 PolarHBondContact OD1-NE 3.49Å; D28-R30 IonicContact OD2-CZ 3Å; D28-R30 VanDerWaalsContact OD2-CZ 3.26Å; D28-R30 IonicContact OD2-NE 3.41Å; D28-R30 PolarHBondContact OD2-NE 3.38Å; D28-R30 IonicContact OD2-NH2 3.49Å; D28-R30 PolarHBondContact OD2-NH2 3.21Å; R30-E34 HydrophobicContact CB-CB 3.87Å; R30-E34 HydrophobicContact CB-CG 4.46Å; R30-E34 WeakPolarHBondContact CB-OE2 3.15Å; R30-E34 PolarHBondContact NH1-O 2.8Å; R30-V35 HydrophobicContact CB-CG2 4.29Å; R30-G38 PolarHBondContact NH2-O 3.48Å; R30-H45 PolarHBondContact O-NE2 2.82Å; R30-C82 HydrophobicContact CG-CB 4.3Å; R30-Q83 HydrophobicContact CG-CB 4.4Å
31T88.6Confident83.3Confident58 Ų5863.1 Ų63.136%0.35631%0.314SS..  trans-76159.1171.966.40000111E33 E34 V35T31-E33 PolarHBondContact O-N 3.24Å; T31-E34 PolarHBondContact N-OE2 2.76Å; T31-E34 PolarHBondContact O-N 2.85Å; T31-E34 VanDerWaalsContact O-N 3.1Å; T31-E34 WeakPolarHBondContact OG1-CG 3.15Å; T31-E34 PolarHBondContact OG1-OE2 2.92Å; T31-E34 VanDerWaalsContact OG1-OE2 3.05Å; T31-V35 PolarHBondContact O-N 3.32Å; T31-V35 VanDerWaalsContact O-N 3.17Å
32K85.4Confident84.1Confident146 Ų14662.7 Ų62.764%0.63533%0.327SS*.Hα-helixtrans-57.4-37.3179.2-176.1171.1170.756.20112.2E34 V35 D36 H45K32-E34 VanDerWaalsContact C-N 3.31Å; K32-E34 PolarHBondContact O-N 3.47Å; K32-V35 PolarHBondContact O-N 3.37Å; K32-D36 VanDerWaalsContact O-CB 3.31Å; K32-D36 WeakPolarHBondContact O-CB 3.17Å; K32-D36 PolarHBondContact O-N 2.79Å; K32-H45 VanDerWaalsContact CA-CE1 3.48Å; K32-H45 WeakPolarHBondContact CA-CE1 3.49Å; K32-H45 PolarHBondContact N-CE1 2.88Å
33E85.8Confident85.5Confident139 Ų13953.1 Ų53.165%0.6529%0.288SS*.Hα-helixtrans-63.8-35.7178.4-61.4175.982.900112.6T31 R37T31-E33 PolarHBondContact O-N 3.24Å; E33-R37 WeakPolarHBondContact O-CG 3.35Å; E33-R37 PolarHBondContact O-N 3.37Å
34E86.1Confident86.5Confident40 Ų4052.4 Ų52.419%0.18728%0.277CS..Hα-helixtrans-71.3-41.7176.8-66.7173.296.300110.9R30 T31 K32 R37 G38 Q83 R87R30-E34 HydrophobicContact CB-CB 3.87Å; R30-E34 HydrophobicContact CB-CG 4.46Å; R30-E34 WeakPolarHBondContact CB-OE2 3.15Å; R30-E34 PolarHBondContact NH1-O 2.8Å; T31-E34 PolarHBondContact N-OE2 2.76Å; T31-E34 PolarHBondContact O-N 2.85Å; T31-E34 VanDerWaalsContact O-N 3.1Å; T31-E34 WeakPolarHBondContact OG1-CG 3.15Å; T31-E34 PolarHBondContact OG1-OE2 2.92Å; T31-E34 VanDerWaalsContact OG1-OE2 3.05Å; K32-E34 VanDerWaalsContact C-N 3.31Å; K32-E34 PolarHBondContact O-N 3.47Å; E34-R37 PolarHBondContact O-N 3.21Å; E34-G38 PolarHBondContact O-N 3.44Å; E34-Q83 WeakPolarHBondContact OE1-CB 3.46Å; E34-Q83 PolarHBondContact OE1-OE1 2.97Å; E34-Q83 VanDerWaalsContact OE1-OE1 3.11Å; E34-R87 IonicContact OE2-NH1 2.86Å; E34-R87 PolarHBondContact OE2-NH1 2.96Å
35V86.8Confident86.9Confident19 Ų1953.3 Ų53.312%0.11528%0.28CS..Hα-helixtrans-67.6-36178.5175.20000112D28 R30 T31 K32 R37 G38 H39 H45D28-V35 HydrophobicContact CB-CG2 4.35Å; R30-V35 HydrophobicContact CB-CG2 4.29Å; T31-V35 PolarHBondContact O-N 3.32Å; T31-V35 VanDerWaalsContact O-N 3.17Å; K32-V35 PolarHBondContact O-N 3.37Å; V35-R37 VanDerWaalsContact C-N 3.31Å; V35-R37 PolarHBondContact O-N 3.28Å; V35-G38 CarbonylContact O-C 3.34Å; V35-G38 PolarHBondContact O-N 3.22Å; V35-G38 VanDerWaalsContact O-N 3.12Å; V35-H39 HydrophobicContact CG1-CB 3.84Å; V35-H39 PolarHBondContact O-ND1 2.72Å; V35-H45 HydrophobicContact CG1-CB 4.19Å; V35-H45 HydrophobicContact CG2-CB 4.44Å; V35-H45 VanDerWaalsContact CG2-CD2 3.47Å; V35-H45 WeakPolarHBondContact CG2-CD2 3.35Å
36D85Confident87.1Confident131 Ų13152.5 Ų52.570%0.70128%0.276SS*.Hα-helixtrans-65.6-34.5177.8-163.6-101.4000112.1K32 G38K32-D36 VanDerWaalsContact O-CB 3.31Å; K32-D36 WeakPolarHBondContact O-CB 3.17Å; K32-D36 PolarHBondContact O-N 2.79Å; D36-G38 PolarHBondContact O-N 3.4Å
37R84.2Confident87.1Confident210 Ų21054.5 Ų54.579%0.79229%0.289SS*.THydrogen-bonded Turntrans-71-18.5173.4-67.8175.4-164.1-1414.9113.5E33 E34 V35E33-R37 WeakPolarHBondContact O-CG 3.35Å; E33-R37 PolarHBondContact O-N 3.37Å; E34-R37 PolarHBondContact O-N 3.21Å; V35-R37 VanDerWaalsContact C-N 3.31Å; V35-R37 PolarHBondContact O-N 3.28Å
38G84.6Confident87Confident16 Ų1655.8 Ų55.817%0.16530%0.296CS..  trans153.3142.9178.300000111.7R30 E34 V35 D36 Y110R30-G38 PolarHBondContact NH2-O 3.48Å; E34-G38 PolarHBondContact O-N 3.44Å; V35-G38 CarbonylContact O-C 3.34Å; V35-G38 PolarHBondContact O-N 3.22Å; V35-G38 VanDerWaalsContact O-N 3.12Å; D36-G38 PolarHBondContact O-N 3.4Å; G38-Y110 VanDerWaalsContact CA-OH 3.26Å; G38-Y110 WeakPolarHBondContact CA-OH 3.47Å; G38-Y110 WeakPolarHBondContact O-CE2 3.42Å; G38-Y110 VanDerWaalsContact O-CZ 3.22Å; G38-Y110 PolarHBondContact O-OH 3.09Å
39H86.4Confident86.8Confident97 Ų9762.5 Ų62.545%0.44933%0.333SS..  trans-145.3165.6-176.858.1-85.8000110.7V35V35-H39 HydrophobicContact CG1-CB 3.84Å; V35-H39 PolarHBondContact O-ND1 2.72Å
40I85.5Confident86.7Confident0 Ų065.3 Ų65.30%035%0.35CS..  trans-73128.1179-56.9-173.7000108L13 L17 G42 S43 Y110 W113L13-I40 HydrophobicContact CD2-CD1 3.88Å; L17-I40 HydrophobicContact CD1-CG2 3.89Å; I40-G42 PolarHBondContact O-N 3.39Å; I40-S43 WeakPolarHBondContact O-CB 3.38Å; I40-S43 PolarHBondContact O-N 2.88Å; I40-S43 PolarHBondContact O-OG 2.86Å; I40-Y110 HydrophobicContact CG1-CD2 4.08Å; I40-W113 HydrophobicContact CD1-CB 4.38Å; I40-W113 HydrophobicContact CD1-CD2 4Å; I40-W113 HydrophobicContact CD1-CE3 4.27Å; I40-W113 HydrophobicContact CD1-CG 4.03Å; I40-W113 HydrophobicContact CG1-CD2 4.01Å; I40-W113 HydrophobicContact CG1-CG 3.91Å; I40-W113 HydrophobicContact CG2-CD2 4.38Å; I40-W113 HydrophobicContact CG2-CH2 4.29Å; I40-W113 HydrophobicContact CG2-CZ2 3.94Å
41P83.2Confident86.6Confident85 Ų8565.1 Ų65.155%0.55235%0.349SS*.THydrogen-bonded Turntrans-59.7129.2179.222-31.5000110.9S43 W113P41-S43 VanDerWaalsContact C-N 3.32Å; P41-W113 HydrophobicContact CG-CZ2 4.46Å
42G80.3Confident86.5Confident68 Ų6866.4 Ų66.470%0.70135%0.351SS*.THydrogen-bonded Turntrans83.21.2-175.600000114.8I40I40-G42 PolarHBondContact O-N 3.39Å
43S87.1Confident86.7Confident20 Ų2063.2 Ų63.214%0.1435%0.347CS..EExtended strand (participates in β ladder)trans-80.8150.5170.978.20000112.4V26 I40 P41V26-S43 CarbonylContact O-C 3.35Å; V26-S43 WeakPolarHBondContact O-CA 3.25Å; V26-S43 WeakPolarHBondContact O-CB 3.38Å; I40-S43 WeakPolarHBondContact O-CB 3.38Å; I40-S43 PolarHBondContact O-N 2.88Å; I40-S43 PolarHBondContact O-OG 2.86Å; P41-S43 VanDerWaalsContact C-N 3.32Å
44I88.4Confident86.8Confident16 Ų1656.7 Ų56.78%0.08232%0.317CS..EExtended strand (participates in β ladder)trans-103.4141.4172.763.7169.1000109.9L25 V26 V27 D28 I46 F62 V68L25-I44 HydrophobicContact CD1-CD1 4.05Å; L25-I44 HydrophobicContact CD1-CG1 4.33Å; L25-I44 HydrophobicContact CD1-CG2 4.24Å; L25-I44 HydrophobicContact CD2-CD1 3.89Å; L25-I44 HydrophobicContact CG-CD1 4.15Å; L25-I44 HydrophobicContact CG-CG1 4.46Å; V26-I44 WeakPolarHBondContact O-CG1 3.45Å; V26-I44 PolarHBondContact O-N 3.16Å; V27-I44 CarbonylContact C-O 3.47Å; V27-I44 WeakPolarHBondContact CA-O 2.99Å; V27-I44 HydrophobicContact CB-CG1 4.33Å; V27-I44 HydrophobicContact CG1-CG1 4.33Å; V27-I44 HydrophobicContact CG2-CD1 4.05Å; V27-I44 HydrophobicContact CG2-CG1 3.93Å; D28-I44 PolarHBondContact N-O 2.66Å; I44-I46 HydrophobicContact CD1-CD1 3.46Å; I44-I46 VanDerWaalsContact CD1-CD1 3.46Å; I44-I46 HydrophobicContact CD1-CG1 3.94Å; I44-I46 HydrophobicContact CG1-CD1 4.17Å; I44-I46 HydrophobicContact CG1-CG1 4.15Å; I44-I46 PolarHBondContact O-N 3.15Å; I44-F62 HydrophobicContact CD1-CE1 4.22Å; I44-F62 HydrophobicContact CD1-CZ 3.7Å; I44-V68 HydrophobicContact CD1-CG2 3.92Å; I44-V68 HydrophobicContact CG2-CB 4.38Å; I44-V68 HydrophobicContact CG2-CG1 3.77Å; I44-V68 HydrophobicContact CG2-CG2 3.76Å
45H90.6Very high86.7Confident52 Ų5254.9 Ų54.924%0.24131%0.308CS..EExtended strand (participates in β ladder)trans-87.3112.4177.8179.9-136.6000111D28 R30 K32 V35D28-H45 PolarHBondContact O-CD2 3.48Å; R30-H45 PolarHBondContact O-NE2 2.82Å; K32-H45 VanDerWaalsContact CA-CE1 3.48Å; K32-H45 WeakPolarHBondContact CA-CE1 3.49Å; K32-H45 PolarHBondContact N-CE1 2.88Å; V35-H45 HydrophobicContact CG1-CB 4.19Å; V35-H45 HydrophobicContact CG2-CB 4.44Å; V35-H45 VanDerWaalsContact CG2-CD2 3.47Å; V35-H45 WeakPolarHBondContact CG2-CD2 3.35Å
46I89.7Confident86.7Confident0 Ų057.1 Ų57.10%033%0.329CS..  trans-135.599.9173-51.5-174.3000109.3V27 D28 V29 I44 V51 A54 F62 Y66V27-I46 HydrophobicContact CG1-CB 3.63Å; V27-I46 HydrophobicContact CG1-CD1 3.95Å; V27-I46 HydrophobicContact CG1-CG1 3.84Å; D28-I46 CarbonylContact O-C 3.51Å; D28-I46 PolarHBondContact O-N 3.22Å; V29-I46 VanDerWaalsContact CA-O 3.22Å; V29-I46 WeakPolarHBondContact CA-O 3Å; V29-I46 WeakPolarHBondContact CG1-O 3.06Å; I44-I46 HydrophobicContact CD1-CD1 3.46Å; I44-I46 VanDerWaalsContact CD1-CD1 3.46Å; I44-I46 HydrophobicContact CD1-CG1 3.94Å; I44-I46 HydrophobicContact CG1-CD1 4.17Å; I44-I46 HydrophobicContact CG1-CG1 4.15Å; I44-I46 PolarHBondContact O-N 3.15Å; I46-V51 HydrophobicContact CG2-CB 3.93Å; I46-V51 HydrophobicContact CG2-CG2 3.97Å; I46-A54 HydrophobicContact CD1-CB 4.37Å; I46-A54 HydrophobicContact CG2-CB 3.79Å; I46-F62 HydrophobicContact CD1-CE2 3.61Å; I46-F62 HydrophobicContact CD1-CZ 3.69Å; I46-Y66 HydrophobicContact CB-CE1 4.49Å; I46-Y66 HydrophobicContact CD1-CD1 4.3Å; I46-Y66 HydrophobicContact CD1-CD2 4.49Å; I46-Y66 HydrophobicContact CD1-CE1 4.09Å; I46-Y66 HydrophobicContact CD1-CE2 4.3Å; I46-Y66 HydrophobicContact CG1-CD1 3.98Å; I46-Y66 HydrophobicContact CG1-CE1 3.63Å
47P89.7Confident86.8Confident44 Ų4452.9 Ų52.929%0.28631%0.306SS..  trans-51.2142.2178.1-23.929.6000112.8D49 T50 V51P47-D49 PolarHBondContact O-N 2.57Å; P47-D49 VanDerWaalsContact O-N 3.09Å; P47-T50 WeakPolarHBondContact CD-OG1 3.44Å; P47-T50 CarbonylContact O-C 3.54Å; P47-T50 PolarHBondContact O-N 2.78Å; P47-T50 PolarHBondContact O-OG1 3.34Å; P47-V51 PolarHBondContact O-N 3.45Å
48V88.3Confident86.9Confident26 Ų2648 Ų4816%0.15830%0.296CS..Hα-helixtrans-54.7-30.518067.10000113.6V29 T50 V51 R87 V90 A91V29-V48 HydrophobicContact CB-CB 4.06Å; V29-V48 HydrophobicContact CG2-CB 4.23Å; V29-V48 PolarHBondContact O-N 3.44Å; V48-T50 VanDerWaalsContact C-N 3.35Å; V48-V51 VanDerWaalsContact O-CG1 3.29Å; V48-V51 WeakPolarHBondContact O-CG1 3.44Å; V48-R87 HydrophobicContact CB-CB 4.39Å; V48-R87 HydrophobicContact CG1-CB 4.44Å; V48-R87 HydrophobicContact CG2-CB 4.4Å; V48-V90 HydrophobicContact CG2-CB 4.33Å; V48-V90 HydrophobicContact CG2-CG1 4.21Å; V48-A91 HydrophobicContact CG2-CB 4.43Å
49D87.3Confident86.9Confident142 Ų14250.6 Ų50.676%0.75931%0.309SS*.Hα-helixtrans-64.5-39.1174.3-92.7-100.4000112.6P47P47-D49 PolarHBondContact O-N 2.57Å; P47-D49 VanDerWaalsContact O-N 3.09Å
50T88.4Confident86.9Confident59 Ų5949.3 Ų49.336%0.36232%0.316SS..Hα-helixtrans-97.5-10.3-175.7590000113.5P47 V48 E52 S53 A54P47-T50 WeakPolarHBondContact CD-OG1 3.44Å; P47-T50 CarbonylContact O-C 3.54Å; P47-T50 PolarHBondContact O-N 2.78Å; P47-T50 PolarHBondContact O-OG1 3.34Å; V48-T50 VanDerWaalsContact C-N 3.35Å; T50-E52 VanDerWaalsContact C-N 3.29Å; T50-E52 PolarHBondContact O-N 3.41Å; T50-S53 PolarHBondContact O-N 2.91Å; T50-A54 VanDerWaalsContact O-CB 3.23Å; T50-A54 WeakPolarHBondContact O-CB 3.35Å; T50-A54 PolarHBondContact O-N 2.86Å
51V88.1Confident87Confident0 Ų054.5 Ų54.50%034%0.34CS..Hα-helixtrans-60.4-38.6-171.776.60000112.8V29 I46 P47 V48 A54 L55 F80 A91 K94V29-V51 HydrophobicContact CG1-CG2 4.45Å; I46-V51 HydrophobicContact CG2-CB 3.93Å; I46-V51 HydrophobicContact CG2-CG2 3.97Å; P47-V51 PolarHBondContact O-N 3.45Å; V48-V51 VanDerWaalsContact O-CG1 3.29Å; V48-V51 WeakPolarHBondContact O-CG1 3.44Å; V51-A54 PolarHBondContact O-N 3.27Å; V51-L55 HydrophobicContact CG2-CD1 3.98Å; V51-L55 HydrophobicContact CG2-CG 4.4Å; V51-L55 WeakPolarHBondContact O-CB 3.46Å; V51-L55 WeakPolarHBondContact O-CG 3.2Å; V51-L55 PolarHBondContact O-N 3.41Å; V51-F80 HydrophobicContact CG2-CD1 4.21Å; V51-F80 HydrophobicContact CG2-CE1 3.63Å; V51-A91 HydrophobicContact CG1-CB 3.84Å; V51-A91 HydrophobicContact CG2-CB 4.22Å; V51-K94 HydrophobicContact CG1-CD 3.96Å
52E86.6Confident87.2Confident85 Ų8550.4 Ų50.440%0.39731%0.314SS..Hα-helixtrans-65.5-51.1178.3-171.2179.4103.100110.9T50 A54 L55 A56 K94T50-E52 VanDerWaalsContact C-N 3.29Å; T50-E52 PolarHBondContact O-N 3.41Å; E52-A54 VanDerWaalsContact C-N 3.33Å; E52-A54 PolarHBondContact O-N 2.87Å; E52-L55 PolarHBondContact O-N 3.17Å; E52-A56 VanDerWaalsContact O-CB 3.28Å; E52-A56 WeakPolarHBondContact O-CB 3.16Å; E52-A56 PolarHBondContact O-N 2.98Å; E52-K94 HydrophobicContact CB-CB 4.41Å; E52-K94 HydrophobicContact CB-CD 4.18Å; E52-K94 HydrophobicContact CB-CG 4.49Å; E52-K94 WeakPolarHBondContact OE2-CG 3.48Å; E52-K94 IonicContact OE2-NZ 2.7Å; E52-K94 PolarHBondContact OE2-NZ 3.36Å
53S88.9Confident87.5Confident78 Ų7852 Ų5255%0.54530%0.303SS..Hα-helixtrans-62.5-42.1177.1-51.30000111.3T50 L55 A56 L57T50-S53 PolarHBondContact O-N 2.91Å; S53-L55 PolarHBondContact O-N 3.48Å; S53-A56 CarbonylContact O-C 3.55Å; S53-A56 WeakPolarHBondContact O-CB 3.45Å; S53-A56 PolarHBondContact O-N 3.25Å; S53-A56 VanDerWaalsContact O-N 3.13Å; S53-L57 WeakPolarHBondContact O-CG 3.41Å; S53-L57 PolarHBondContact O-N 3.03Å
54A87.8Confident87.5Confident2 Ų255.3 Ų55.32%0.01733%0.331CS..Hα-helixtrans-60.2-46.3178.100000111.7I46 T50 V51 E52 A56 L57 F62 Y66I46-A54 HydrophobicContact CD1-CB 4.37Å; I46-A54 HydrophobicContact CG2-CB 3.79Å; T50-A54 VanDerWaalsContact O-CB 3.23Å; T50-A54 WeakPolarHBondContact O-CB 3.35Å; T50-A54 PolarHBondContact O-N 2.86Å; V51-A54 PolarHBondContact O-N 3.27Å; E52-A54 VanDerWaalsContact C-N 3.33Å; E52-A54 PolarHBondContact O-N 2.87Å; A54-A56 VanDerWaalsContact C-N 3.28Å; A54-A56 PolarHBondContact O-N 3.42Å; A54-L57 WeakPolarHBondContact O-CB 3.47Å; A54-L57 PolarHBondContact O-N 3.46Å; A54-F62 HydrophobicContact CB-CE2 4.33Å; A54-F62 VanDerWaalsContact O-CD2 3.3Å; A54-F62 WeakPolarHBondContact O-CD2 3.45Å; A54-Y66 HydrophobicContact CB-CE2 3.83Å; A54-Y66 VanDerWaalsContact CB-OH 3.25Å; A54-Y66 WeakPolarHBondContact CB-OH 3.5Å
55L84.3Confident87.4Confident2 Ų261.4 Ų61.41%0.0136%0.357CS..Hα-helixtrans-71.5-23.7176.6-68.3171.7000112.6V51 E52 S53 K70 F80 A95 L98 F100V51-L55 HydrophobicContact CG2-CD1 3.98Å; V51-L55 HydrophobicContact CG2-CG 4.4Å; V51-L55 WeakPolarHBondContact O-CB 3.46Å; V51-L55 WeakPolarHBondContact O-CG 3.2Å; V51-L55 PolarHBondContact O-N 3.41Å; E52-L55 PolarHBondContact O-N 3.17Å; S53-L55 PolarHBondContact O-N 3.48Å; L55-K70 WeakPolarHBondContact O-CE 3.17Å; L55-K70 PolarHBondContact O-NZ 3.1Å; L55-F80 HydrophobicContact CD1-CE1 4.18Å; L55-F80 HydrophobicContact CD1-CZ 3.79Å; L55-A95 HydrophobicContact CD1-CB 3.54Å; L55-L98 HydrophobicContact CB-CD1 3.4Å; L55-L98 HydrophobicContact CD1-CD1 4.36Å; L55-F100 HydrophobicContact CB-CE2 4.16Å; L55-F100 HydrophobicContact CD2-CE2 4.01Å; L55-F100 HydrophobicContact CD2-CZ 4.17Å
56A86.3Confident87.1Confident66 Ų6661.5 Ų61.555%0.54536%0.356SS..Hα-helixtrans-79-19173.300000113.5E52 S53 A54 L98E52-A56 VanDerWaalsContact O-CB 3.28Å; E52-A56 WeakPolarHBondContact O-CB 3.16Å; E52-A56 PolarHBondContact O-N 2.98Å; S53-A56 CarbonylContact O-C 3.55Å; S53-A56 WeakPolarHBondContact O-CB 3.45Å; S53-A56 PolarHBondContact O-N 3.25Å; S53-A56 VanDerWaalsContact O-N 3.13Å; A54-A56 VanDerWaalsContact C-N 3.28Å; A54-A56 PolarHBondContact O-N 3.42Å; A56-L98 HydrophobicContact CB-CD2 4.36Å
57L86.6Confident86.7Confident43 Ų4364.5 Ų64.523%0.22539%0.387CS..SBendtrans-62.6154.8175.9-70.6172.9000112.1S53 A54 E61 K65 K70S53-L57 WeakPolarHBondContact O-CG 3.41Å; S53-L57 PolarHBondContact O-N 3.03Å; A54-L57 WeakPolarHBondContact O-CB 3.47Å; A54-L57 PolarHBondContact O-N 3.46Å; L57-E61 HydrophobicContact CB-CB 4.32Å; L57-K65 HydrophobicContact CD1-CD 4.16Å; L57-K70 PolarHBondContact O-NZ 3.44Å
58D87Confident86.2Confident107 Ų10764.1 Ų64.157%0.57238%0.383SS*.  trans-58.7146.8171.6-92.4-82.5000111.7A60 E61 F62D58-A60 PolarHBondContact O-N 3.12Å; D58-A60 VanDerWaalsContact O-N 3.15Å; D58-E61 HydrophobicContact CB-CG 4.39Å; D58-E61 PolarHBondContact O-N 3.47Å; D58-F62 PolarHBondContact O-N 2.83Å
59P83.6Confident85.9Confident70 Ų7067 Ų6746%0.45540%0.402SS..Hα-helixtrans-56.2-33.4-179.620.4-31.1000113.3Q63 K70P59-Q63 WeakPolarHBondContact O-CB 3.25Å; P59-Q63 PolarHBondContact O-N 2.76Å; P59-Q63 VanDerWaalsContact O-N 3.12Å; P59-K70 HydrophobicContact CB-CB 3.76Å; P59-K70 HydrophobicContact CB-CD 3.97Å; P59-K70 HydrophobicContact CB-CG 4.44Å
60A86.4Confident85.4Confident71 Ų7162.4 Ų62.459%0.58738%0.376SS*.Hα-helixtrans-68.4-43175.400000112.4D58 Q63 A64D58-A60 PolarHBondContact O-N 3.12Å; D58-A60 VanDerWaalsContact O-N 3.15Å; A60-Q63 PolarHBondContact O-N 2.91Å; A60-A64 WeakPolarHBondContact O-CB 3.36Å; A60-A64 PolarHBondContact O-N 3.03Å
61E88.6Confident84.8Confident108 Ų10860.1 Ų60.151%0.50536%0.362SS..Hα-helixtrans-69-41178-71.5-163.892.400111.9L57 D58 Q63 A64 K65L57-E61 HydrophobicContact CB-CB 4.32Å; D58-E61 HydrophobicContact CB-CG 4.39Å; D58-E61 PolarHBondContact O-N 3.47Å; E61-Q63 VanDerWaalsContact C-N 3.31Å; E61-Q63 PolarHBondContact O-N 3.47Å; E61-A64 PolarHBondContact O-N 2.7Å; E61-K65 VanDerWaalsContact O-CB 3.25Å; E61-K65 WeakPolarHBondContact O-CB 3.48Å; E61-K65 PolarHBondContact O-N 2.98Å
62F87.3Confident84.1Confident0 Ų064.4 Ų64.40%039%0.39CS..Hα-helixtrans-58.8-45.6175.5-174.2-90000110.9I44 I46 A54 D58 K65 Y66 V68 K70I44-F62 HydrophobicContact CD1-CE1 4.22Å; I44-F62 HydrophobicContact CD1-CZ 3.7Å; I46-F62 HydrophobicContact CD1-CE2 3.61Å; I46-F62 HydrophobicContact CD1-CZ 3.69Å; A54-F62 HydrophobicContact CB-CE2 4.33Å; A54-F62 VanDerWaalsContact O-CD2 3.3Å; A54-F62 WeakPolarHBondContact O-CD2 3.45Å; D58-F62 PolarHBondContact O-N 2.83Å; F62-K65 PolarHBondContact O-N 2.97Å; F62-Y66 HydrophobicContact CD1-CD2 4.22Å; F62-Y66 AromaticContact CD2-CD2 3.49Å; F62-Y66 HydrophobicContact CD2-CD2 3.49Å; F62-Y66 VanDerWaalsContact CD2-CD2 3.49Å; F62-Y66 AromaticContact CD2-CE2 3.67Å; F62-Y66 HydrophobicContact CD2-CE2 3.67Å; F62-Y66 HydrophobicContact CE1-CD2 4.27Å; F62-Y66 AromaticContact CE2-CD2 3.54Å; F62-Y66 HydrophobicContact CE2-CD2 3.54Å; F62-Y66 AromaticContact CE2-CE2 3.73Å; F62-Y66 HydrophobicContact CE2-CE2 3.73Å; F62-Y66 HydrophobicContact CE2-CG 4.38Å; F62-Y66 AromaticContact CG-CD2 3.86Å; F62-Y66 HydrophobicContact CG-CD2 3.86Å; F62-Y66 HydrophobicContact CG-CE2 4.43Å; F62-Y66 AromaticContact CZ-CD2 3.96Å; F62-Y66 HydrophobicContact CZ-CD2 3.96Å; F62-Y66 HydrophobicContact CZ-CG 4.41Å; F62-Y66 WeakPolarHBondContact O-CB 3.31Å; F62-Y66 WeakPolarHBondContact O-CD2 3.34Å; F62-Y66 PolarHBondContact O-N 2.75Å; F62-V68 HydrophobicContact CD1-CG2 4.38Å; F62-V68 WeakPolarHBondContact CD1-O 3.38Å; F62-V68 HydrophobicContact CE1-CG2 3.68Å; F62-V68 HydrophobicContact CZ-CG2 4.48Å; F62-K70 HydrophobicContact CB-CB 4.04Å; F62-K70 HydrophobicContact CB-CD 4.42Å; F62-K70 HydrophobicContact CB-CG 4.4Å; F62-K70 HydrophobicContact CD1-CB 3.76Å; F62-K70 HydrophobicContact CD1-CG 4.25Å; F62-K70 HydrophobicContact CE1-CB 4.47Å; F62-K70 HydrophobicContact CG-CB 4.03Å; F62-K70 HydrophobicContact CG-CG 4.23Å
63Q86.3Confident83.4Confident101 Ų10165 Ų6547%0.47240%0.396SS..Hα-helixtrans-64.6-41.2176.2-173.7177.118.600112.7P59 A60 E61 K65 G67 V68P59-Q63 WeakPolarHBondContact O-CB 3.25Å; P59-Q63 PolarHBondContact O-N 2.76Å; P59-Q63 VanDerWaalsContact O-N 3.12Å; A60-Q63 PolarHBondContact O-N 2.91Å; E61-Q63 VanDerWaalsContact C-N 3.31Å; E61-Q63 PolarHBondContact O-N 3.47Å; Q63-K65 VanDerWaalsContact C-N 3.28Å; Q63-K65 PolarHBondContact O-N 3Å; Q63-G67 WeakPolarHBondContact O-CA 3.49Å; Q63-G67 PolarHBondContact O-N 3.32Å; Q63-V68 WeakPolarHBondContact CA-O 3.1Å; Q63-V68 WeakPolarHBondContact CB-O 3.47Å
64A87.6Confident82.4Confident89 Ų8966.8 Ų66.874%0.73640%0.399SS*.Hα-helixtrans-64.1-34.717600000112.3A60 E61A60-A64 WeakPolarHBondContact O-CB 3.36Å; A60-A64 PolarHBondContact O-N 3.03Å; E61-A64 PolarHBondContact O-N 2.7Å
65K86.4Confident81.5Confident145 Ų14567.2 Ų67.263%0.6340%0.401SS*.Hα-helixtrans-83.3-42.2-175.9-170.1168.5-172.5141.90113.7L57 E61 F62 Q63L57-K65 HydrophobicContact CD1-CD 4.16Å; E61-K65 VanDerWaalsContact O-CB 3.25Å; E61-K65 WeakPolarHBondContact O-CB 3.48Å; E61-K65 PolarHBondContact O-N 2.98Å; F62-K65 PolarHBondContact O-N 2.97Å; Q63-K65 VanDerWaalsContact C-N 3.28Å; Q63-K65 PolarHBondContact O-N 3Å
66Y84.1Confident80.5Confident53 Ų5370.9 Ų70.921%0.20843%0.425CS..Hα-helixtrans-106.3-7.1-174.3-61.6-75.4000113.3I46 A54 F62 V68I46-Y66 HydrophobicContact CB-CE1 4.49Å; I46-Y66 HydrophobicContact CD1-CD1 4.3Å; I46-Y66 HydrophobicContact CD1-CD2 4.49Å; I46-Y66 HydrophobicContact CD1-CE1 4.09Å; I46-Y66 HydrophobicContact CD1-CE2 4.3Å; I46-Y66 HydrophobicContact CG1-CD1 3.98Å; I46-Y66 HydrophobicContact CG1-CE1 3.63Å; A54-Y66 HydrophobicContact CB-CE2 3.83Å; A54-Y66 VanDerWaalsContact CB-OH 3.25Å; A54-Y66 WeakPolarHBondContact CB-OH 3.5Å; F62-Y66 HydrophobicContact CD1-CD2 4.22Å; F62-Y66 AromaticContact CD2-CD2 3.49Å; F62-Y66 HydrophobicContact CD2-CD2 3.49Å; F62-Y66 VanDerWaalsContact CD2-CD2 3.49Å; F62-Y66 AromaticContact CD2-CE2 3.67Å; F62-Y66 HydrophobicContact CD2-CE2 3.67Å; F62-Y66 HydrophobicContact CE1-CD2 4.27Å; F62-Y66 AromaticContact CE2-CD2 3.54Å; F62-Y66 HydrophobicContact CE2-CD2 3.54Å; F62-Y66 AromaticContact CE2-CE2 3.73Å; F62-Y66 HydrophobicContact CE2-CE2 3.73Å; F62-Y66 HydrophobicContact CE2-CG 4.38Å; F62-Y66 AromaticContact CG-CD2 3.86Å; F62-Y66 HydrophobicContact CG-CD2 3.86Å; F62-Y66 HydrophobicContact CG-CE2 4.43Å; F62-Y66 AromaticContact CZ-CD2 3.96Å; F62-Y66 HydrophobicContact CZ-CD2 3.96Å; F62-Y66 HydrophobicContact CZ-CG 4.41Å; F62-Y66 WeakPolarHBondContact O-CB 3.31Å; F62-Y66 WeakPolarHBondContact O-CD2 3.34Å; F62-Y66 PolarHBondContact O-N 2.75Å; Y66-V68 PolarHBondContact O-N 3.13Å
67G80.4Confident80Confident63 Ų6368.6 Ų68.665%0.64940%0.403SS*.SBendtrans73.62.2-178.800000114.3Q63Q63-G67 WeakPolarHBondContact O-CA 3.49Å; Q63-G67 PolarHBondContact O-N 3.32Å
68V80.5Confident80.1Confident36 Ų3666.6 Ų66.622%0.21839%0.393CS..SBendtrans-120139.6-177.9-68.90000111.3L25 I44 F62 Q63 Y66 K70L25-V68 HydrophobicContact CD1-CG2 4.37Å; I44-V68 HydrophobicContact CD1-CG2 3.92Å; I44-V68 HydrophobicContact CG2-CB 4.38Å; I44-V68 HydrophobicContact CG2-CG1 3.77Å; I44-V68 HydrophobicContact CG2-CG2 3.76Å; F62-V68 HydrophobicContact CD1-CG2 4.38Å; F62-V68 WeakPolarHBondContact CD1-O 3.38Å; F62-V68 HydrophobicContact CE1-CG2 3.68Å; F62-V68 HydrophobicContact CZ-CG2 4.48Å; Q63-V68 WeakPolarHBondContact CA-O 3.1Å; Q63-V68 WeakPolarHBondContact CB-O 3.47Å; Y66-V68 PolarHBondContact O-N 3.13Å; V68-K70 PolarHBondContact O-N 3.28Å
69P80.4Confident80.2Confident86 Ų8661.5 Ų61.556%0.55837%0.366SS*.PPolyproline II helixtrans-60.5135.2175.226.2-32.8000109.7
70K78.6Confident80.6Confident46 Ų4658.2 Ų58.220%0.234%0.344CS..PPolyproline II helixtrans-58.9129.9174.8-172.9178.9178.5175.80108.8L55 L57 P59 F62 V68L55-K70 WeakPolarHBondContact O-CE 3.17Å; L55-K70 PolarHBondContact O-NZ 3.1Å; L57-K70 PolarHBondContact O-NZ 3.44Å; P59-K70 HydrophobicContact CB-CB 3.76Å; P59-K70 HydrophobicContact CB-CD 3.97Å; P59-K70 HydrophobicContact CB-CG 4.44Å; F62-K70 HydrophobicContact CB-CB 4.04Å; F62-K70 HydrophobicContact CB-CD 4.42Å; F62-K70 HydrophobicContact CB-CG 4.4Å; F62-K70 HydrophobicContact CD1-CB 3.76Å; F62-K70 HydrophobicContact CD1-CG 4.25Å; F62-K70 HydrophobicContact CE1-CB 4.47Å; F62-K70 HydrophobicContact CG-CB 4.03Å; F62-K70 HydrophobicContact CG-CG 4.23Å; V68-K70 PolarHBondContact O-N 3.28Å
71P74.1Confident80.8Confident11 Ų1154.8 Ų54.87%0.07132%0.316CS..PPolyproline II helixtrans-64136.5178.626.2-31.3000108.4L25 T75 L78 F100L25-P71 HydrophobicContact CD2-CB 4.32Å; L25-P71 HydrophobicContact CD2-CG 3.58Å; P71-T75 HydrophobicContact CB-CG2 4.12Å; P71-L78 HydrophobicContact CG-CD1 4.12Å; P71-F100 HydrophobicContact CB-CE1 4.49Å; P71-F100 HydrophobicContact CG-CE1 3.93Å; P71-F100 WeakPolarHBondContact O-CE1 3.12Å
72P75.1Confident80.8Confident91 Ų9149.9 Ų49.959%0.59129%0.293SS*.PPolyproline II helixtrans-59152.4169.916.3-25000110.6D74 T75P72-D74 PolarHBondContact O-N 3.15Å; P72-D74 VanDerWaalsContact O-N 3.1Å; P72-T75 WeakPolarHBondContact CD-OG1 3.45Å; P72-T75 WeakPolarHBondContact CG-OG1 3.11Å; P72-T75 VanDerWaalsContact N-OG1 3.13Å; P72-T75 WeakPolarHBondContact O-CB 3.44Å; P72-T75 PolarHBondContact O-N 2.94Å; P72-T75 PolarHBondContact O-OG1 3.23Å
73L72.1Confident80.7Confident98 Ų9852.8 Ų52.851%0.51331%0.307SS..THydrogen-bonded Turntrans-57.3-28.5-179.7-66.5169.2000112.8T75 F100L73-T75 VanDerWaalsContact C-N 3.28Å; L73-T75 PolarHBondContact O-N 3.37Å; L73-F100 HydrophobicContact CD2-CD1 4.19Å; L73-F100 HydrophobicContact CD2-CD2 4.01Å; L73-F100 HydrophobicContact CD2-CE1 4.03Å; L73-F100 HydrophobicContact CD2-CE2 3.85Å; L73-F100 HydrophobicContact CD2-CG 4.18Å; L73-F100 HydrophobicContact CD2-CZ 3.87Å
74D66.9Low80.5Confident115 Ų11554.4 Ų54.462%0.61532%0.316SS*.THydrogen-bonded Turntrans-83.81.7177.5-155.6-103.3000113.8P72 P76 K102P72-D74 PolarHBondContact O-N 3.15Å; P72-D74 VanDerWaalsContact O-N 3.1Å; D74-P76 WeakPolarHBondContact O-CD 3.33Å; D74-P76 VanDerWaalsContact O-N 3.11Å; D74-K102 VanDerWaalsContact CG-NZ 3.28Å; D74-K102 WeakPolarHBondContact O-CD 3.3Å; D74-K102 WeakPolarHBondContact O-CE 3.36Å; D74-K102 PolarHBondContact O-NZ 2.74Å; D74-K102 IonicContact OD1-NZ 3.98Å; D74-K102 PolarHBondContact OD1-NZ 3.37Å; D74-K102 IonicContact OD2-NZ 2.68Å; D74-K102 PolarHBondContact OD2-NZ 2.9Å
75T68.5Low80.2Confident10 Ų1050.5 Ų50.56%0.06129%0.285CS..  trans-60.5115.8-178.3-59.70000110.2G23 P71 P72 L73 E77 K102G23-T75 WeakPolarHBondContact O-CG2 3.37Å; P71-T75 HydrophobicContact CB-CG2 4.12Å; P72-T75 WeakPolarHBondContact CD-OG1 3.45Å; P72-T75 WeakPolarHBondContact CG-OG1 3.11Å; P72-T75 VanDerWaalsContact N-OG1 3.13Å; P72-T75 WeakPolarHBondContact O-CB 3.44Å; P72-T75 PolarHBondContact O-N 2.94Å; P72-T75 PolarHBondContact O-OG1 3.23Å; L73-T75 VanDerWaalsContact C-N 3.28Å; L73-T75 PolarHBondContact O-N 3.37Å; T75-E77 PolarHBondContact O-N 2.86Å; T75-K102 WeakPolarHBondContact O-CB 3.38Å
76P63.5Low80Confident80 Ų8054.2 Ų54.252%0.51930%0.295SS..THydrogen-bonded Turntrans-72.9-7-177.826-28.4000114.6D74 K102D74-P76 WeakPolarHBondContact O-CD 3.33Å; D74-P76 VanDerWaalsContact O-N 3.11Å; P76-K102 HydrophobicContact CB-CD 3.67Å
77E76.4Confident80.2Confident18 Ų1857.1 Ų57.18%0.08431%0.306CS..THydrogen-bonded Turntrans-128.445.8-164.2-64.1173.5116.800111.2L16 N21 L24 L25 T75L16-E77 HydrophobicContact CD2-CG 4Å; L16-E77 WeakPolarHBondContact CD2-OE1 3.24Å; N21-E77 WeakPolarHBondContact CB-OE1 3.36Å; N21-E77 WeakPolarHBondContact CB-OE2 3.28Å; N21-E77 PolarHBondContact ND2-OE1 2.81Å; N21-E77 PolarHBondContact ND2-OE2 3.24Å; L24-E77 WeakPolarHBondContact CA-O 3.33Å; L24-E77 HydrophobicContact CB-CB 4.15Å; L24-E77 HydrophobicContact CD1-CB 3.84Å; L24-E77 WeakPolarHBondContact CD1-O 3.48Å; L25-E77 PolarHBondContact N-O 2.64Å; T75-E77 PolarHBondContact O-N 2.86Å
78L87.6Confident80.5Confident1 Ų154.1 Ų54.11%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-95.5106.6171.7-176.661.2000109.6L25 V27 P71 F80 F100 A103 V104L25-L78 HydrophobicContact CB-CD1 3.9Å; L25-L78 HydrophobicContact CD2-CD1 3.77Å; L25-L78 HydrophobicContact CG-CD1 4.17Å; V27-L78 HydrophobicContact CG2-CD1 3.91Å; P71-L78 HydrophobicContact CG-CD1 4.12Å; L78-F80 HydrophobicContact CD1-CE2 4.25Å; L78-F80 HydrophobicContact CD1-CZ 4.13Å; L78-F80 HydrophobicContact CD2-CE2 3.62Å; L78-F80 HydrophobicContact CD2-CZ 3.72Å; L78-F80 HydrophobicContact CG-CD2 4.38Å; L78-F80 HydrophobicContact CG-CE2 3.53Å; L78-F80 HydrophobicContact CG-CZ 3.84Å; L78-F100 HydrophobicContact CD2-CB 3.95Å; L78-F100 HydrophobicContact CD2-CD1 3.56Å; L78-F100 HydrophobicContact CD2-CE1 4.16Å; L78-F100 HydrophobicContact CD2-CG 3.78Å; L78-A103 HydrophobicContact CD2-CB 4.18Å; L78-A103 HydrophobicContact CG-CB 4.44Å; L78-A103 WeakPolarHBondContact O-CA 3.44Å; L78-V104 PolarHBondContact O-N 3.41Å
79V90.3Very high80.8Confident0 Ų053.2 Ų53.20%027%0.272CS..EExtended strand (participates in β ladder)trans-109.4126.1-177.4-173.80000110I8 L13 L16 L24 L25 V26 V27 V104I8-V79 HydrophobicContact CD1-CB 4.43Å; I8-V79 HydrophobicContact CD1-CG1 3.68Å; I8-V79 HydrophobicContact CD1-CG2 3.83Å; I8-V79 HydrophobicContact CG1-CG1 4.31Å; L13-V79 HydrophobicContact CD1-CB 4.49Å; L13-V79 HydrophobicContact CD1-CG1 4.16Å; L13-V79 HydrophobicContact CD1-CG2 4.35Å; L16-V79 HydrophobicContact CD1-CG2 4.04Å; L24-V79 HydrophobicContact CD1-CG2 3.89Å; L25-V79 PolarHBondContact O-N 3.42Å; V26-V79 CarbonylContact C-O 3.49Å; V26-V79 WeakPolarHBondContact CA-O 3.26Å; V26-V79 HydrophobicContact CG2-CB 4.44Å; V27-V79 PolarHBondContact N-O 2.75Å; V79-V104 CarbonylContact C-O 3.38Å; V79-V104 WeakPolarHBondContact CA-O 3.38Å; V79-V104 HydrophobicContact CB-CG2 4.23Å; V79-V104 HydrophobicContact CG1-CG2 4.32Å; V79-V104 HydrophobicContact CG2-CG2 3.76Å
80F91.3Very high81.2Confident0 Ų052.7 Ų52.70%027%0.267CS..EExtended strand (participates in β ladder)trans-102.6140.3169.4-64.1-87.8000110.1V27 V29 V51 L55 L78 A91 T92 A95 A103 V104 N105 Y106V27-F80 HydrophobicContact CB-CD1 3.57Å; V27-F80 HydrophobicContact CB-CE1 3.69Å; V27-F80 HydrophobicContact CB-CG 4.41Å; V27-F80 HydrophobicContact CG1-CD1 3.81Å; V27-F80 HydrophobicContact CG1-CE1 3.78Å; V27-F80 HydrophobicContact CG2-CD1 4.18Å; V27-F80 HydrophobicContact CG2-CE1 3.83Å; V27-F80 HydrophobicContact CG2-CZ 4.36Å; V27-F80 WeakPolarHBondContact O-CA 3.42Å; V29-F80 HydrophobicContact CG1-CD1 3.96Å; V51-F80 HydrophobicContact CG2-CD1 4.21Å; V51-F80 HydrophobicContact CG2-CE1 3.63Å; L55-F80 HydrophobicContact CD1-CE1 4.18Å; L55-F80 HydrophobicContact CD1-CZ 3.79Å; L78-F80 HydrophobicContact CD1-CE2 4.25Å; L78-F80 HydrophobicContact CD1-CZ 4.13Å; L78-F80 HydrophobicContact CD2-CE2 3.62Å; L78-F80 HydrophobicContact CD2-CZ 3.72Å; L78-F80 HydrophobicContact CG-CD2 4.38Å; L78-F80 HydrophobicContact CG-CE2 3.53Å; L78-F80 HydrophobicContact CG-CZ 3.84Å; F80-A91 HydrophobicContact CB-CB 4.29Å; F80-A91 HydrophobicContact CD1-CB 3.73Å; F80-A91 HydrophobicContact CE1-CB 4.36Å; F80-A91 HydrophobicContact CG-CB 4.08Å; F80-T92 WeakPolarHBondContact CB-OG1 3.16Å; F80-A95 HydrophobicContact CE2-CB 3.46Å; F80-A95 VanDerWaalsContact CE2-CB 3.46Å; F80-A95 HydrophobicContact CZ-CB 3.54Å; F80-A103 HydrophobicContact CD2-CB 4.31Å; F80-A103 HydrophobicContact CE2-CB 3.84Å; F80-V104 PolarHBondContact N-O 3.3Å; F80-N105 CarbonylContact O-C 3.4Å; F80-N105 WeakPolarHBondContact O-CA 3.48Å; F80-N105 PolarHBondContact O-OD1 3.31Å; F80-Y106 PolarHBondContact O-N 3.39Å
81H91.4Very high81.8Confident0 Ų050.5 Ų50.50%026%0.258CS..EExtended strand (participates in β ladder)trans-141.3155.1172.177.299.9000110.9V27 D28 V29 Y106V27-H81 PolarHBondContact O-CD2 3.1Å; V27-H81 PolarHBondContact O-N 2.82Å; D28-H81 WeakPolarHBondContact CB-NE2 3.48Å; D28-H81 IonicContact OD1-CE1 3.47Å; D28-H81 IonicContact OD2-CE1 3.41Å; D28-H81 PolarHBondContact OD2-CE1 3.01Å; D28-H81 IonicContact OD2-NE2 2.78Å; D28-H81 PolarHBondContact OD2-NE2 3.48Å; V29-H81 WeakPolarHBondContact CG2-O 3.31Å; V29-H81 PolarHBondContact N-O 3.12Å; H81-Y106 HydrophobicContact CB-CD1 3.86Å; H81-Y106 HydrophobicContact CB-CG 4.36Å
82C88.8Confident82.5Confident4 Ų450 Ų503%0.02725%0.254CS..  trans-129.4-160.8170.382.80000110.5V29 R30 M84 G85 R86 R87 G109 Y110V29-C82 HydrophobicContact CG2-CB 3.64Å; R30-C82 HydrophobicContact CG-CB 4.3Å; C82-M84 PolarHBondContact SG-N 3.46Å; C82-M84 VanDerWaalsContact SG-N 3.43Å; C82-G85 VanDerWaalsContact SG-C 3.51Å; C82-G85 PolarHBondContact SG-N 2.81Å; C82-R86 PolarHBondContact SG-N 3.25Å; C82-R86 VanDerWaalsContact SG-N 3.36Å; C82-R87 HydrophobicContact CB-CB 3.67Å; C82-R87 PolarHBondContact SG-N 3.18Å; C82-G109 CarbonylContact O-C 3.6Å; C82-G109 WeakPolarHBondContact O-CA 3.37Å; C82-Y110 PolarHBondContact O-N 2.89Å
83Q85.1Confident83.2Confident62 Ų6250.1 Ų50.129%0.2925%0.25SS..SBendtrans-62.7-44.9176-16472.73.100112.4R30 E34 Y110 Q111R30-Q83 HydrophobicContact CG-CB 4.4Å; E34-Q83 WeakPolarHBondContact OE1-CB 3.46Å; E34-Q83 PolarHBondContact OE1-OE1 2.97Å; E34-Q83 VanDerWaalsContact OE1-OE1 3.11Å; Q83-Y110 PolarHBondContact O-N 3.01Å; Q83-Q111 WeakPolarHBondContact O-CB 3.42Å; Q83-Q111 PolarHBondContact O-N 3.13Å; Q83-Q111 VanDerWaalsContact O-N 3.13Å
84M82.4Confident84Confident134 Ų13448.3 Ų48.366%0.6624%0.238SC*.SBendtrans-136.431-172.5-54173.873.100113.2C82 R86C82-M84 PolarHBondContact SG-N 3.46Å; C82-M84 VanDerWaalsContact SG-N 3.43Å; M84-R86 PolarHBondContact O-N 3.47Å
85G80.3Confident85.1Confident8 Ų842.9 Ų42.98%0.08221%0.209CC..SBendtrans71.6-21.6-179.700000118.1C82 G88 G89 N105 A107C82-G85 VanDerWaalsContact SG-C 3.51Å; C82-G85 PolarHBondContact SG-N 2.81Å; G85-G88 PolarHBondContact O-N 3.05Å; G85-G89 PolarHBondContact O-N 3.11Å; G85-G89 VanDerWaalsContact O-N 3.09Å; G85-N105 PolarHBondContact O-ND2 3.33Å; G85-N105 PolarHBondContact O-OD1 3.24Å; G85-A107 WeakPolarHBondContact CA-O 3.49Å
86R83.1Confident86Confident223 Ų22345.8 Ų45.884%0.84222%0.219SC*.Hα-helixtrans-65.9-46.7-173.2-152.6177.8-173.8-133.41.2114.6C82 M84C82-R86 PolarHBondContact SG-N 3.25Å; C82-R86 VanDerWaalsContact SG-N 3.36Å; M84-R86 PolarHBondContact O-N 3.47Å
87R87.6Confident87.1Confident114 Ų11445.3 Ų45.343%0.4323%0.229SC..Hα-helixtrans-75-32.1176.8-60.5175179.6158.7-0.5111.4V29 E34 V48 C82 G89 V90 A91V29-R87 HydrophobicContact CG2-CB 3.9Å; E34-R87 IonicContact OE2-NH1 2.86Å; E34-R87 PolarHBondContact OE2-NH1 2.96Å; V48-R87 HydrophobicContact CB-CB 4.39Å; V48-R87 HydrophobicContact CG1-CB 4.44Å; V48-R87 HydrophobicContact CG2-CB 4.4Å; C82-R87 HydrophobicContact CB-CB 3.67Å; C82-R87 PolarHBondContact SG-N 3.18Å; R87-G89 VanDerWaalsContact C-N 3.32Å; R87-G89 PolarHBondContact O-N 2.77Å; R87-V90 PolarHBondContact O-N 2.94Å; R87-A91 PolarHBondContact O-N 2.95Å
88G86.3Confident87.5Confident0 Ų047.6 Ų47.60%024%0.241CC..Hα-helixtrans-58.1-45.9175.700000111G85 V90 A91 T92 N105G85-G88 PolarHBondContact O-N 3.05Å; G88-V90 VanDerWaalsContact C-N 3.29Å; G88-V90 PolarHBondContact O-N 3.49Å; G88-A91 WeakPolarHBondContact O-CB 3.4Å; G88-A91 PolarHBondContact O-N 2.7Å; G88-A91 VanDerWaalsContact O-N 3.1Å; G88-T92 PolarHBondContact O-N 3.46Å; G88-T92 PolarHBondContact O-OG1 3.48Å; G88-N105 WeakPolarHBondContact CA-OD1 3.49Å
89G87.3Confident87.4Confident16 Ų1648.9 Ų48.917%0.16526%0.255CS..Hα-helixtrans-59.6-34.7176.600000114.4G85 R87 D93 N105G85-G89 PolarHBondContact O-N 3.11Å; G85-G89 VanDerWaalsContact O-N 3.09Å; R87-G89 VanDerWaalsContact C-N 3.32Å; R87-G89 PolarHBondContact O-N 2.77Å; G89-D93 PolarHBondContact O-N 3.41Å; G89-D93 VanDerWaalsContact O-N 3.13Å; G89-N105 VanDerWaalsContact N-CG 3.34Å; G89-N105 PolarHBondContact N-OD1 3.35Å
90V89.3Confident87.2Confident75 Ų7549 Ų4946%0.45526%0.255SS..Hα-helixtrans-69.7-43175.11770000111V48 R87 G88 D93 K94V48-V90 HydrophobicContact CG2-CB 4.33Å; V48-V90 HydrophobicContact CG2-CG1 4.21Å; R87-V90 PolarHBondContact O-N 2.94Å; G88-V90 VanDerWaalsContact C-N 3.29Å; G88-V90 PolarHBondContact O-N 3.49Å; V90-D93 PolarHBondContact O-N 3.36Å; V90-K94 HydrophobicContact CG1-CD 4.16Å; V90-K94 WeakPolarHBondContact O-CG 3.23Å; V90-K94 PolarHBondContact O-N 3.43Å
91A89.8Confident86.8Confident0 Ų056.4 Ų56.40%029%0.29CS..Hα-helixtrans-64.4-41.2176.800000112.2V29 V48 V51 F80 R87 G88 D93 K94 A95V29-A91 HydrophobicContact CB-CB 4.39Å; V29-A91 HydrophobicContact CG1-CB 3.65Å; V29-A91 HydrophobicContact CG2-CB 4.34Å; V48-A91 HydrophobicContact CG2-CB 4.43Å; V51-A91 HydrophobicContact CG1-CB 3.84Å; V51-A91 HydrophobicContact CG2-CB 4.22Å; F80-A91 HydrophobicContact CB-CB 4.29Å; F80-A91 HydrophobicContact CD1-CB 3.73Å; F80-A91 HydrophobicContact CE1-CB 4.36Å; F80-A91 HydrophobicContact CG-CB 4.08Å; R87-A91 PolarHBondContact O-N 2.95Å; G88-A91 WeakPolarHBondContact O-CB 3.4Å; G88-A91 PolarHBondContact O-N 2.7Å; G88-A91 VanDerWaalsContact O-N 3.1Å; A91-D93 VanDerWaalsContact C-N 3.3Å; A91-D93 PolarHBondContact O-N 3.29Å; A91-K94 PolarHBondContact O-N 2.98Å; A91-A95 WeakPolarHBondContact O-CB 3.4Å; A91-A95 PolarHBondContact O-N 2.71Å
92T90.1Very high86.5Confident0 Ų060.1 Ų60.10%031%0.306CS..Hα-helixtrans-60.1-40.9173.9-56.40000111.6K6 F80 G88 A95 R96 A103 V104 N105K6-T92 HydrophobicContact CB-CG2 4.16Å; K6-T92 HydrophobicContact CD-CG2 4.27Å; F80-T92 WeakPolarHBondContact CB-OG1 3.16Å; G88-T92 PolarHBondContact O-N 3.46Å; G88-T92 PolarHBondContact O-OG1 3.48Å; T92-A95 PolarHBondContact O-N 2.92Å; T92-R96 WeakPolarHBondContact O-CB 3.38Å; T92-R96 WeakPolarHBondContact O-CG 3.4Å; T92-R96 PolarHBondContact O-N 3.36Å; T92-A103 HydrophobicContact CG2-CB 4.04Å; T92-A103 WeakPolarHBondContact CG2-O 3.25Å; T92-V104 PolarHBondContact OG1-O 3.39Å; T92-N105 HydrophobicContact CG2-CB 4.47Å; T92-N105 WeakPolarHBondContact OG1-CB 3.4Å
93D89.3Confident86.5Confident95 Ų9560 Ų6051%0.50831%0.305SS..Hα-helixtrans-64.1-46.5178.1-140.3-100000111.6K6 G89 V90 A91 A95 R96 G97K6-D93 IonicContact NZ-OD2 2.72Å; K6-D93 PolarHBondContact NZ-OD2 3.26Å; G89-D93 PolarHBondContact O-N 3.41Å; G89-D93 VanDerWaalsContact O-N 3.13Å; V90-D93 PolarHBondContact O-N 3.36Å; A91-D93 VanDerWaalsContact C-N 3.3Å; A91-D93 PolarHBondContact O-N 3.29Å; D93-A95 VanDerWaalsContact C-N 3.33Å; D93-A95 PolarHBondContact O-N 3.08Å; D93-R96 PolarHBondContact O-N 2.91Å; D93-G97 PolarHBondContact O-N 3.15Å
94K89.5Confident86.7Confident60 Ų6058 Ų5826%0.26130%0.297SS..Hα-helixtrans-57.9-45.2173.9-71.5165167-93.90111.5V51 E52 V90 A91 G97 L98V51-K94 HydrophobicContact CG1-CD 3.96Å; E52-K94 HydrophobicContact CB-CB 4.41Å; E52-K94 HydrophobicContact CB-CD 4.18Å; E52-K94 HydrophobicContact CB-CG 4.49Å; E52-K94 WeakPolarHBondContact OE2-CG 3.48Å; E52-K94 IonicContact OE2-NZ 2.7Å; E52-K94 PolarHBondContact OE2-NZ 3.36Å; V90-K94 HydrophobicContact CG1-CD 4.16Å; V90-K94 WeakPolarHBondContact O-CG 3.23Å; V90-K94 PolarHBondContact O-N 3.43Å; A91-K94 PolarHBondContact O-N 2.98Å; K94-G97 PolarHBondContact O-N 3.43Å; K94-L98 WeakPolarHBondContact O-CG 3.18Å; K94-L98 PolarHBondContact O-N 3.04Å
95A88.4Confident87.1Confident0 Ų051.9 Ų51.90%027%0.267CS..Hα-helixtrans-62-46.517700000111.9L55 F80 A91 T92 D93 G97 L98 G99 F100 A103L55-A95 HydrophobicContact CD1-CB 3.54Å; F80-A95 HydrophobicContact CE2-CB 3.46Å; F80-A95 VanDerWaalsContact CE2-CB 3.46Å; F80-A95 HydrophobicContact CZ-CB 3.54Å; A91-A95 WeakPolarHBondContact O-CB 3.4Å; A91-A95 PolarHBondContact O-N 2.71Å; T92-A95 PolarHBondContact O-N 2.92Å; D93-A95 VanDerWaalsContact C-N 3.33Å; D93-A95 PolarHBondContact O-N 3.08Å; A95-G97 VanDerWaalsContact C-N 3.28Å; A95-G97 PolarHBondContact O-N 3.36Å; A95-L98 WeakPolarHBondContact O-CB 3.22Å; A95-L98 PolarHBondContact O-N 2.89Å; A95-G99 PolarHBondContact O-N 2.88Å; A95-F100 HydrophobicContact CB-CB 4.14Å; A95-F100 HydrophobicContact CB-CD2 4.37Å; A95-F100 WeakPolarHBondContact O-CB 3.21Å; A95-F100 WeakPolarHBondContact O-CD2 3.47Å; A95-F100 PolarHBondContact O-N 3.34Å; A95-F100 VanDerWaalsContact O-N 3.08Å; A95-A103 HydrophobicContact CB-CB 4Å
96R87.8Confident87.7Confident72 Ų7251.5 Ų51.527%0.27226%0.263SS..Hα-helixtrans-58.9-40175.8-77.7-173.2167.4-162.7-5.4111.7D5 T92 D93 L98 G99 F100 Q101 A103D5-R96 IonicContact OD1-CZ 3.03Å; D5-R96 IonicContact OD1-NH1 3.26Å; D5-R96 PolarHBondContact OD1-NH1 3.03Å; D5-R96 IonicContact OD1-NH2 3.9Å; D5-R96 PolarHBondContact OD1-NH2 2.88Å; T92-R96 WeakPolarHBondContact O-CB 3.38Å; T92-R96 WeakPolarHBondContact O-CG 3.4Å; T92-R96 PolarHBondContact O-N 3.36Å; D93-R96 PolarHBondContact O-N 2.91Å; R96-L98 PolarHBondContact O-N 3.05Å; R96-G99 PolarHBondContact O-N 3.09Å; R96-F100 VanDerWaalsContact CG-O 3.31Å; R96-F100 WeakPolarHBondContact CG-O 3.32Å; R96-Q101 PolarHBondContact NE-O 3.43Å; R96-Q101 PolarHBondContact NH2-O 3.48Å; R96-A103 HydrophobicContact CG-CB 4.17Å; R96-A103 PolarHBondContact NE-O 3.2Å; R96-A103 VanDerWaalsContact NE-O 3.08Å; R96-A103 PolarHBondContact NH2-O 2.7Å
97G86.5Confident87.8Confident70 Ų7043.3 Ų43.372%0.72224%0.243SC*.Hα-helixtrans-61.4-27.5174.600000114.3D93 K94 A95 G99D93-G97 PolarHBondContact O-N 3.15Å; K94-G97 PolarHBondContact O-N 3.43Å; A95-G97 VanDerWaalsContact C-N 3.28Å; A95-G97 PolarHBondContact O-N 3.36Å; G97-G99 VanDerWaalsContact C-N 3.3Å
98L85.9Confident87.6Confident65 Ų6538.8 Ų38.834%0.3423%0.233SC..THydrogen-bonded Turntrans-85-0.1175.4-65.3169.9000113.5L55 A56 K94 A95 R96 F100L55-L98 HydrophobicContact CB-CD1 3.4Å; L55-L98 HydrophobicContact CD1-CD1 4.36Å; A56-L98 HydrophobicContact CB-CD2 4.36Å; K94-L98 WeakPolarHBondContact O-CG 3.18Å; K94-L98 PolarHBondContact O-N 3.04Å; A95-L98 WeakPolarHBondContact O-CB 3.22Å; A95-L98 PolarHBondContact O-N 2.89Å; R96-L98 PolarHBondContact O-N 3.05Å; L98-F100 HydrophobicContact CB-CD2 4.13Å; L98-F100 HydrophobicContact CB-CE2 4.36Å
99G85.6Confident87.6Confident29 Ų2938.8 Ų38.830%0.29923%0.233SC..THydrogen-bonded Turntrans104.1-0.9179.700000114.8A95 R96 G97 Q101A95-G99 PolarHBondContact O-N 2.88Å; R96-G99 PolarHBondContact O-N 3.09Å; G97-G99 VanDerWaalsContact C-N 3.3Å; G99-Q101 PolarHBondContact O-N 3.26Å
100F86.1Confident87.7Confident3 Ų339.6 Ų39.61%0.01323%0.231CC..  trans-77.868.1173.8-63.7-85.6000111L55 P71 L73 L78 A95 R96 L98 K102 A103L55-F100 HydrophobicContact CB-CE2 4.16Å; L55-F100 HydrophobicContact CD2-CE2 4.01Å; L55-F100 HydrophobicContact CD2-CZ 4.17Å; P71-F100 HydrophobicContact CB-CE1 4.49Å; P71-F100 HydrophobicContact CG-CE1 3.93Å; P71-F100 WeakPolarHBondContact O-CE1 3.12Å; L73-F100 HydrophobicContact CD2-CD1 4.19Å; L73-F100 HydrophobicContact CD2-CD2 4.01Å; L73-F100 HydrophobicContact CD2-CE1 4.03Å; L73-F100 HydrophobicContact CD2-CE2 3.85Å; L73-F100 HydrophobicContact CD2-CG 4.18Å; L73-F100 HydrophobicContact CD2-CZ 3.87Å; L78-F100 HydrophobicContact CD2-CB 3.95Å; L78-F100 HydrophobicContact CD2-CD1 3.56Å; L78-F100 HydrophobicContact CD2-CE1 4.16Å; L78-F100 HydrophobicContact CD2-CG 3.78Å; A95-F100 HydrophobicContact CB-CB 4.14Å; A95-F100 HydrophobicContact CB-CD2 4.37Å; A95-F100 WeakPolarHBondContact O-CB 3.21Å; A95-F100 WeakPolarHBondContact O-CD2 3.47Å; A95-F100 PolarHBondContact O-N 3.34Å; A95-F100 VanDerWaalsContact O-N 3.08Å; R96-F100 VanDerWaalsContact CG-O 3.31Å; R96-F100 WeakPolarHBondContact CG-O 3.32Å; L98-F100 HydrophobicContact CB-CD2 4.13Å; L98-F100 HydrophobicContact CB-CE2 4.36Å; F100-K102 PolarHBondContact O-N 3.4Å; F100-A103 HydrophobicContact CB-CB 4.1Å; F100-A103 WeakPolarHBondContact O-CB 3.18Å; F100-A103 PolarHBondContact O-N 3.08Å
101Q82.7Confident87.6Confident154 Ų15440.5 Ų40.572%0.7223%0.23SC*.THydrogen-bonded Turntrans-60.9-29.4-174.6-68.4-175.78200113.1R96 G99 A103R96-Q101 PolarHBondContact NE-O 3.43Å; R96-Q101 PolarHBondContact NH2-O 3.48Å; G99-Q101 PolarHBondContact O-N 3.26Å; Q101-A103 VanDerWaalsContact C-N 3.29Å; Q101-A103 PolarHBondContact O-N 3.35Å
102K84.3Confident87.6Confident78 Ų7843.9 Ų43.934%0.33925%0.246SC..THydrogen-bonded Turntrans-88.27.3179.1-53.7-175.4-168.41650113.5D74 T75 P76 F100 V104D74-K102 VanDerWaalsContact CG-NZ 3.28Å; D74-K102 WeakPolarHBondContact O-CD 3.3Å; D74-K102 WeakPolarHBondContact O-CE 3.36Å; D74-K102 PolarHBondContact O-NZ 2.74Å; D74-K102 IonicContact OD1-NZ 3.98Å; D74-K102 PolarHBondContact OD1-NZ 3.37Å; D74-K102 IonicContact OD2-NZ 2.68Å; D74-K102 PolarHBondContact OD2-NZ 2.9Å; T75-K102 WeakPolarHBondContact O-CB 3.38Å; P76-K102 HydrophobicContact CB-CD 3.67Å; F100-K102 PolarHBondContact O-N 3.4Å; K102-V104 PolarHBondContact O-N 2.74Å
103A88.6Confident87.5Confident1 Ų144.7 Ų44.71%0.00825%0.249CC..EExtended strand (participates in β ladder)trans-62.6135171.900000110.6L78 F80 T92 A95 R96 F100 Q101L78-A103 HydrophobicContact CD2-CB 4.18Å; L78-A103 HydrophobicContact CG-CB 4.44Å; L78-A103 WeakPolarHBondContact O-CA 3.44Å; F80-A103 HydrophobicContact CD2-CB 4.31Å; F80-A103 HydrophobicContact CE2-CB 3.84Å; T92-A103 HydrophobicContact CG2-CB 4.04Å; T92-A103 WeakPolarHBondContact CG2-O 3.25Å; A95-A103 HydrophobicContact CB-CB 4Å; R96-A103 HydrophobicContact CG-CB 4.17Å; R96-A103 PolarHBondContact NE-O 3.2Å; R96-A103 VanDerWaalsContact NE-O 3.08Å; R96-A103 PolarHBondContact NH2-O 2.7Å; F100-A103 HydrophobicContact CB-CB 4.1Å; F100-A103 WeakPolarHBondContact O-CB 3.18Å; F100-A103 PolarHBondContact O-N 3.08Å; Q101-A103 VanDerWaalsContact C-N 3.29Å; Q101-A103 PolarHBondContact O-N 3.35Å
104V90.3Very high87.4Confident21 Ų2142.3 Ų42.313%0.12724%0.24CC..EExtended strand (participates in β ladder)trans-125.7159.9176.6-62.80000110.9K6 I8 L78 V79 F80 T92 K102K6-V104 CarbonylContact O-C 3.5Å; K6-V104 WeakPolarHBondContact O-CA 3.49Å; K6-V104 WeakPolarHBondContact O-CB 3.41Å; I8-V104 HydrophobicContact CD1-CG2 3.99Å; I8-V104 HydrophobicContact CG1-CG2 4.13Å; I8-V104 HydrophobicContact CG2-CB 3.87Å; I8-V104 HydrophobicContact CG2-CG1 4.09Å; I8-V104 HydrophobicContact CG2-CG2 3.82Å; L78-V104 PolarHBondContact O-N 3.41Å; V79-V104 CarbonylContact C-O 3.38Å; V79-V104 WeakPolarHBondContact CA-O 3.38Å; V79-V104 HydrophobicContact CB-CG2 4.23Å; V79-V104 HydrophobicContact CG1-CG2 4.32Å; V79-V104 HydrophobicContact CG2-CG2 3.76Å; F80-V104 PolarHBondContact N-O 3.3Å; T92-V104 PolarHBondContact OG1-O 3.39Å; K102-V104 PolarHBondContact O-N 2.74Å
105N91.8Very high87.4Confident5 Ų546.1 Ų46.13%0.02726%0.258CS..EExtended strand (participates in β ladder)trans-112.7130.7178.6173.250.8000108.2K6 D7 I8 F80 G85 G88 G89 T92 A107K6-N105 PolarHBondContact O-N 2.84Å; D7-N105 CarbonylContact C-O 3.58Å; D7-N105 VanDerWaalsContact CA-O 3.24Å; D7-N105 WeakPolarHBondContact CA-O 3.5Å; D7-N105 WeakPolarHBondContact OD1-CB 3.33Å; D7-N105 PolarHBondContact OD1-ND2 2.93Å; I8-N105 PolarHBondContact N-O 3Å; F80-N105 CarbonylContact O-C 3.4Å; F80-N105 WeakPolarHBondContact O-CA 3.48Å; F80-N105 PolarHBondContact O-OD1 3.31Å; G85-N105 PolarHBondContact O-ND2 3.33Å; G85-N105 PolarHBondContact O-OD1 3.24Å; G88-N105 WeakPolarHBondContact CA-OD1 3.49Å; G89-N105 VanDerWaalsContact N-CG 3.34Å; G89-N105 PolarHBondContact N-OD1 3.35Å; T92-N105 HydrophobicContact CG2-CB 4.47Å; T92-N105 WeakPolarHBondContact OG1-CB 3.4Å; N105-A107 PolarHBondContact O-N 3.49Å
106Y90.9Very high87.3Confident0 Ų052.2 Ų52.20%029%0.285CS..EExtended strand (participates in β ladder)trans-85.1100.7167.1174.2-137.8000109.2L13 F80 H81 G108 G109 E112 W113L13-Y106 HydrophobicContact CD2-CD1 3.59Å; L13-Y106 HydrophobicContact CD2-CD2 4.45Å; L13-Y106 HydrophobicContact CD2-CE1 3.88Å; L13-Y106 HydrophobicContact CD2-CG 3.91Å; F80-Y106 PolarHBondContact O-N 3.39Å; H81-Y106 HydrophobicContact CB-CD1 3.86Å; H81-Y106 HydrophobicContact CB-CG 4.36Å; Y106-G108 VanDerWaalsContact C-N 3.3Å; Y106-G108 PolarHBondContact O-N 2.79Å; Y106-G109 WeakPolarHBondContact CE1-O 3.44Å; Y106-G109 PolarHBondContact O-N 3.25Å; Y106-E112 WeakPolarHBondContact CE2-OE1 3.37Å; Y106-E112 WeakPolarHBondContact OH-CB 3.31Å; Y106-E112 PolarHBondContact OH-OE1 3.44Å; Y106-W113 HydrophobicContact CE1-CB 4.26Å
107A85.3Confident86.9Confident51 Ų5153.1 Ų53.142%0.42129%0.292SS..THydrogen-bonded Turntrans-67.1-28.7-175.100000113.4D7 G85 N105 G109D7-A107 HydrophobicContact CB-CB 4.34Å; G85-A107 WeakPolarHBondContact CA-O 3.49Å; N105-A107 PolarHBondContact O-N 3.49Å; A107-G109 PolarHBondContact O-N 3.29Å
108G83.2Confident85.5Confident20 Ų2055.1 Ų55.121%0.20631%0.313CS..THydrogen-bonded Turntrans-66.2-25.8176.200000113.4Y106 E112Y106-G108 VanDerWaalsContact C-N 3.3Å; Y106-G108 PolarHBondContact O-N 2.79Å; G108-E112 WeakPolarHBondContact CA-OE1 3.5Å; G108-E112 WeakPolarHBondContact O-CB 2.97Å; G108-E112 PolarHBondContact O-N 3.1Å
109G87.7Confident85.5Confident0 Ų054.6 Ų54.60%031%0.311CS..Hα-helixtrans62.8-178.4179.900000113.8C82 Y106 A107 Q111 E112 W113C82-G109 CarbonylContact O-C 3.6Å; C82-G109 WeakPolarHBondContact O-CA 3.37Å; Y106-G109 WeakPolarHBondContact CE1-O 3.44Å; Y106-G109 PolarHBondContact O-N 3.25Å; A107-G109 PolarHBondContact O-N 3.29Å; G109-Q111 PolarHBondContact O-N 2.89Å; G109-E112 PolarHBondContact O-N 3.19Å; G109-W113 PolarHBondContact O-N 3.46Å
110Y88.3Confident85.5Confident33 Ų3355.9 Ų55.913%0.12931%0.312CS..Hα-helixtrans-64.3-27-179.9-176.8-98.2000112.5G38 I40 C82 Q83 W113 S114G38-Y110 VanDerWaalsContact CA-OH 3.26Å; G38-Y110 WeakPolarHBondContact CA-OH 3.47Å; G38-Y110 WeakPolarHBondContact O-CE2 3.42Å; G38-Y110 VanDerWaalsContact O-CZ 3.22Å; G38-Y110 PolarHBondContact O-OH 3.09Å; I40-Y110 HydrophobicContact CG1-CD2 4.08Å; C82-Y110 PolarHBondContact O-N 2.89Å; Q83-Y110 PolarHBondContact O-N 3.01Å; Y110-W113 PolarHBondContact O-N 2.86Å; Y110-S114 VanDerWaalsContact O-CB 3.25Å; Y110-S114 WeakPolarHBondContact O-CB 3.28Å; Y110-S114 PolarHBondContact O-N 3.29Å
111Q87.7Confident85.5Confident93 Ų9358.9 Ų58.944%0.43533%0.329SS..Hα-helixtrans-60-53.4177.9-167.4-169-60.800111.2Q83 G109 W113 S114 E115Q83-Q111 WeakPolarHBondContact O-CB 3.42Å; Q83-Q111 PolarHBondContact O-N 3.13Å; Q83-Q111 VanDerWaalsContact O-N 3.13Å; G109-Q111 PolarHBondContact O-N 2.89Å; Q111-W113 VanDerWaalsContact C-N 3.31Å; Q111-W113 PolarHBondContact O-N 3.06Å; Q111-S114 PolarHBondContact O-N 3.43Å; Q111-E115 PolarHBondContact NE2-OE2 2.94Å; Q111-E115 WeakPolarHBondContact O-CG 3.19Å; Q111-E115 PolarHBondContact O-N 3.05Å
112E89.9Confident85.7Confident72 Ų7253.3 Ų53.334%0.33631%0.306SS..Hα-helixtrans-63.1-39.3177.8-178.6-179.377.200111.4Y10 Y106 G108 G109 E115 K116Y10-E112 WeakPolarHBondContact CB-OE1 3.29Å; Y106-E112 WeakPolarHBondContact CE2-OE1 3.37Å; Y106-E112 WeakPolarHBondContact OH-CB 3.31Å; Y106-E112 PolarHBondContact OH-OE1 3.44Å; G108-E112 WeakPolarHBondContact CA-OE1 3.5Å; G108-E112 WeakPolarHBondContact O-CB 2.97Å; G108-E112 PolarHBondContact O-N 3.1Å; G109-E112 PolarHBondContact O-N 3.19Å; E112-E115 PolarHBondContact O-N 3.26Å; E112-K116 WeakPolarHBondContact O-CG 3.44Å; E112-K116 PolarHBondContact O-N 3.29Å; E112-K116 VanDerWaalsContact O-N 3.13Å
113W88.5Confident85.7Confident16 Ų1651.8 Ų51.86%0.06130%0.304CS..Hα-helixtrans-58.3-49.2174.2-179.4-87.6000111.9Y10 L13 L17 I40 P41 Y106 G109 Y110 Q111 E115 K116 E117Y10-W113 AromaticContact CD2-CE3 3.8Å; Y10-W113 HydrophobicContact CD2-CE3 3.8Å; Y10-W113 HydrophobicContact CD2-CZ3 4.15Å; Y10-W113 HydrophobicContact CE2-CD2 4.48Å; Y10-W113 AromaticContact CE2-CE3 3.73Å; Y10-W113 HydrophobicContact CE2-CE3 3.73Å; Y10-W113 AromaticContact CE2-CZ3 3.86Å; Y10-W113 HydrophobicContact CE2-CZ3 3.86Å; L13-W113 HydrophobicContact CD2-CE3 3.99Å; L13-W113 HydrophobicContact CD2-CZ3 4.13Å; L13-W113 HydrophobicContact CG-CZ3 4.24Å; L17-W113 HydrophobicContact CD1-CH2 3.26Å; L17-W113 HydrophobicContact CD1-CZ2 4.1Å; L17-W113 HydrophobicContact CD1-CZ3 3.64Å; I40-W113 HydrophobicContact CD1-CB 4.38Å; I40-W113 HydrophobicContact CD1-CD2 4Å; I40-W113 HydrophobicContact CD1-CE3 4.27Å; I40-W113 HydrophobicContact CD1-CG 4.03Å; I40-W113 HydrophobicContact CG1-CD2 4.01Å; I40-W113 HydrophobicContact CG1-CG 3.91Å; I40-W113 HydrophobicContact CG2-CD2 4.38Å; I40-W113 HydrophobicContact CG2-CH2 4.29Å; I40-W113 HydrophobicContact CG2-CZ2 3.94Å; P41-W113 HydrophobicContact CG-CZ2 4.46Å; Y106-W113 HydrophobicContact CE1-CB 4.26Å; G109-W113 PolarHBondContact O-N 3.46Å; Y110-W113 PolarHBondContact O-N 2.86Å; Q111-W113 VanDerWaalsContact C-N 3.31Å; Q111-W113 PolarHBondContact O-N 3.06Å; W113-E115 VanDerWaalsContact C-N 3.29Å; W113-E115 PolarHBondContact O-N 3.21Å; W113-K116 PolarHBondContact O-N 3.13Å; W113-K116 VanDerWaalsContact O-N 3.12Å; W113-E117 HydrophobicContact CD2-CG 4.11Å; W113-E117 HydrophobicContact CE3-CG 4.46Å; W113-E117 HydrophobicContact CH2-CG 4.12Å; W113-E117 HydrophobicContact CZ2-CB 4.34Å; W113-E117 HydrophobicContact CZ2-CG 3.76Å; W113-E117 HydrophobicContact CZ3-CG 4.47Å; W113-E117 WeakPolarHBondContact O-CB 3.4Å; W113-E117 PolarHBondContact O-N 3.02Å
114S86.8Confident85.6Confident46 Ų4655.1 Ų55.132%0.32232%0.323SS..Hα-helixtrans-67.3-28.1-179.5-170.80000112.6Y110 Q111 K116 G118Y110-S114 VanDerWaalsContact O-CB 3.25Å; Y110-S114 WeakPolarHBondContact O-CB 3.28Å; Y110-S114 PolarHBondContact O-N 3.29Å; Q111-S114 PolarHBondContact O-N 3.43Å; S114-K116 VanDerWaalsContact C-N 3.33Å; S114-G118 WeakPolarHBondContact O-CA 3.45Å; S114-G118 PolarHBondContact O-N 2.72Å
115E88.4Confident85.2Confident139 Ų13957.6 Ų57.665%0.6534%0.337SS*.Hα-helixtrans-74.6-25.3173.6-72.2178.477.400112.4Q111 E112 W113Q111-E115 PolarHBondContact NE2-OE2 2.94Å; Q111-E115 WeakPolarHBondContact O-CG 3.19Å; Q111-E115 PolarHBondContact O-N 3.05Å; E112-E115 PolarHBondContact O-N 3.26Å; W113-E115 VanDerWaalsContact C-N 3.29Å; W113-E115 PolarHBondContact O-N 3.21Å
116K86.6Confident84.7Confident129 Ų12961.6 Ų61.656%0.56136%0.361SS*.Hα-helixtrans-93.7-36-178.8-66.6-75.6-175.1-177.80113.5Y10 E112 W113 S114Y10-K116 HydrophobicContact CD1-CG 4.44Å; Y10-K116 HydrophobicContact CD2-CB 4.28Å; Y10-K116 HydrophobicContact CD2-CG 4.22Å; Y10-K116 HydrophobicContact CE1-CB 4.31Å; Y10-K116 HydrophobicContact CE1-CD 4.33Å; Y10-K116 HydrophobicContact CE1-CG 4.22Å; Y10-K116 HydrophobicContact CE2-CB 3.6Å; Y10-K116 HydrophobicContact CE2-CG 4Å; Y10-K116 HydrophobicContact CG-CG 4.43Å; E112-K116 WeakPolarHBondContact O-CG 3.44Å; E112-K116 PolarHBondContact O-N 3.29Å; E112-K116 VanDerWaalsContact O-N 3.13Å; W113-K116 PolarHBondContact O-N 3.13Å; W113-K116 VanDerWaalsContact O-N 3.12Å; S114-K116 VanDerWaalsContact C-N 3.33Å
117E80.8Confident84.2Confident90 Ų9066.8 Ų66.842%0.42139%0.391SS..Hα-helixtrans-118.5-9.3-171.5-60.5-75.6122.400113.7Y10 K14 W113Y10-E117 HydrophobicContact CE2-CG 4.04Å; Y10-E117 PolarHBondContact OH-OE1 3.3Å; K14-E117 IonicContact NZ-OE1 2.98Å; K14-E117 PolarHBondContact NZ-OE1 2.86Å; W113-E117 HydrophobicContact CD2-CG 4.11Å; W113-E117 HydrophobicContact CE3-CG 4.46Å; W113-E117 HydrophobicContact CH2-CG 4.12Å; W113-E117 HydrophobicContact CZ2-CB 4.34Å; W113-E117 HydrophobicContact CZ2-CG 3.76Å; W113-E117 HydrophobicContact CZ3-CG 4.47Å; W113-E117 WeakPolarHBondContact O-CB 3.4Å; W113-E117 PolarHBondContact O-N 3.02Å
118G57.3Low84.1Confident112 Ų11268.2 Ų68.2100%1.15539%0.389SS*.  trans-840173.600000112.4S114S114-G118 WeakPolarHBondContact O-CA 3.45Å; S114-G118 PolarHBondContact O-N 2.72Å

Retrieved 118 of 118 residues in 32.5 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).