CABP_SCHMA Loading...

Calcium-binding protein

AlphaFold DB , UniProt , Accession P13566, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 69 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
1M54.4Low75.9Confident216 Ų21688.1 Ų88.1100%1.06444%0.44SS*.  094.20-91.1174.6142.700107
2V59.4Low76.4Confident43 Ų4394.4 Ų94.426%0.26146%0.462SS..  trans-78.6127.6168.9178.10000107.1E6 L64 L67V2-E6 VanDerWaalsContact CA-OE2 3.28Å; V2-E6 WeakPolarHBondContact CA-OE2 3.36Å; V2-E6 HydrophobicContact CG1-CB 3.76Å; V2-E6 HydrophobicContact CG1-CG 4.41Å; V2-L64 HydrophobicContact CG1-CD2 4.49Å; V2-L67 HydrophobicContact CB-CB 4.03Å; V2-L67 HydrophobicContact CG1-CB 3.73Å; V2-L67 HydrophobicContact CG1-CD1 3.83Å; V2-L67 HydrophobicContact CG1-CG 4.41Å; V2-L67 HydrophobicContact CG2-CB 4.02Å; V2-L67 WeakPolarHBondContact CG2-O 3.11Å
3N75Confident76.8Confident93 Ų9397.2 Ų97.250%0.49747%0.474SS..  trans-94158-174.8-69.3-70.8000111.5T5 E6 A7 L64N3-T5 PolarHBondContact O-N 2.73Å; N3-E6 PolarHBondContact N-OE2 3.49Å; N3-E6 PolarHBondContact O-N 3.02Å; N3-A7 PolarHBondContact O-N 3.27Å; N3-L64 WeakPolarHBondContact O-CD2 3.18Å
4R77.8Confident77Confident201 Ų20192 Ų9276%0.75845%0.449SS*.Hα-helixtrans-45.2-31.1167.2-72.6-174-70.6-100.3-0.1112.8A8 L64R4-A8 WeakPolarHBondContact O-CB 3.49Å; R4-A8 PolarHBondContact O-N 2.83Å; R4-L64 HydrophobicContact CB-CD1 4.47Å; R4-L64 HydrophobicContact CG-CD1 3.71Å
5T82Confident77.4Confident96 Ų9686.7 Ų86.759%0.58942%0.423SS*.Hα-helixtrans-60.6-45.5175.5-47.20000112.7N3 A8 Q9N3-T5 PolarHBondContact O-N 2.73Å; T5-A8 PolarHBondContact O-N 3.26Å; T5-Q9 WeakPolarHBondContact O-CG 3.47Å; T5-Q9 PolarHBondContact O-N 2.92Å
6E80.8Confident77.3Confident88 Ų8891.2 Ų91.241%0.41143%0.434SS..Hα-helixtrans-69.5-44.8-178.1-71.3164.895.800110.9V2 N3 A8 Q9 L10V2-E6 VanDerWaalsContact CA-OE2 3.28Å; V2-E6 WeakPolarHBondContact CA-OE2 3.36Å; V2-E6 HydrophobicContact CG1-CB 3.76Å; V2-E6 HydrophobicContact CG1-CG 4.41Å; N3-E6 PolarHBondContact N-OE2 3.49Å; N3-E6 PolarHBondContact O-N 3.02Å; E6-A8 VanDerWaalsContact C-N 3.29Å; E6-A8 PolarHBondContact O-N 3.33Å; E6-Q9 PolarHBondContact O-N 3.16Å; E6-Q9 VanDerWaalsContact O-N 3.14Å; E6-L10 PolarHBondContact O-N 3.01Å
7A80.1Confident77.6Confident0 Ų093.6 Ų93.60%045%0.45CS..Hα-helixtrans-58.5-42.4171.600000111.4N3 Q9 L10 L11 T60 L63 L64N3-A7 PolarHBondContact O-N 3.27Å; A7-Q9 VanDerWaalsContact C-N 3.34Å; A7-Q9 PolarHBondContact O-N 2.81Å; A7-L10 PolarHBondContact O-N 3.1Å; A7-L11 WeakPolarHBondContact O-CB 3.46Å; A7-L11 WeakPolarHBondContact O-CD1 3.5Å; A7-L11 VanDerWaalsContact O-CG 3.23Å; A7-L11 WeakPolarHBondContact O-CG 3.41Å; A7-L11 PolarHBondContact O-N 3.47Å; A7-T60 HydrophobicContact CB-CG2 4.1Å; A7-L63 HydrophobicContact CB-CB 4.45Å; A7-L63 HydrophobicContact CB-CD2 4.1Å; A7-L63 HydrophobicContact CB-CG 4.33Å; A7-L64 HydrophobicContact CB-CD1 4.42Å; A7-L64 HydrophobicContact CB-CD2 3.53Å; A7-L64 HydrophobicContact CB-CG 3.62Å
8A81Confident77.4Confident35 Ų3598.6 Ų98.629%0.28947%0.47SS..Hα-helixtrans-65.8-32.4176.200000113.6R4 T5 E6 K12R4-A8 WeakPolarHBondContact O-CB 3.49Å; R4-A8 PolarHBondContact O-N 2.83Å; T5-A8 PolarHBondContact O-N 3.26Å; E6-A8 VanDerWaalsContact C-N 3.29Å; E6-A8 PolarHBondContact O-N 3.33Å; A8-K12 VanDerWaalsContact O-CG 3.27Å; A8-K12 WeakPolarHBondContact O-CG 3.43Å; A8-K12 PolarHBondContact O-N 3.48Å
9Q82.6Confident77.6Confident115 Ų11596.7 Ų96.754%0.53747%0.468SS..Hα-helixtrans-68.6-45.3173.5-70.3-63.2-74.800111T5 E6 A7 K12 H13T5-Q9 WeakPolarHBondContact O-CG 3.47Å; T5-Q9 PolarHBondContact O-N 2.92Å; E6-Q9 PolarHBondContact O-N 3.16Å; E6-Q9 VanDerWaalsContact O-N 3.14Å; A7-Q9 VanDerWaalsContact C-N 3.34Å; A7-Q9 PolarHBondContact O-N 2.81Å; Q9-K12 PolarHBondContact O-N 3.39Å; Q9-H13 PolarHBondContact O-N 2.85Å; Q9-H13 VanDerWaalsContact O-N 3.13Å
10L80Confident77.8Confident71 Ų7193.5 Ų93.537%0.37246%0.461SS..Hα-helixtrans-62.1-43.9176.5-73.7172.8000111.5E6 A7 H13 L14 L63 L67E6-L10 PolarHBondContact O-N 3.01Å; A7-L10 PolarHBondContact O-N 3.1Å; L10-H13 PolarHBondContact O-N 2.95Å; L10-H13 VanDerWaalsContact O-N 3.11Å; L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 WeakPolarHBondContact O-CG 3.35Å; L10-L14 PolarHBondContact O-N 3.1Å; L10-L63 HydrophobicContact CB-CD2 3.79Å; L10-L63 HydrophobicContact CD1-CD2 4.17Å; L10-L67 HydrophobicContact CD1-CD1 3.62Å
11L82.3Confident78Confident11 Ų1192.1 Ų92.16%0.05845%0.453CS..Hα-helixtrans-55.9-53172.6-76163.4000110.8A7 H13 L14 D15 I22 T60 L63A7-L11 WeakPolarHBondContact O-CB 3.46Å; A7-L11 WeakPolarHBondContact O-CD1 3.5Å; A7-L11 VanDerWaalsContact O-CG 3.23Å; A7-L11 WeakPolarHBondContact O-CG 3.41Å; A7-L11 PolarHBondContact O-N 3.47Å; L11-H13 PolarHBondContact O-N 2.78Å; L11-L14 PolarHBondContact O-N 3.25Å; L11-L14 VanDerWaalsContact O-N 3.07Å; L11-D15 WeakPolarHBondContact O-CA 3.21Å; L11-D15 WeakPolarHBondContact O-CB 3.49Å; L11-D15 PolarHBondContact O-N 3.22Å; L11-I22 HydrophobicContact CD2-CD1 3.69Å; L11-I22 HydrophobicContact CD2-CG1 3.45Å; L11-I22 VanDerWaalsContact CD2-CG1 3.45Å; L11-I22 HydrophobicContact CG-CD1 4.37Å; L11-T60 HydrophobicContact CD1-CG2 3.71Å; L11-T60 WeakPolarHBondContact CD1-OG1 3.23Å; L11-L63 HydrophobicContact CG-CD2 4.15Å
12K81.8Confident79.5Confident164 Ų16482 Ų8271%0.71340%0.403SS*.Hα-helixtrans-58.1-24.7178.3-75174.8-178.1-174.60114.6A8 Q9A8-K12 VanDerWaalsContact O-CG 3.27Å; A8-K12 WeakPolarHBondContact O-CG 3.43Å; A8-K12 PolarHBondContact O-N 3.48Å; Q9-K12 PolarHBondContact O-N 3.39Å
13H80.9Confident80.6Confident131 Ų13180.9 Ų80.961%0.60640%0.397SS*.Hα-helixtrans-85.3-33.8179-161.970.8000112.6Q9 L10 L11 F30Q9-H13 PolarHBondContact O-N 2.85Å; Q9-H13 VanDerWaalsContact O-N 3.13Å; L10-H13 PolarHBondContact O-N 2.95Å; L10-H13 VanDerWaalsContact O-N 3.11Å; L11-H13 PolarHBondContact O-N 2.78Å; H13-F30 AromaticContact CD2-CE2 3.57Å; H13-F30 AromaticContact NE2-CE2 3.53Å
14L79.6Confident80.9Confident24 Ų2478.1 Ų78.113%0.12639%0.385CS..Hα-helixtrans-97.4-44.8-175.4-65.9169.7000112.7L10 L11 R16 I22 F30L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 WeakPolarHBondContact O-CG 3.35Å; L10-L14 PolarHBondContact O-N 3.1Å; L11-L14 PolarHBondContact O-N 3.25Å; L11-L14 VanDerWaalsContact O-N 3.07Å; L14-R16 PolarHBondContact O-N 3.3Å; L14-R16 VanDerWaalsContact O-N 3.15Å; L14-I22 HydrophobicContact CB-CD1 3.92Å; L14-I22 HydrophobicContact CB-CG1 4.13Å; L14-I22 HydrophobicContact CB-CG2 4.23Å; L14-I22 HydrophobicContact CD1-CD1 3.7Å; L14-I22 HydrophobicContact CG-CD1 4.45Å; L14-F30 HydrophobicContact CD2-CB 3.6Å; L14-F30 HydrophobicContact CD2-CD1 3.55Å; L14-F30 HydrophobicContact CD2-CD2 3.57Å; L14-F30 HydrophobicContact CD2-CE1 4.08Å; L14-F30 HydrophobicContact CD2-CE2 4.11Å; L14-F30 HydrophobicContact CD2-CG 3.26Å; L14-F30 HydrophobicContact CD2-CZ 4.33Å
15D82.9Confident81.2Confident13 Ų1375.2 Ų75.27%0.0738%0.38CS..  trans-74.493.7176.8179.916.5000110L11 D17 K18 S19 G20 E26L11-D15 WeakPolarHBondContact O-CA 3.21Å; L11-D15 WeakPolarHBondContact O-CB 3.49Å; L11-D15 PolarHBondContact O-N 3.22Å; D15-D17 PolarHBondContact OD1-N 3.31Å; D15-K18 WeakPolarHBondContact OD1-CA 3.31Å; D15-K18 PolarHBondContact OD1-N 3.32Å; D15-K18 VanDerWaalsContact OD2-C 3.27Å; D15-K18 WeakPolarHBondContact OD2-CA 3.28Å; D15-S19 PolarHBondContact OD1-N 2.91Å; D15-S19 PolarHBondContact OD1-OG 3.01Å; D15-S19 PolarHBondContact OD2-N 3.46Å; D15-G20 WeakPolarHBondContact OD2-CA 3.36Å; D15-G20 PolarHBondContact OD2-N 3.22Å; D15-E26 VanDerWaalsContact CA-OE1 3.28Å; D15-E26 WeakPolarHBondContact CA-OE1 3.31Å
16R77Confident81.3Confident158 Ų15871.6 Ų71.660%0.59636%0.356SS*.SBendtrans-78.2-32.4177.7-78.1-174.9175.4173.41.7111.2L14 K18 E26 E29L14-R16 PolarHBondContact O-N 3.3Å; L14-R16 VanDerWaalsContact O-N 3.15Å; R16-K18 PolarHBondContact O-N 2.8Å; R16-E26 PolarHBondContact N-OE1 3.44Å; R16-E29 IonicContact NH1-OE1 3.81Å; R16-E29 IonicContact NH1-OE2 2.69Å
17D81.2Confident81.3Confident132 Ų13268.4 Ų68.471%0.70634%0.342SS*.SBendtrans-77.8-13.1-178.5-160.5-114.7000112.5D15 S19 E26D15-D17 PolarHBondContact OD1-N 3.31Å; D17-S19 PolarHBondContact O-N 3.26Å; D17-E26 PolarHBondContact N-OE1 3.38Å
18K75.1Confident81.4Confident184 Ų18470.8 Ų70.880%0.835%0.354SS*.  trans58.734.2-173.3-54.7-179.7-177.9175.90111.7D15 R16 G20D15-K18 WeakPolarHBondContact OD1-CA 3.31Å; D15-K18 PolarHBondContact OD1-N 3.32Å; D15-K18 VanDerWaalsContact OD2-C 3.27Å; D15-K18 WeakPolarHBondContact OD2-CA 3.28Å; R16-K18 PolarHBondContact O-N 2.8Å; K18-G20 PolarHBondContact O-N 3.45Å
19S80.8Confident81.4Confident62 Ų6273.8 Ų73.843%0.43436%0.362SS..  trans-69.3-20.4177.174.50000111.9D15 D17 K21D15-S19 PolarHBondContact OD1-N 2.91Å; D15-S19 PolarHBondContact OD1-OG 3.01Å; D15-S19 PolarHBondContact OD2-N 3.46Å; D17-S19 PolarHBondContact O-N 3.26Å; S19-K21 VanDerWaalsContact C-N 3.29Å; S19-K21 PolarHBondContact OG-N 2.78Å; S19-K21 VanDerWaalsContact OG-N 3.12Å; S19-K21 PolarHBondContact OG-O 2.9Å
20G80.5Confident81.3Confident33 Ų3371.4 Ų71.434%0.3435%0.35SS..SBendtrans83.93.3-171.500000113.5D15 K18D15-G20 WeakPolarHBondContact OD2-CA 3.36Å; D15-G20 PolarHBondContact OD2-N 3.22Å; K18-G20 PolarHBondContact O-N 3.45Å
21K83.5Confident81.3Confident64 Ų6469.3 Ų69.328%0.27834%0.339SS..EExtended strand (participates in β ladder)trans-130.2154.5176.1-60.3-172.3169.4-153.20109.2S19 D53 D55 Q57 L58 N59S19-K21 VanDerWaalsContact C-N 3.29Å; S19-K21 PolarHBondContact OG-N 2.78Å; S19-K21 VanDerWaalsContact OG-N 3.12Å; S19-K21 PolarHBondContact OG-O 2.9Å; K21-D53 IonicContact NZ-OD2 2.81Å; K21-D55 IonicContact NZ-OD2 2.67Å; K21-D55 PolarHBondContact NZ-OD2 3.37Å; K21-Q57 HydrophobicContact CB-CB 4.1Å; K21-Q57 HydrophobicContact CD-CB 4.31Å; K21-L58 CarbonylContact C-O 3.54Å; K21-L58 WeakPolarHBondContact CA-O 3.2Å; K21-N59 HydrophobicContact CD-CB 4.48Å; K21-N59 HydrophobicContact CG-CB 4.02Å
22I85.1Confident81.2Confident4 Ų475.1 Ų75.12%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-105.3107175.5-57.2169.6000107.5L11 L14 E26 L27 Q57 L58 L63L11-I22 HydrophobicContact CD2-CD1 3.69Å; L11-I22 HydrophobicContact CD2-CG1 3.45Å; L11-I22 VanDerWaalsContact CD2-CG1 3.45Å; L11-I22 HydrophobicContact CG-CD1 4.37Å; L14-I22 HydrophobicContact CB-CD1 3.92Å; L14-I22 HydrophobicContact CB-CG1 4.13Å; L14-I22 HydrophobicContact CB-CG2 4.23Å; L14-I22 HydrophobicContact CD1-CD1 3.7Å; L14-I22 HydrophobicContact CG-CD1 4.45Å; I22-E26 WeakPolarHBondContact CA-OE2 3.41Å; I22-E26 HydrophobicContact CG2-CB 4.36Å; I22-L27 HydrophobicContact CG2-CB 4.22Å; I22-Q57 CarbonylContact O-C 3.44Å; I22-Q57 WeakPolarHBondContact O-CA 3.21Å; I22-L58 HydrophobicContact CB-CB 4.34Å; I22-L58 PolarHBondContact N-O 3.4Å; I22-L58 PolarHBondContact O-N 3Å; I22-L63 HydrophobicContact CD1-CD2 4.16Å
23S83.4Confident81Confident20 Ų2071.9 Ų71.914%0.1436%0.359CS..EExtended strand (participates in β ladder)trans-75.1157.7175.7-172.70000112Q25 E26 L27S23-Q25 PolarHBondContact O-N 2.88Å; S23-Q25 VanDerWaalsContact O-N 3.12Å; S23-E26 PolarHBondContact N-OE2 2.87Å; S23-E26 PolarHBondContact O-N 3.01Å; S23-L27 PolarHBondContact O-N 2.89Å
24S81.3Confident80.9Confident34 Ų3469.5 Ų69.524%0.23835%0.354CS..Hα-helixtrans-52.7-30.6169.463.40000114.5M28 G56S24-M28 WeakPolarHBondContact O-CB 3.43Å; S24-M28 PolarHBondContact O-N 3.21Å; S24-G56 PolarHBondContact N-O 3.06Å
25Q82.7Confident80.8Confident140 Ų14075.4 Ų75.465%0.65439%0.386SS*.Hα-helixtrans-69-44.3174.5-63.9-177.6-94.900111.6S23 M28 E29S23-Q25 PolarHBondContact O-N 2.88Å; S23-Q25 VanDerWaalsContact O-N 3.12Å; Q25-M28 CarbonylContact O-C 3.55Å; Q25-M28 WeakPolarHBondContact O-CB 3.26Å; Q25-M28 PolarHBondContact O-N 2.95Å; Q25-E29 WeakPolarHBondContact O-CG 3.44Å; Q25-E29 PolarHBondContact O-N 2.98Å
26E84.2Confident80.3Confident20 Ų2077.2 Ų77.29%0.09340%0.399CS..Hα-helixtrans-68.5-40.7-179.3-65.4-177.9113.800111.8D15 R16 D17 I22 S23 M28 E29 F30D15-E26 VanDerWaalsContact CA-OE1 3.28Å; D15-E26 WeakPolarHBondContact CA-OE1 3.31Å; R16-E26 PolarHBondContact N-OE1 3.44Å; D17-E26 PolarHBondContact N-OE1 3.38Å; I22-E26 WeakPolarHBondContact CA-OE2 3.41Å; I22-E26 HydrophobicContact CG2-CB 4.36Å; S23-E26 PolarHBondContact N-OE2 2.87Å; S23-E26 PolarHBondContact O-N 3.01Å; E26-M28 VanDerWaalsContact C-N 3.3Å; E26-M28 PolarHBondContact O-N 3.34Å; E26-E29 PolarHBondContact O-N 3.15Å; E26-F30 WeakPolarHBondContact O-CB 3.47Å; E26-F30 PolarHBondContact O-N 3.03Å
27L81.4Confident79.7Confident22 Ų2275.6 Ų75.612%0.11541%0.409CS..Hα-helixtrans-62.8-40.5172.6-17162.3000111I22 S23 F30 L31 V43 F46 I47I22-L27 HydrophobicContact CG2-CB 4.22Å; S23-L27 PolarHBondContact O-N 2.89Å; L27-F30 PolarHBondContact O-N 3.44Å; L27-L31 HydrophobicContact CG-CD1 4.21Å; L27-L31 WeakPolarHBondContact O-CB 3.16Å; L27-L31 WeakPolarHBondContact O-CG 3.33Å; L27-L31 PolarHBondContact O-N 2.88Å; L27-V43 HydrophobicContact CB-CG1 4.15Å; L27-V43 HydrophobicContact CD2-CG1 3.75Å; L27-V43 HydrophobicContact CG-CG1 3.94Å; L27-F46 HydrophobicContact CD2-CD1 3.91Å; L27-F46 HydrophobicContact CD2-CE1 4.41Å; L27-I47 HydrophobicContact CB-CD1 4.42Å; L27-I47 HydrophobicContact CD2-CD1 3.94Å; L27-I47 HydrophobicContact CD2-CG1 3.84Å
28M81.5Confident79.2Confident49 Ų4974.1 Ų74.124%0.24140%0.396CS..Hα-helixtrans-64.2-43.5175-174.9-173.4-58.700112.2S24 Q25 E26 F30 L31 H32 K40S24-M28 WeakPolarHBondContact O-CB 3.43Å; S24-M28 PolarHBondContact O-N 3.21Å; Q25-M28 CarbonylContact O-C 3.55Å; Q25-M28 WeakPolarHBondContact O-CB 3.26Å; Q25-M28 PolarHBondContact O-N 2.95Å; E26-M28 VanDerWaalsContact C-N 3.3Å; E26-M28 PolarHBondContact O-N 3.34Å; M28-F30 VanDerWaalsContact C-N 3.32Å; M28-F30 PolarHBondContact O-N 3.12Å; M28-L31 PolarHBondContact O-N 3.01Å; M28-H32 WeakPolarHBondContact O-CB 3.21Å; M28-H32 PolarHBondContact O-CD2 2.83Å; M28-H32 VanDerWaalsContact O-CD2 3.26Å; M28-H32 PolarHBondContact O-N 3.47Å; M28-K40 HydrophobicContact CE-CB 3.96Å; M28-K40 HydrophobicContact CE-CD 3.83Å; M28-K40 HydrophobicContact CE-CG 3.54Å
29E82.6Confident79.4Confident99 Ų9972.8 Ų72.846%0.46339%0.39SS..Hα-helixtrans-61.5-40.8176-74.8-150.4101.500111.7R16 Q25 E26 H32 T33R16-E29 IonicContact NH1-OE1 3.81Å; R16-E29 IonicContact NH1-OE2 2.69Å; Q25-E29 WeakPolarHBondContact O-CG 3.44Å; Q25-E29 PolarHBondContact O-N 2.98Å; E26-E29 PolarHBondContact O-N 3.15Å; E29-H32 PolarHBondContact O-N 2.7Å; E29-T33 WeakPolarHBondContact O-CB 3.47Å; E29-T33 PolarHBondContact O-N 3.37Å; E29-T33 PolarHBondContact O-OG1 2.77Å
30F79.1Confident79.3Confident65 Ų6575.7 Ų75.729%0.28540%0.395SS..Hα-helixtrans-62.1-48.4173.9-179.8-102.5000111.2H13 L14 E26 L27 M28 H32 T33 V34H13-F30 AromaticContact CD2-CE2 3.57Å; H13-F30 AromaticContact NE2-CE2 3.53Å; L14-F30 HydrophobicContact CD2-CB 3.6Å; L14-F30 HydrophobicContact CD2-CD1 3.55Å; L14-F30 HydrophobicContact CD2-CD2 3.57Å; L14-F30 HydrophobicContact CD2-CE1 4.08Å; L14-F30 HydrophobicContact CD2-CE2 4.11Å; L14-F30 HydrophobicContact CD2-CG 3.26Å; L14-F30 HydrophobicContact CD2-CZ 4.33Å; E26-F30 WeakPolarHBondContact O-CB 3.47Å; E26-F30 PolarHBondContact O-N 3.03Å; L27-F30 PolarHBondContact O-N 3.44Å; M28-F30 VanDerWaalsContact C-N 3.32Å; M28-F30 PolarHBondContact O-N 3.12Å; F30-H32 VanDerWaalsContact C-N 3.32Å; F30-H32 PolarHBondContact O-N 2.8Å; F30-T33 CarbonylContact O-C 3.59Å; F30-T33 WeakPolarHBondContact O-CA 3.34Å; F30-T33 VanDerWaalsContact O-CB 3.31Å; F30-T33 WeakPolarHBondContact O-CB 3.09Å; F30-T33 PolarHBondContact O-N 3.24Å; F30-V34 HydrophobicContact CD1-CG2 4.14Å; F30-V34 HydrophobicContact CE1-CG2 3.73Å; F30-V34 HydrophobicContact CE2-CG2 4.13Å; F30-V34 HydrophobicContact CZ-CG2 3.73Å; F30-V34 WeakPolarHBondContact O-CG2 3.49Å; F30-V34 PolarHBondContact O-N 2.98Å
31L80Confident79.4Confident27 Ų2779.6 Ų79.614%0.14141%0.405CS..Hα-helixtrans-63.7-37179.3-69169.3000112.7L27 M28 T33 V34 N35 C36 F38 V43L27-L31 HydrophobicContact CG-CD1 4.21Å; L27-L31 WeakPolarHBondContact O-CB 3.16Å; L27-L31 WeakPolarHBondContact O-CG 3.33Å; L27-L31 PolarHBondContact O-N 2.88Å; M28-L31 PolarHBondContact O-N 3.01Å; L31-T33 VanDerWaalsContact C-N 3.33Å; L31-V34 PolarHBondContact O-N 2.77Å; L31-N35 PolarHBondContact O-N 2.91Å; L31-C36 PolarHBondContact O-N 2.89Å; L31-F38 HydrophobicContact CD1-CB 3.96Å; L31-F38 HydrophobicContact CD1-CD2 4.43Å; L31-F38 HydrophobicContact CD1-CG 4.23Å; L31-F38 HydrophobicContact CD2-CD2 3.67Å; L31-F38 HydrophobicContact CD2-CE2 4.05Å; L31-F38 HydrophobicContact CD2-CG 4.28Å; L31-V43 HydrophobicContact CD1-CB 4.38Å; L31-V43 HydrophobicContact CD1-CG1 4.2Å; L31-V43 HydrophobicContact CD1-CG2 3.34Å
32H80.3Confident79.4Confident133 Ų13381 Ų8162%0.61641%0.412SS*.Hα-helixtrans-61.4-41.9170.1-82.2-149.1000111.4M28 E29 F30 V34 N35M28-H32 WeakPolarHBondContact O-CB 3.21Å; M28-H32 PolarHBondContact O-CD2 2.83Å; M28-H32 VanDerWaalsContact O-CD2 3.26Å; M28-H32 PolarHBondContact O-N 3.47Å; E29-H32 PolarHBondContact O-N 2.7Å; F30-H32 VanDerWaalsContact C-N 3.32Å; F30-H32 PolarHBondContact O-N 2.8Å; H32-V34 VanDerWaalsContact C-N 3.32Å; H32-V34 PolarHBondContact O-N 2.69Å; H32-N35 PolarHBondContact O-N 2.79Å; H32-N35 VanDerWaalsContact O-N 3.1Å
33T78.5Confident79.2Confident95 Ų9581 Ų8158%0.58341%0.412SS*.Hα-helixtrans-64.5-37.3176.7-56.20000111.7E29 F30 L31 N35E29-T33 WeakPolarHBondContact O-CB 3.47Å; E29-T33 PolarHBondContact O-N 3.37Å; E29-T33 PolarHBondContact O-OG1 2.77Å; F30-T33 CarbonylContact O-C 3.59Å; F30-T33 WeakPolarHBondContact O-CA 3.34Å; F30-T33 VanDerWaalsContact O-CB 3.31Å; F30-T33 WeakPolarHBondContact O-CB 3.09Å; F30-T33 PolarHBondContact O-N 3.24Å; L31-T33 VanDerWaalsContact C-N 3.33Å; T33-N35 PolarHBondContact O-N 3.37Å
34V79Confident79.2Confident82 Ų8284.4 Ų84.450%0.49743%0.426SS..THydrogen-bonded Turntrans-73.9-2.6176.8-178.70000112F30 L31 H32 C36F30-V34 HydrophobicContact CD1-CG2 4.14Å; F30-V34 HydrophobicContact CE1-CG2 3.73Å; F30-V34 HydrophobicContact CE2-CG2 4.13Å; F30-V34 HydrophobicContact CZ-CG2 3.73Å; F30-V34 WeakPolarHBondContact O-CG2 3.49Å; F30-V34 PolarHBondContact O-N 2.98Å; L31-V34 PolarHBondContact O-N 2.77Å; H32-V34 VanDerWaalsContact C-N 3.32Å; H32-V34 PolarHBondContact O-N 2.69Å; V34-C36 HydrophobicContact CG1-CB 4.18Å; V34-C36 PolarHBondContact O-N 3.45Å; V34-C36 VanDerWaalsContact O-N 3.1Å
35N76.8Confident79.3Confident147 Ų14788 Ų8879%0.78644%0.438SS*.THydrogen-bonded Turntrans50.532.6-175.3-166.137.2000112.2L31 H32 T33L31-N35 PolarHBondContact O-N 2.91Å; H32-N35 PolarHBondContact O-N 2.79Å; H32-N35 VanDerWaalsContact O-N 3.1Å; T33-N35 PolarHBondContact O-N 3.37Å
36C71.6Confident79.2Confident51 Ų5185.9 Ų85.935%0.34543%0.426SS..  trans-95.9125.5178.1-157.40000108.2L31 V34 F38L31-C36 PolarHBondContact O-N 2.89Å; V34-C36 HydrophobicContact CG1-CB 4.18Å; V34-C36 PolarHBondContact O-N 3.45Å; V34-C36 VanDerWaalsContact O-N 3.1Å; C36-F38 HydrophobicContact CB-CD2 3.8Å; C36-F38 HydrophobicContact CB-CE2 4.04Å; C36-F38 PolarHBondContact O-N 2.82Å; C36-F38 VanDerWaalsContact SG-CD2 3.54Å; C36-F38 WeakPolarHBondContact SG-CE2 3.44Å
37P64.3Low79.1Confident124 Ų12485.1 Ų85.181%0.80542%0.423SS*.  trans-77.959.2-175.633.8-37.2000111.2K39P37-K39 PolarHBondContact O-N 2.94Å
38F71.9Confident79.3Confident101 Ų10192.4 Ų92.444%0.44345%0.453SS..  trans-74.9124.6166.1-79.1-87.2000108.5L31 C36 Q42 V43L31-F38 HydrophobicContact CD1-CB 3.96Å; L31-F38 HydrophobicContact CD1-CD2 4.43Å; L31-F38 HydrophobicContact CD1-CG 4.23Å; L31-F38 HydrophobicContact CD2-CD2 3.67Å; L31-F38 HydrophobicContact CD2-CE2 4.05Å; L31-F38 HydrophobicContact CD2-CG 4.28Å; C36-F38 HydrophobicContact CB-CD2 3.8Å; C36-F38 HydrophobicContact CB-CE2 4.04Å; C36-F38 PolarHBondContact O-N 2.82Å; C36-F38 VanDerWaalsContact SG-CD2 3.54Å; C36-F38 WeakPolarHBondContact SG-CE2 3.44Å; F38-Q42 HydrophobicContact CD1-CB 4.14Å; F38-V43 HydrophobicContact CB-CG2 4.1Å
39K79.2Confident79.4Confident156 Ų15697 Ų9768%0.67847%0.474SS*.  trans-69.3144.5172.2-69-179.9-179.7175.80108.4P37 E41 Q42 V43P37-K39 PolarHBondContact O-N 2.94Å; K39-E41 PolarHBondContact O-N 3.07Å; K39-Q42 WeakPolarHBondContact O-CA 3.45Å; K39-Q42 WeakPolarHBondContact O-CB 3.43Å; K39-Q42 PolarHBondContact O-N 3.39Å; K39-V43 PolarHBondContact O-N 3.46Å
40K77.9Confident79.3Confident123 Ų12394.3 Ų94.354%0.53546%0.462SS..Hα-helixtrans-43.4-42.1171.6176.6176.2177.3-175.90112M28 Q42 V43 E44M28-K40 HydrophobicContact CE-CB 3.96Å; M28-K40 HydrophobicContact CE-CD 3.83Å; M28-K40 HydrophobicContact CE-CG 3.54Å; K40-Q42 VanDerWaalsContact C-N 3.33Å; K40-Q42 PolarHBondContact O-N 3.15Å; K40-V43 WeakPolarHBondContact O-CB 3.12Å; K40-V43 PolarHBondContact O-N 2.72Å; K40-V43 VanDerWaalsContact O-N 3.16Å; K40-E44 VanDerWaalsContact CE-OE1 3.28Å; K40-E44 WeakPolarHBondContact CE-OE1 3.28Å; K40-E44 HydrophobicContact CG-CG 4.17Å; K40-E44 WeakPolarHBondContact CG-OE2 3.23Å; K40-E44 IonicContact NZ-OE1 3.89Å; K40-E44 WeakPolarHBondContact O-CB 3.32Å; K40-E44 WeakPolarHBondContact O-CG 3.23Å; K40-E44 PolarHBondContact O-N 2.7Å
41E82.7Confident79.6Confident116 Ų11692.2 Ų92.254%0.54245%0.453SS..Hα-helixtrans-61.8-33.4178.2-162.4-173.310100114.4K39 K45K39-E41 PolarHBondContact O-N 3.07Å; E41-K45 WeakPolarHBondContact O-CB 3.31Å; E41-K45 WeakPolarHBondContact O-CG 3.35Å; E41-K45 PolarHBondContact O-N 2.95Å; E41-K45 IonicContact OE1-NZ 3.89Å; E41-K45 PolarHBondContact OE1-NZ 3.01Å
42Q83.3Confident79.5Confident93 Ų9397.5 Ų97.544%0.43548%0.475SS..Hα-helixtrans-72.3-39.9175.3-72.4169.9-22.100111.2F38 K39 K40 K45 F46F38-Q42 HydrophobicContact CD1-CB 4.14Å; K39-Q42 WeakPolarHBondContact O-CA 3.45Å; K39-Q42 WeakPolarHBondContact O-CB 3.43Å; K39-Q42 PolarHBondContact O-N 3.39Å; K40-Q42 VanDerWaalsContact C-N 3.33Å; K40-Q42 PolarHBondContact O-N 3.15Å; Q42-K45 PolarHBondContact O-N 3.03Å; Q42-F46 WeakPolarHBondContact O-CB 3.37Å; Q42-F46 PolarHBondContact O-N 3.14Å
43V81.9Confident79.6Confident4 Ų495.3 Ų95.32%0.02447%0.468CS..Hα-helixtrans-63.4-46.9175.1-172.30000109.9L27 L31 F38 K39 K40 K45 F46 I47L27-V43 HydrophobicContact CB-CG1 4.15Å; L27-V43 HydrophobicContact CD2-CG1 3.75Å; L27-V43 HydrophobicContact CG-CG1 3.94Å; L31-V43 HydrophobicContact CD1-CB 4.38Å; L31-V43 HydrophobicContact CD1-CG1 4.2Å; L31-V43 HydrophobicContact CD1-CG2 3.34Å; F38-V43 HydrophobicContact CB-CG2 4.1Å; K39-V43 PolarHBondContact O-N 3.46Å; K40-V43 WeakPolarHBondContact O-CB 3.12Å; K40-V43 PolarHBondContact O-N 2.72Å; K40-V43 VanDerWaalsContact O-N 3.16Å; V43-K45 VanDerWaalsContact C-N 3.34Å; V43-K45 PolarHBondContact O-N 3.3Å; V43-F46 PolarHBondContact O-N 3.33Å; V43-I47 HydrophobicContact CG1-CD1 3.96Å; V43-I47 WeakPolarHBondContact O-CG1 3.21Å; V43-I47 PolarHBondContact O-N 3.11Å
44E82.3Confident79.5Confident91 Ų9193.5 Ų93.543%0.42547%0.469SS..Hα-helixtrans-61.3-40.7176-73.7179.1127.400112K40 K48K40-E44 VanDerWaalsContact CE-OE1 3.28Å; K40-E44 WeakPolarHBondContact CE-OE1 3.28Å; K40-E44 HydrophobicContact CG-CG 4.17Å; K40-E44 WeakPolarHBondContact CG-OE2 3.23Å; K40-E44 IonicContact NZ-OE1 3.89Å; K40-E44 WeakPolarHBondContact O-CB 3.32Å; K40-E44 WeakPolarHBondContact O-CG 3.23Å; K40-E44 PolarHBondContact O-N 2.7Å; E44-K48 WeakPolarHBondContact O-CB 3.49Å; E44-K48 PolarHBondContact O-N 3.13Å
45K84Confident79.8Confident111 Ų11192.3 Ų92.348%0.48346%0.459SS..Hα-helixtrans-63.8-43.9173.8-79.5170.4-179.6165.10111.9E41 Q42 V43 Q49E41-K45 WeakPolarHBondContact O-CB 3.31Å; E41-K45 WeakPolarHBondContact O-CG 3.35Å; E41-K45 PolarHBondContact O-N 2.95Å; E41-K45 IonicContact OE1-NZ 3.89Å; E41-K45 PolarHBondContact OE1-NZ 3.01Å; Q42-K45 PolarHBondContact O-N 3.03Å; V43-K45 VanDerWaalsContact C-N 3.34Å; V43-K45 PolarHBondContact O-N 3.3Å; K45-Q49 WeakPolarHBondContact O-CB 3.34Å; K45-Q49 VanDerWaalsContact O-CG 3.26Å; K45-Q49 WeakPolarHBondContact O-CG 3.12Å; K45-Q49 PolarHBondContact O-N 2.84Å
46F81.2Confident80Confident94 Ų9486.6 Ų86.641%0.41244%0.435SS..Hα-helixtrans-63-44.5179.1-178.5-94.9000111.1L27 Q42 V43 Q49 H50 L58L27-F46 HydrophobicContact CD2-CD1 3.91Å; L27-F46 HydrophobicContact CD2-CE1 4.41Å; Q42-F46 WeakPolarHBondContact O-CB 3.37Å; Q42-F46 PolarHBondContact O-N 3.14Å; V43-F46 PolarHBondContact O-N 3.33Å; F46-Q49 PolarHBondContact O-N 2.97Å; F46-H50 AromaticContact CD2-CE1 3.8Å; F46-H50 AromaticContact CD2-ND1 3.96Å; F46-H50 AromaticContact CE2-CE1 3.43Å; F46-H50 VanDerWaalsContact CE2-CE1 3.43Å; F46-H50 WeakPolarHBondContact CE2-CE1 3.23Å; F46-H50 AromaticContact CE2-ND1 3.79Å; F46-H50 AromaticContact CZ-CE1 3.79Å; F46-H50 AromaticContact CZ-ND1 3.82Å; F46-H50 PolarHBondContact O-N 3.14Å; F46-H50 PolarHBondContact O-ND1 3.09Å; F46-L58 HydrophobicContact CE1-CD1 4.35Å
47I82.8Confident80.6Confident5 Ų586.8 Ų86.83%0.02643%0.431CS..Hα-helixtrans-64.9-53.5177.4-68.3169.2000109.3L27 V43 Q49 H50 D51 L58L27-I47 HydrophobicContact CB-CD1 4.42Å; L27-I47 HydrophobicContact CD2-CD1 3.94Å; L27-I47 HydrophobicContact CD2-CG1 3.84Å; V43-I47 HydrophobicContact CG1-CD1 3.96Å; V43-I47 WeakPolarHBondContact O-CG1 3.21Å; V43-I47 PolarHBondContact O-N 3.11Å; I47-Q49 PolarHBondContact O-N 3.32Å; I47-H50 CarbonylContact O-C 3.59Å; I47-H50 PolarHBondContact O-N 3.39Å; I47-D51 HydrophobicContact CG2-CB 3.96Å; I47-D51 WeakPolarHBondContact O-CA 3.27Å; I47-D51 WeakPolarHBondContact O-CB 3.42Å; I47-D51 PolarHBondContact O-N 2.88Å; I47-L58 HydrophobicContact CG1-CD1 4.48Å
48K83.5Confident81.6Confident174 Ų17481.1 Ų81.176%0.75739%0.394SS*.Hα-helixtrans-58.2-26.1-179.3-171.3175.4-178.2179.40114.4E44 H50E44-K48 WeakPolarHBondContact O-CB 3.49Å; E44-K48 PolarHBondContact O-N 3.13Å; K48-H50 VanDerWaalsContact C-N 3.35Å
49Q83.6Confident82.2Confident146 Ų14678 Ų7868%0.68238%0.382SS*.Hα-helixtrans-72.9-29.6175.4-80.9177.714.200113K45 F46 I47K45-Q49 WeakPolarHBondContact O-CB 3.34Å; K45-Q49 VanDerWaalsContact O-CG 3.26Å; K45-Q49 WeakPolarHBondContact O-CG 3.12Å; K45-Q49 PolarHBondContact O-N 2.84Å; F46-Q49 PolarHBondContact O-N 2.97Å; I47-Q49 PolarHBondContact O-N 3.32Å
50H82.2Confident82.3Confident42 Ų4273 Ų7319%0.19437%0.365CS..Hα-helixtrans-109.8-21.6-174.1-62.3103.8000113.3F46 I47 K48 K52 L58 V66F46-H50 AromaticContact CD2-CE1 3.8Å; F46-H50 AromaticContact CD2-ND1 3.96Å; F46-H50 AromaticContact CE2-CE1 3.43Å; F46-H50 VanDerWaalsContact CE2-CE1 3.43Å; F46-H50 WeakPolarHBondContact CE2-CE1 3.23Å; F46-H50 AromaticContact CE2-ND1 3.79Å; F46-H50 AromaticContact CZ-CE1 3.79Å; F46-H50 AromaticContact CZ-ND1 3.82Å; F46-H50 PolarHBondContact O-N 3.14Å; F46-H50 PolarHBondContact O-ND1 3.09Å; I47-H50 CarbonylContact O-C 3.59Å; I47-H50 PolarHBondContact O-N 3.39Å; K48-H50 VanDerWaalsContact C-N 3.35Å; H50-K52 PolarHBondContact O-N 2.96Å; H50-K52 VanDerWaalsContact O-N 3.15Å; H50-L58 HydrophobicContact CB-CD2 3.7Å; H50-V66 HydrophobicContact CB-CG2 3.47Å; H50-V66 VanDerWaalsContact CB-CG2 3.47Å; H50-V66 WeakPolarHBondContact CD2-CG2 3.1Å
51D84.5Confident82.6Confident21 Ų2172.9 Ų72.911%0.11237%0.37CS..  trans-73.494.5172.3176.114.1000108.3I47 G54 D55 G56 L58 E62I47-D51 HydrophobicContact CG2-CB 3.96Å; I47-D51 WeakPolarHBondContact O-CA 3.27Å; I47-D51 WeakPolarHBondContact O-CB 3.42Å; I47-D51 PolarHBondContact O-N 2.88Å; D51-G54 VanDerWaalsContact OD1-CA 3.23Å; D51-G54 WeakPolarHBondContact OD1-CA 3.39Å; D51-G54 PolarHBondContact OD1-N 3.41Å; D51-G54 VanDerWaalsContact OD2-CA 3.32Å; D51-G54 WeakPolarHBondContact OD2-CA 3.47Å; D51-D55 PolarHBondContact OD1-N 3.36Å; D51-D55 PolarHBondContact OD2-N 2.69Å; D51-G56 VanDerWaalsContact OD2-CA 3.23Å; D51-G56 WeakPolarHBondContact OD2-CA 3.42Å; D51-G56 PolarHBondContact OD2-N 2.77Å; D51-L58 HydrophobicContact CB-CD2 4.07Å; D51-E62 VanDerWaalsContact CA-OE1 3.27Å; D51-E62 WeakPolarHBondContact CA-OE1 3.49Å
52K79.1Confident82.6Confident139 Ų13967.7 Ų67.760%0.60435%0.345SS*.SBendtrans-82.8-31.1179.5-66.5-174.8-175.8-178.60111H50 G54 E62 D65H50-K52 PolarHBondContact O-N 2.96Å; H50-K52 VanDerWaalsContact O-N 3.15Å; K52-G54 VanDerWaalsContact C-N 3.32Å; K52-E62 PolarHBondContact N-OE1 3.26Å; K52-D65 WeakPolarHBondContact CE-OD1 3.47Å; K52-D65 IonicContact NZ-OD1 3.95Å; K52-D65 PolarHBondContact NZ-OD1 3.33Å; K52-D65 IonicContact NZ-OD2 2.73Å; K52-D65 PolarHBondContact NZ-OD2 2.9Å
53D81.4Confident82.5Confident86 Ų8664 Ų6446%0.4633%0.329SS..SBendtrans-79.5-16.7176.765.3-77.3000113.7K21 D55 N59 E62K21-D53 IonicContact NZ-OD2 2.81Å; D53-D55 VanDerWaalsContact C-N 3.3Å; D53-D55 WeakPolarHBondContact OD2-CB 3.41Å; D53-N59 PolarHBondContact OD1-ND2 2.87Å; D53-E62 PolarHBondContact N-OE1 3.34Å; D53-E62 VanDerWaalsContact OD1-CD 3.24Å
54G77.4Confident82.6Confident58 Ų5865.2 Ų65.260%0.59834%0.335SS*.  trans71.324.1177.200000113D51 K52 G56D51-G54 VanDerWaalsContact OD1-CA 3.23Å; D51-G54 WeakPolarHBondContact OD1-CA 3.39Å; D51-G54 PolarHBondContact OD1-N 3.41Å; D51-G54 VanDerWaalsContact OD2-CA 3.32Å; D51-G54 WeakPolarHBondContact OD2-CA 3.47Å; K52-G54 VanDerWaalsContact C-N 3.32Å; G54-G56 VanDerWaalsContact C-N 3.29Å
55D83.7Confident82.5Confident56 Ų5664.2 Ų64.230%0.29933%0.332SS..SBendtrans-84.5-5.7178.786.5-26000112.8K21 D51 D53 Q57K21-D55 IonicContact NZ-OD2 2.67Å; K21-D55 PolarHBondContact NZ-OD2 3.37Å; D51-D55 PolarHBondContact OD1-N 3.36Å; D51-D55 PolarHBondContact OD2-N 2.69Å; D53-D55 VanDerWaalsContact C-N 3.3Å; D53-D55 WeakPolarHBondContact OD2-CB 3.41Å; D55-Q57 VanDerWaalsContact C-N 3.35Å; D55-Q57 WeakPolarHBondContact OD1-CA 3.33Å; D55-Q57 VanDerWaalsContact OD1-CB 3.31Å; D55-Q57 WeakPolarHBondContact OD1-CB 3.44Å; D55-Q57 PolarHBondContact OD1-N 3.12Å; D55-Q57 VanDerWaalsContact OD1-O 3.04Å; D55-Q57 PolarHBondContact OD2-NE2 3.36Å
56G81.4Confident82.1Confident27 Ų2760.4 Ų60.428%0.27832%0.318SS..SBendtrans81.313.6-177.600000113.8S24 D51 G54S24-G56 PolarHBondContact N-O 3.06Å; D51-G56 VanDerWaalsContact OD2-CA 3.23Å; D51-G56 WeakPolarHBondContact OD2-CA 3.42Å; D51-G56 PolarHBondContact OD2-N 2.77Å; G54-G56 VanDerWaalsContact C-N 3.29Å
57Q84.1Confident81.6Confident55 Ų5559.1 Ų59.126%0.25732%0.315SS..EExtended strand (participates in β ladder)trans-133.1155.3-178.6-46.4179.293.200109.4K21 I22 D55K21-Q57 HydrophobicContact CB-CB 4.1Å; K21-Q57 HydrophobicContact CD-CB 4.31Å; I22-Q57 CarbonylContact O-C 3.44Å; I22-Q57 WeakPolarHBondContact O-CA 3.21Å; D55-Q57 VanDerWaalsContact C-N 3.35Å; D55-Q57 WeakPolarHBondContact OD1-CA 3.33Å; D55-Q57 VanDerWaalsContact OD1-CB 3.31Å; D55-Q57 WeakPolarHBondContact OD1-CB 3.44Å; D55-Q57 PolarHBondContact OD1-N 3.12Å; D55-Q57 VanDerWaalsContact OD1-O 3.04Å; D55-Q57 PolarHBondContact OD2-NE2 3.36Å
58L85.6Confident81Confident5 Ų563 Ų633%0.02634%0.342CS..EExtended strand (participates in β ladder)trans-107.1113.5175.3-63.8175.2000109.4K21 I22 F46 I47 H50 D51 E62K21-L58 CarbonylContact C-O 3.54Å; K21-L58 WeakPolarHBondContact CA-O 3.2Å; I22-L58 HydrophobicContact CB-CB 4.34Å; I22-L58 PolarHBondContact N-O 3.4Å; I22-L58 PolarHBondContact O-N 3Å; F46-L58 HydrophobicContact CE1-CD1 4.35Å; I47-L58 HydrophobicContact CG1-CD1 4.48Å; H50-L58 HydrophobicContact CB-CD2 3.7Å; D51-L58 HydrophobicContact CB-CD2 4.07Å; L58-E62 WeakPolarHBondContact CA-OE2 3.26Å; L58-E62 HydrophobicContact CD2-CB 4.37Å
59N84.3Confident79.7Confident36 Ų3662.1 Ų62.119%0.19336%0.358CS..EExtended strand (participates in β ladder)trans-82174.9175.273.253.7000111.5K21 D53 D61 E62 L63K21-N59 HydrophobicContact CD-CB 4.48Å; K21-N59 HydrophobicContact CG-CB 4.02Å; D53-N59 PolarHBondContact OD1-ND2 2.87Å; N59-D61 VanDerWaalsContact C-N 3.28Å; N59-D61 PolarHBondContact O-N 2.8Å; N59-D61 WeakPolarHBondContact OD1-CA 3.48Å; N59-D61 VanDerWaalsContact OD1-CB 3.26Å; N59-D61 WeakPolarHBondContact OD1-CB 3.05Å; N59-D61 PolarHBondContact OD1-N 3.03Å; N59-E62 PolarHBondContact N-OE2 3.14Å; N59-E62 VanDerWaalsContact ND2-CD 3.35Å; N59-E62 PolarHBondContact ND2-OE2 2.96Å; N59-E62 PolarHBondContact O-N 3Å; N59-E62 PolarHBondContact OD1-N 3.41Å; N59-L63 WeakPolarHBondContact O-CB 3.39Å; N59-L63 PolarHBondContact O-N 2.84Å
60T81.6Confident79.5Confident52 Ų5258 Ų5832%0.31934%0.342SS..Hα-helixtrans-60.5-36.6-178.9-46.80000113.3A7 L11 L64A7-T60 HydrophobicContact CB-CG2 4.1Å; L11-T60 HydrophobicContact CD1-CG2 3.71Å; L11-T60 WeakPolarHBondContact CD1-OG1 3.23Å; T60-L64 HydrophobicContact CG2-CD1 4.3Å; T60-L64 WeakPolarHBondContact O-CD1 3.45Å; T60-L64 WeakPolarHBondContact O-CG 3.39Å; T60-L64 PolarHBondContact O-N 2.89Å; T60-L64 VanDerWaalsContact O-N 3.14Å
61D83.2Confident79.3Confident120 Ų12058.8 Ų58.864%0.64235%0.35SS*.Hα-helixtrans-71.1-43.1-178.1-162.8-110.2000110.9N59 L64 D65N59-D61 VanDerWaalsContact C-N 3.28Å; N59-D61 PolarHBondContact O-N 2.8Å; N59-D61 WeakPolarHBondContact OD1-CA 3.48Å; N59-D61 VanDerWaalsContact OD1-CB 3.26Å; N59-D61 WeakPolarHBondContact OD1-CB 3.05Å; N59-D61 PolarHBondContact OD1-N 3.03Å; D61-L64 WeakPolarHBondContact O-CB 3.37Å; D61-L64 PolarHBondContact O-N 2.9Å; D61-D65 PolarHBondContact O-N 3.34Å
62E84.4Confident79Confident6 Ų660.9 Ų60.93%0.02836%0.363CS..Hα-helixtrans-64.5-43.3176.6-65.5173.8122.500111.6D51 K52 D53 L58 N59 L64 D65 V66D51-E62 VanDerWaalsContact CA-OE1 3.27Å; D51-E62 WeakPolarHBondContact CA-OE1 3.49Å; K52-E62 PolarHBondContact N-OE1 3.26Å; D53-E62 PolarHBondContact N-OE1 3.34Å; D53-E62 VanDerWaalsContact OD1-CD 3.24Å; L58-E62 WeakPolarHBondContact CA-OE2 3.26Å; L58-E62 HydrophobicContact CD2-CB 4.37Å; N59-E62 PolarHBondContact N-OE2 3.14Å; N59-E62 VanDerWaalsContact ND2-CD 3.35Å; N59-E62 PolarHBondContact ND2-OE2 2.96Å; N59-E62 PolarHBondContact O-N 3Å; N59-E62 PolarHBondContact OD1-N 3.41Å; E62-L64 PolarHBondContact O-N 2.81Å; E62-D65 WeakPolarHBondContact O-CB 3.27Å; E62-D65 PolarHBondContact O-N 2.67Å; E62-D65 VanDerWaalsContact O-N 3.09Å; E62-V66 WeakPolarHBondContact O-CG2 3.32Å; E62-V66 PolarHBondContact O-N 3.19Å
63L80.9Confident79Confident17 Ų1756.3 Ų56.39%0.08935%0.349CS..Hα-helixtrans-61.9-34.9176.1-170.463.7000111.9A7 L10 L11 I22 N59 L67A7-L63 HydrophobicContact CB-CB 4.45Å; A7-L63 HydrophobicContact CB-CD2 4.1Å; A7-L63 HydrophobicContact CB-CG 4.33Å; L10-L63 HydrophobicContact CB-CD2 3.79Å; L10-L63 HydrophobicContact CD1-CD2 4.17Å; L11-L63 HydrophobicContact CG-CD2 4.15Å; I22-L63 HydrophobicContact CD1-CD2 4.16Å; N59-L63 WeakPolarHBondContact O-CB 3.39Å; N59-L63 PolarHBondContact O-N 2.84Å; L63-L67 HydrophobicContact CG-CD1 4.17Å; L63-L67 WeakPolarHBondContact O-CB 3.18Å; L63-L67 WeakPolarHBondContact O-CD1 3.4Å; L63-L67 VanDerWaalsContact O-CG 3.23Å; L63-L67 WeakPolarHBondContact O-CG 3.2Å; L63-L67 PolarHBondContact O-N 3.43Å; L63-L67 VanDerWaalsContact O-N 3.14Å
64L82.7Confident78.9Confident28 Ų2854.4 Ų54.415%0.14734%0.342CS..Hα-helixtrans-67.5-40.1173.4-72.8164.6000111.9V2 N3 R4 A7 T60 D61 E62 L67 C68V2-L64 HydrophobicContact CG1-CD2 4.49Å; N3-L64 WeakPolarHBondContact O-CD2 3.18Å; R4-L64 HydrophobicContact CB-CD1 4.47Å; R4-L64 HydrophobicContact CG-CD1 3.71Å; A7-L64 HydrophobicContact CB-CD1 4.42Å; A7-L64 HydrophobicContact CB-CD2 3.53Å; A7-L64 HydrophobicContact CB-CG 3.62Å; T60-L64 HydrophobicContact CG2-CD1 4.3Å; T60-L64 WeakPolarHBondContact O-CD1 3.45Å; T60-L64 WeakPolarHBondContact O-CG 3.39Å; T60-L64 PolarHBondContact O-N 2.89Å; T60-L64 VanDerWaalsContact O-N 3.14Å; D61-L64 WeakPolarHBondContact O-CB 3.37Å; D61-L64 PolarHBondContact O-N 2.9Å; E62-L64 PolarHBondContact O-N 2.81Å; L64-L67 PolarHBondContact O-N 2.93Å; L64-C68 WeakPolarHBondContact O-CB 3.46Å; L64-C68 PolarHBondContact O-N 2.85Å
65D80.7Confident79Confident70 Ų7054.2 Ų54.237%0.37433%0.325SS..Hα-helixtrans-63.4-43.8175.9-166.3-94.5000111.2K52 D61 E62 L67 C68 S69K52-D65 WeakPolarHBondContact CE-OD1 3.47Å; K52-D65 IonicContact NZ-OD1 3.95Å; K52-D65 PolarHBondContact NZ-OD1 3.33Å; K52-D65 IonicContact NZ-OD2 2.73Å; K52-D65 PolarHBondContact NZ-OD2 2.9Å; D61-D65 PolarHBondContact O-N 3.34Å; E62-D65 WeakPolarHBondContact O-CB 3.27Å; E62-D65 PolarHBondContact O-N 2.67Å; E62-D65 VanDerWaalsContact O-N 3.09Å; D65-L67 VanDerWaalsContact C-N 3.29Å; D65-L67 PolarHBondContact O-N 3.32Å; D65-C68 PolarHBondContact O-N 3.41Å; D65-S69 WeakPolarHBondContact O-CB 3.28Å; D65-S69 PolarHBondContact O-N 2.86Å
66V74.9Confident78.6Confident31 Ų3154.1 Ų54.119%0.18833%0.326CS..Hα-helixtrans-55.2-45.2173.8-179.30000111.8H50 E62H50-V66 HydrophobicContact CB-CG2 3.47Å; H50-V66 VanDerWaalsContact CB-CG2 3.47Å; H50-V66 WeakPolarHBondContact CD2-CG2 3.1Å; E62-V66 WeakPolarHBondContact O-CG2 3.32Å; E62-V66 PolarHBondContact O-N 3.19Å
67L72.7Confident78.4Confident67 Ų6756.2 Ų56.235%0.35133%0.33SS..Hα-helixtrans-83.4-17.7-174.5-66170000113.1V2 L10 L63 L64 D65V2-L67 HydrophobicContact CB-CB 4.03Å; V2-L67 HydrophobicContact CG1-CB 3.73Å; V2-L67 HydrophobicContact CG1-CD1 3.83Å; V2-L67 HydrophobicContact CG1-CG 4.41Å; V2-L67 HydrophobicContact CG2-CB 4.02Å; V2-L67 WeakPolarHBondContact CG2-O 3.11Å; L10-L67 HydrophobicContact CD1-CD1 3.62Å; L63-L67 HydrophobicContact CG-CD1 4.17Å; L63-L67 WeakPolarHBondContact O-CB 3.18Å; L63-L67 WeakPolarHBondContact O-CD1 3.4Å; L63-L67 VanDerWaalsContact O-CG 3.23Å; L63-L67 WeakPolarHBondContact O-CG 3.2Å; L63-L67 PolarHBondContact O-N 3.43Å; L63-L67 VanDerWaalsContact O-N 3.14Å; L64-L67 PolarHBondContact O-N 2.93Å; D65-L67 VanDerWaalsContact C-N 3.29Å; D65-L67 PolarHBondContact O-N 3.32Å
68C70.1Confident78Confident87 Ų8756.3 Ų56.359%0.58834%0.336SS*.Hα-helixtrans-102.6-12.9-178-161.40000113.9L64 D65L64-C68 WeakPolarHBondContact O-CB 3.46Å; L64-C68 PolarHBondContact O-N 2.85Å; D65-C68 PolarHBondContact O-N 3.41Å
69S54.4Low77.3Confident156 Ų15660.9 Ų60.9100%1.09136%0.364SS*.  trans-73.80172.8-169.40000112.9D65D65-S69 WeakPolarHBondContact O-CB 3.28Å; D65-S69 PolarHBondContact O-N 2.86Å

Retrieved 69 of 69 residues in 95.6 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).