A0A061HUH1_CRIGR Loading...

Calmodulin 1

AlphaFold DB (P0DP24), UniProt , Accession A0A061HUH1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Calm1, Length 149 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
1M47.7Very low69.2Low137 Ų137100.1 Ų100.168%0.67553%0.525SS*.  0-42.80-85.6-178.5175.700110.6D3 Q4 T71M1-D3 PolarHBondContact N-OD2 2.92Å; M1-D3 VanDerWaalsContact N-OD2 3.1Å; M1-D3 PolarHBondContact O-N 3.19Å; M1-D3 VanDerWaalsContact O-N 3.13Å; M1-Q4 PolarHBondContact O-N 2.77Å; M1-T71 HydrophobicContact SD-CG2 4.2Å
2A48.4Very low70.4Confident46 Ų46102 Ų10238%0.3853%0.529SS..G310 helixtrans-53.7-24.516400000113.6Q4 L5 L70A2-Q4 PolarHBondContact O-N 2.69Å; A2-L5 PolarHBondContact O-N 3.29Å; A2-L70 HydrophobicContact CB-CD1 4.3Å
3D51.7Low71.6Confident153 Ų15395 Ų9582%0.81849%0.492SS*.G310 helixtrans-69-7.9-179.2-42.1-80000115.3M1M1-D3 PolarHBondContact N-OD2 2.92Å; M1-D3 VanDerWaalsContact N-OD2 3.1Å; M1-D3 PolarHBondContact O-N 3.19Å; M1-D3 VanDerWaalsContact O-N 3.13Å
4Q59.8Low72.7Confident172 Ų17298 Ų9880%0.80450%0.5SS*.G310 helixtrans-97.2-9.1177.4-70.4-174.3-18.500113.4M1 A2M1-Q4 PolarHBondContact O-N 2.77Å; A2-Q4 PolarHBondContact O-N 2.69Å
5L69.2Low73.7Confident25 Ų25100.7 Ų100.713%0.13151%0.51CS..SBendtrans-92.1137.6-179.3-62.9173.1000109.9A2 Q9 I10 F13 L70A2-L5 PolarHBondContact O-N 3.29Å; L5-Q9 HydrophobicContact CB-CB 4.25Å; L5-Q9 HydrophobicContact CD2-CB 4.29Å; L5-I10 HydrophobicContact CB-CD1 4.26Å; L5-I10 HydrophobicContact CB-CG1 3.75Å; L5-F13 HydrophobicContact CD1-CD2 3.83Å; L5-F13 HydrophobicContact CD1-CE2 3.66Å; L5-F13 HydrophobicContact CD2-CE2 3.89Å; L5-F13 HydrophobicContact CG-CE2 4.38Å; L5-L70 HydrophobicContact CD1-CD2 3.93Å
6T78.4Confident74.5Confident74 Ų7496.1 Ų96.145%0.45449%0.491SS..  trans-67.2158.1171.760.70000110.7E8 Q9 I10T6-E8 PolarHBondContact O-N 2.92Å; T6-Q9 PolarHBondContact O-N 2.8Å; T6-Q9 VanDerWaalsContact O-N 3.15Å; T6-Q9 VanDerWaalsContact OG1-CG 3.29Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.38Å; T6-Q9 PolarHBondContact OG1-N 3Å; T6-Q9 PolarHBondContact OG1-OE1 3.1Å; T6-I10 WeakPolarHBondContact O-CG1 3.31Å; T6-I10 PolarHBondContact O-N 3.43Å
7E81.7Confident75.4Confident178 Ų17891.1 Ų91.183%0.83247%0.465SS*.Hα-helixtrans-57.2-32.5174.8-66.5-174123.600112A11E7-A11 WeakPolarHBondContact O-CB 3.46Å; E7-A11 PolarHBondContact O-N 2.85Å
8E80.4Confident76.2Confident155 Ų15589.9 Ų89.972%0.72447%0.467SS*.Hα-helixtrans-66-49.1175-65.7-178.9159.500111.5T6 I10 A11 E12T6-E8 PolarHBondContact O-N 2.92Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 2.71Å; E8-A11 WeakPolarHBondContact O-CB 3.41Å; E8-A11 PolarHBondContact O-N 2.77Å; E8-A11 VanDerWaalsContact O-N 3.14Å; E8-E12 PolarHBondContact O-N 2.95Å
9Q75.4Confident76.8Confident54 Ų5490.8 Ų90.825%0.25247%0.472SS..Hα-helixtrans-61.6-40.5175.7-73.8168.3-49.500112.2L5 T6 A11 E12 F13L5-Q9 HydrophobicContact CB-CB 4.25Å; L5-Q9 HydrophobicContact CD2-CB 4.29Å; T6-Q9 PolarHBondContact O-N 2.8Å; T6-Q9 VanDerWaalsContact O-N 3.15Å; T6-Q9 VanDerWaalsContact OG1-CG 3.29Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.38Å; T6-Q9 PolarHBondContact OG1-N 3Å; T6-Q9 PolarHBondContact OG1-OE1 3.1Å; Q9-A11 VanDerWaalsContact C-N 3.3Å; Q9-A11 PolarHBondContact O-N 2.96Å; Q9-E12 PolarHBondContact O-N 3.37Å; Q9-F13 HydrophobicContact CB-CE2 4.35Å; Q9-F13 WeakPolarHBondContact O-CD2 3.37Å; Q9-F13 WeakPolarHBondContact O-CG 3.38Å; Q9-F13 PolarHBondContact O-N 3.4Å
10I82.8Confident77.3Confident56 Ų5688.2 Ų88.229%0.28746%0.457SS..Hα-helixtrans-63.1-39.5176.3-66.1170000110.5L5 T6 E8 F13 K14 F66L5-I10 HydrophobicContact CB-CD1 4.26Å; L5-I10 HydrophobicContact CB-CG1 3.75Å; T6-I10 WeakPolarHBondContact O-CG1 3.31Å; T6-I10 PolarHBondContact O-N 3.43Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 2.71Å; I10-F13 PolarHBondContact O-N 3.12Å; I10-K14 WeakPolarHBondContact O-CB 3.29Å; I10-K14 PolarHBondContact O-N 3.05Å; I10-F66 HydrophobicContact CG2-CE1 4.34Å; I10-F66 HydrophobicContact CG2-CZ 4.23Å
11A85.3Confident78Confident51 Ų5184.8 Ų84.842%0.42144%0.439SS..Hα-helixtrans-64.2-45.7176.500000111.6E7 E8 Q9 F13 K14 E15E7-A11 WeakPolarHBondContact O-CB 3.46Å; E7-A11 PolarHBondContact O-N 2.85Å; E8-A11 WeakPolarHBondContact O-CB 3.41Å; E8-A11 PolarHBondContact O-N 2.77Å; E8-A11 VanDerWaalsContact O-N 3.14Å; Q9-A11 VanDerWaalsContact C-N 3.3Å; Q9-A11 PolarHBondContact O-N 2.96Å; A11-F13 VanDerWaalsContact C-N 3.34Å; A11-F13 PolarHBondContact O-N 2.88Å; A11-K14 WeakPolarHBondContact O-CB 3.11Å; A11-K14 PolarHBondContact O-N 3.37Å; A11-K14 VanDerWaalsContact O-N 3.15Å; A11-E15 PolarHBondContact O-N 3.12Å
12E84.7Confident79.9Confident123 Ų12384.3 Ų84.358%0.57543%0.433SS*.Hα-helixtrans-59.3-43.9175-70.6-178.7175.700111.9E8 Q9 K14 E15 A16E8-E12 PolarHBondContact O-N 2.95Å; Q9-E12 PolarHBondContact O-N 3.37Å; E12-K14 VanDerWaalsContact C-N 3.3Å; E12-K14 PolarHBondContact O-N 2.99Å; E12-E15 PolarHBondContact O-N 2.84Å; E12-A16 WeakPolarHBondContact O-CB 3.28Å; E12-A16 PolarHBondContact O-N 2.88Å
13F85.5Confident81.9Confident11 Ų1187.4 Ų87.45%0.04844%0.444CS..Hα-helixtrans-67.1-31.5176.4-69.9-43.9000113.3L5 Q9 I10 A11 A16 F17 F66 F69 L70 M73 M77L5-F13 HydrophobicContact CD1-CD2 3.83Å; L5-F13 HydrophobicContact CD1-CE2 3.66Å; L5-F13 HydrophobicContact CD2-CE2 3.89Å; L5-F13 HydrophobicContact CG-CE2 4.38Å; Q9-F13 HydrophobicContact CB-CE2 4.35Å; Q9-F13 WeakPolarHBondContact O-CD2 3.37Å; Q9-F13 WeakPolarHBondContact O-CG 3.38Å; Q9-F13 PolarHBondContact O-N 3.4Å; I10-F13 PolarHBondContact O-N 3.12Å; A11-F13 VanDerWaalsContact C-N 3.34Å; A11-F13 PolarHBondContact O-N 2.88Å; F13-A16 PolarHBondContact O-N 3.06Å; F13-F17 VanDerWaalsContact O-CB 3.26Å; F13-F17 WeakPolarHBondContact O-CB 3.32Å; F13-F17 PolarHBondContact O-N 2.79Å; F13-F66 HydrophobicContact CB-CE2 4.38Å; F13-F69 HydrophobicContact CB-CE1 4.49Å; F13-L70 HydrophobicContact CB-CD2 3.54Å; F13-L70 HydrophobicContact CD2-CD2 3.53Å; F13-L70 HydrophobicContact CG-CD2 3.83Å; F13-M73 HydrophobicContact CD1-CB 3.86Å; F13-M73 HydrophobicContact CD1-CE 3.92Å; F13-M73 HydrophobicContact CD1-CG 3.9Å; F13-M73 HydrophobicContact CE1-CB 3.53Å; F13-M73 HydrophobicContact CE1-CE 3.45Å; F13-M73 VanDerWaalsContact CE1-CE 3.45Å; F13-M73 HydrophobicContact CE1-CG 3.92Å; F13-M73 HydrophobicContact CE2-CB 4.34Å; F13-M73 HydrophobicContact CG-CB 4.44Å; F13-M73 HydrophobicContact CZ-CB 3.75Å; F13-M73 HydrophobicContact CZ-CE 4.48Å; F13-M77 HydrophobicContact CE2-SD 4.18Å; F13-M77 HydrophobicContact CZ-CE 4.18Å; F13-M77 HydrophobicContact CZ-CG 4.2Å; F13-M77 HydrophobicContact CZ-SD 3.51Å; F13-M77 VanDerWaalsContact CZ-SD 3.51Å
14K86.7Confident83.6Confident137 Ų13783 Ų8360%0.59643%0.434SS*.Hα-helixtrans-69.2-39.7174.5-167.8174.1-176175.70111.6I10 A11 E12 F17 S18 F66I10-K14 WeakPolarHBondContact O-CB 3.29Å; I10-K14 PolarHBondContact O-N 3.05Å; A11-K14 WeakPolarHBondContact O-CB 3.11Å; A11-K14 PolarHBondContact O-N 3.37Å; A11-K14 VanDerWaalsContact O-N 3.15Å; E12-K14 VanDerWaalsContact C-N 3.3Å; E12-K14 PolarHBondContact O-N 2.99Å; K14-F17 PolarHBondContact O-N 3Å; K14-S18 PolarHBondContact O-N 3.09Å; K14-F66 HydrophobicContact CB-CE2 3.98Å; K14-F66 HydrophobicContact CB-CZ 3.87Å; K14-F66 HydrophobicContact CG-CE2 4.37Å; K14-F66 HydrophobicContact CG-CZ 4.33Å
15E87.8Confident85.2Confident139 Ų13979.4 Ų79.465%0.6542%0.42SS*.Hα-helixtrans-62.2-46.5171.5-70.4-172.5177.200110.6A11 E12 F17 S18 L19A11-E15 PolarHBondContact O-N 3.12Å; E12-E15 PolarHBondContact O-N 2.84Å; E15-F17 PolarHBondContact O-N 2.98Å; E15-S18 PolarHBondContact O-N 3.41Å; E15-S18 PolarHBondContact O-OG 3.21Å; E15-L19 PolarHBondContact O-N 2.94Å
16A86.9Confident86.3Confident26 Ų2679.7 Ų79.722%0.21543%0.43CS..Hα-helixtrans-58.8-46.317500000111.9E12 F13 S18 L19 F20 F69E12-A16 WeakPolarHBondContact O-CB 3.28Å; E12-A16 PolarHBondContact O-N 2.88Å; F13-A16 PolarHBondContact O-N 3.06Å; A16-S18 VanDerWaalsContact C-N 3.28Å; A16-S18 PolarHBondContact O-N 3.16Å; A16-L19 WeakPolarHBondContact O-CA 3.37Å; A16-L19 VanDerWaalsContact O-CB 3.23Å; A16-L19 WeakPolarHBondContact O-CB 3.18Å; A16-L19 PolarHBondContact O-N 2.81Å; A16-F20 WeakPolarHBondContact O-CD2 3.36Å; A16-F20 PolarHBondContact O-N 2.74Å; A16-F69 HydrophobicContact CB-CE1 4.37Å; A16-F69 HydrophobicContact CB-CZ 4.32Å
17F89.1Confident87Confident11 Ų1177.7 Ų77.75%0.04842%0.417CS..Hα-helixtrans-56.5-42.5177.1-173.2-92.4000111.6F13 K14 E15 L19 F20 D21 G26 I28 F66 F69F13-F17 VanDerWaalsContact O-CB 3.26Å; F13-F17 WeakPolarHBondContact O-CB 3.32Å; F13-F17 PolarHBondContact O-N 2.79Å; K14-F17 PolarHBondContact O-N 3Å; E15-F17 PolarHBondContact O-N 2.98Å; F17-L19 PolarHBondContact O-N 3.28Å; F17-F20 WeakPolarHBondContact O-CA 3.14Å; F17-F20 WeakPolarHBondContact O-CB 3.48Å; F17-F20 PolarHBondContact O-N 3.01Å; F17-D21 HydrophobicContact CD1-CB 4.06Å; F17-D21 HydrophobicContact CE1-CB 3.76Å; F17-D21 HydrophobicContact CZ-CB 4.45Å; F17-D21 PolarHBondContact O-N 2.93Å; F17-G26 VanDerWaalsContact CZ-O 3.32Å; F17-G26 WeakPolarHBondContact CZ-O 3.38Å; F17-I28 HydrophobicContact CD2-CD1 3.45Å; F17-I28 VanDerWaalsContact CD2-CD1 3.45Å; F17-I28 HydrophobicContact CD2-CG1 4.11Å; F17-I28 HydrophobicContact CE2-CD1 3.33Å; F17-I28 HydrophobicContact CE2-CG1 3.6Å; F17-I28 HydrophobicContact CG-CD1 4.29Å; F17-I28 HydrophobicContact CZ-CD1 4.07Å; F17-I28 HydrophobicContact CZ-CG1 3.82Å; F17-F66 HydrophobicContact CB-CD2 3.84Å; F17-F66 HydrophobicContact CB-CE2 4.09Å; F17-F66 HydrophobicContact CD1-CD2 4.26Å; F17-F66 HydrophobicContact CD2-CB 4.4Å; F17-F66 AromaticContact CD2-CD2 3.85Å; F17-F66 HydrophobicContact CD2-CD2 3.85Å; F17-F66 HydrophobicContact CE1-CB 4.46Å; F17-F66 HydrophobicContact CE2-CB 4.2Å; F17-F66 HydrophobicContact CE2-CD2 4.47Å; F17-F66 AromaticContact CG-CD2 3.71Å; F17-F66 HydrophobicContact CG-CD2 3.71Å; F17-F66 HydrophobicContact CG-CE2 4.45Å; F17-F66 HydrophobicContact CZ-CB 4.24Å; F17-F69 HydrophobicContact CB-CD1 4.17Å; F17-F69 HydrophobicContact CB-CE1 4.18Å; F17-F69 HydrophobicContact CD2-CB 3.62Å; F17-F69 AromaticContact CD2-CD1 3.84Å; F17-F69 HydrophobicContact CD2-CD1 3.84Å; F17-F69 AromaticContact CD2-CD2 3.99Å; F17-F69 HydrophobicContact CD2-CD2 3.99Å; F17-F69 HydrophobicContact CD2-CE1 4.49Å; F17-F69 AromaticContact CD2-CG 3.55Å; F17-F69 HydrophobicContact CD2-CG 3.55Å; F17-F69 HydrophobicContact CE2-CB 3.84Å; F17-F69 HydrophobicContact CE2-CG 4.22Å
18S89.4Confident87.5Confident71 Ų7169.3 Ų69.350%0.49738%0.378SS..Hα-helixtrans-67-15.6176.576.70000114.4K14 E15 A16K14-S18 PolarHBondContact O-N 3.09Å; E15-S18 PolarHBondContact O-N 3.41Å; E15-S18 PolarHBondContact O-OG 3.21Å; A16-S18 VanDerWaalsContact C-N 3.28Å; A16-S18 PolarHBondContact O-N 3.16Å
19L87.7Confident88.1Confident107 Ų10763.8 Ų63.856%0.5636%0.355SS*.Hα-helixtrans-76.1-29.1169.5-60.5175000111.5E15 A16 F17 K22 V36E15-L19 PolarHBondContact O-N 2.94Å; A16-L19 WeakPolarHBondContact O-CA 3.37Å; A16-L19 VanDerWaalsContact O-CB 3.23Å; A16-L19 WeakPolarHBondContact O-CB 3.18Å; A16-L19 PolarHBondContact O-N 2.81Å; F17-L19 PolarHBondContact O-N 3.28Å; L19-K22 VanDerWaalsContact O-CE 3.27Å; L19-K22 WeakPolarHBondContact O-CE 3.47Å; L19-K22 PolarHBondContact O-NZ 3.04Å; L19-V36 VanDerWaalsContact O-CG2 3.29Å; L19-V36 WeakPolarHBondContact O-CG2 3.13Å
20F87.5Confident88.9Confident38 Ų3862 Ų6217%0.16735%0.348CS..Hα-helixtrans-84.3-56176.5-64.8-86.7000111.5A16 F17 K22 I28 E32 L33 V36 F69A16-F20 WeakPolarHBondContact O-CD2 3.36Å; A16-F20 PolarHBondContact O-N 2.74Å; F17-F20 WeakPolarHBondContact O-CA 3.14Å; F17-F20 WeakPolarHBondContact O-CB 3.48Å; F17-F20 PolarHBondContact O-N 3.01Å; F20-K22 PolarHBondContact O-N 3.15Å; F20-I28 HydrophobicContact CB-CB 4.49Å; F20-I28 HydrophobicContact CB-CD1 3.39Å; F20-I28 HydrophobicContact CB-CG1 3.65Å; F20-I28 HydrophobicContact CB-CG2 4Å; F20-I28 HydrophobicContact CD2-CD1 4.37Å; F20-I28 HydrophobicContact CG-CD1 3.99Å; F20-E32 WeakPolarHBondContact O-CB 3.41Å; F20-L33 HydrophobicContact CD1-CD1 3.94Å; F20-L33 HydrophobicContact CE1-CD1 3.85Å; F20-V36 HydrophobicContact CB-CG2 4.39Å; F20-V36 HydrophobicContact CD1-CB 3.65Å; F20-V36 HydrophobicContact CD1-CG1 3.82Å; F20-V36 HydrophobicContact CD1-CG2 3.6Å; F20-V36 HydrophobicContact CE1-CB 3.7Å; F20-V36 HydrophobicContact CE1-CG1 3.42Å; F20-V36 VanDerWaalsContact CE1-CG1 3.42Å; F20-V36 HydrophobicContact CE1-CG2 4.13Å; F20-V36 HydrophobicContact CG-CG2 4.12Å; F20-V36 HydrophobicContact CZ-CG1 3.95Å; F20-F69 AromaticContact CD2-CE2 3.82Å; F20-F69 HydrophobicContact CD2-CE2 3.82Å; F20-F69 AromaticContact CD2-CZ 4Å; F20-F69 HydrophobicContact CD2-CZ 4Å; F20-F69 AromaticContact CE2-CE2 3.83Å; F20-F69 HydrophobicContact CE2-CE2 3.83Å; F20-F69 AromaticContact CE2-CZ 3.85Å; F20-F69 HydrophobicContact CE2-CZ 3.85Å
21D91.7Very high89.3Confident17 Ų1766.5 Ų66.59%0.09137%0.365CS..  trans-66.499.7177176.95.5000109.9F17 G24 D25 G26 I28F17-D21 HydrophobicContact CD1-CB 4.06Å; F17-D21 HydrophobicContact CE1-CB 3.76Å; F17-D21 HydrophobicContact CZ-CB 4.45Å; F17-D21 PolarHBondContact O-N 2.93Å; D21-G24 WeakPolarHBondContact OD1-CA 3.38Å; D21-G24 PolarHBondContact OD1-N 2.78Å; D21-G24 WeakPolarHBondContact OD2-CA 3.5Å; D21-D25 PolarHBondContact OD1-N 3.01Å; D21-D25 PolarHBondContact OD2-N 3.21Å; D21-G26 WeakPolarHBondContact OD2-CA 3.38Å; D21-G26 PolarHBondContact OD2-N 3.06Å; D21-I28 HydrophobicContact CB-CG1 4.38Å
22K87.6Confident89.7Confident126 Ų12664.7 Ų64.755%0.54835%0.348SS..SBendtrans-86.9-30.7-172.3-70.6-49.3-169.5-166.30112.5L19 F20 E32L19-K22 VanDerWaalsContact O-CE 3.27Å; L19-K22 WeakPolarHBondContact O-CE 3.47Å; L19-K22 PolarHBondContact O-NZ 3.04Å; F20-K22 PolarHBondContact O-N 3.15Å; K22-E32 HydrophobicContact CB-CG 4.35Å; K22-E32 HydrophobicContact CG-CG 4.34Å; K22-E32 PolarHBondContact N-OE1 2.8Å
23D90.5Very high90Very high112 Ų11259.6 Ų59.660%0.59933%0.325SS*.SBendtrans-94.5-11.1179.566.916.2000113.3D25D23-D25 WeakPolarHBondContact OD1-CB 3.33Å; D23-D25 PolarHBondContact OD1-N 2.99Å; D23-D25 VanDerWaalsContact OD1-N 3.09Å
24G88.4Confident90.2Very high59 Ų5959.1 Ų59.161%0.60832%0.323SS*.  trans77.423.2175.300000112.8D21 G26D21-G24 WeakPolarHBondContact OD1-CA 3.38Å; D21-G24 PolarHBondContact OD1-N 2.78Å; D21-G24 WeakPolarHBondContact OD2-CA 3.5Å; G24-G26 PolarHBondContact O-N 3.23Å
25D92.6Very high90.4Very high97 Ų9755.9 Ų55.952%0.51931%0.314SS..SBendtrans-76.8-9.2-179.583.7-2.1000113.5D21 D23 T27D21-D25 PolarHBondContact OD1-N 3.01Å; D21-D25 PolarHBondContact OD2-N 3.21Å; D23-D25 WeakPolarHBondContact OD1-CB 3.33Å; D23-D25 PolarHBondContact OD1-N 2.99Å; D23-D25 VanDerWaalsContact OD1-N 3.09Å; D25-T27 WeakPolarHBondContact OD1-CA 3.3Å; D25-T27 WeakPolarHBondContact OD1-CB 3.32Å; D25-T27 PolarHBondContact OD1-N 3.4Å; D25-T27 PolarHBondContact OD1-OG1 3.27Å; D25-T27 PolarHBondContact OD2-OG1 3.04Å
26G91.4Very high90.4Very high32 Ų3249.8 Ų49.833%0.3329%0.287SS..SBendtrans91.38.4179.100000114.1F17 D21 G24F17-G26 VanDerWaalsContact CZ-O 3.32Å; F17-G26 WeakPolarHBondContact CZ-O 3.38Å; D21-G26 WeakPolarHBondContact OD2-CA 3.38Å; D21-G26 PolarHBondContact OD2-N 3.06Å; G24-G26 PolarHBondContact O-N 3.23Å
27T93.5Very high90.4Very high32 Ų3250.6 Ų50.620%0.19629%0.287CS..EExtended strand (participates in β ladder)trans-130.5155.9177.169.20000111D25 I64D25-T27 WeakPolarHBondContact OD1-CA 3.3Å; D25-T27 WeakPolarHBondContact OD1-CB 3.32Å; D25-T27 PolarHBondContact OD1-N 3.4Å; D25-T27 PolarHBondContact OD1-OG1 3.27Å; D25-T27 PolarHBondContact OD2-OG1 3.04Å; T27-I64 CarbonylContact C-O 3.52Å; T27-I64 WeakPolarHBondContact CA-O 3.44Å
28I92.6Very high90.4Very high1 Ų155.4 Ų55.41%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-112.7117.7174.1-58.8163.6000108.4F17 F20 D21 E32 L33 T63 I64 F69F17-I28 HydrophobicContact CD2-CD1 3.45Å; F17-I28 VanDerWaalsContact CD2-CD1 3.45Å; F17-I28 HydrophobicContact CD2-CG1 4.11Å; F17-I28 HydrophobicContact CE2-CD1 3.33Å; F17-I28 HydrophobicContact CE2-CG1 3.6Å; F17-I28 HydrophobicContact CG-CD1 4.29Å; F17-I28 HydrophobicContact CZ-CD1 4.07Å; F17-I28 HydrophobicContact CZ-CG1 3.82Å; F20-I28 HydrophobicContact CB-CB 4.49Å; F20-I28 HydrophobicContact CB-CD1 3.39Å; F20-I28 HydrophobicContact CB-CG1 3.65Å; F20-I28 HydrophobicContact CB-CG2 4Å; F20-I28 HydrophobicContact CD2-CD1 4.37Å; F20-I28 HydrophobicContact CG-CD1 3.99Å; D21-I28 HydrophobicContact CB-CG1 4.38Å; I28-E32 HydrophobicContact CG2-CB 4.14Å; I28-L33 HydrophobicContact CG2-CB 4.04Å; I28-T63 WeakPolarHBondContact O-CA 3.49Å; I28-I64 HydrophobicContact CB-CB 4.25Å; I28-I64 PolarHBondContact N-O 3.42Å; I28-I64 PolarHBondContact O-N 2.82Å; I28-F69 HydrophobicContact CD1-CD2 3.71Å; I28-F69 HydrophobicContact CD1-CE2 4.09Å; I28-F69 HydrophobicContact CD1-CG 4.45Å
29T93.1Very high90.1Very high40 Ų4056.4 Ų56.425%0.24531%0.312CS..  trans-85.6163.617463.40000112.1K31 E32 L33 T63T29-K31 PolarHBondContact O-N 2.97Å; T29-K31 VanDerWaalsContact O-N 3.15Å; T29-E32 WeakPolarHBondContact CB-OE2 3.46Å; T29-E32 PolarHBondContact N-OE2 3.42Å; T29-E32 PolarHBondContact O-N 3.46Å; T29-E32 VanDerWaalsContact O-N 3.11Å; T29-E32 WeakPolarHBondContact OG1-CG 3.45Å; T29-E32 PolarHBondContact OG1-N 2.93Å; T29-E32 PolarHBondContact OG1-OE2 3.31Å; T29-L33 PolarHBondContact O-N 3.06Å; T29-T63 HydrophobicContact CG2-CG2 4.05Å
30T91.8Very high89.9Confident16 Ų1657 Ų5710%0.09832%0.315CS..Hα-helixtrans-54.6-35.917456.90000111.9G34 E46 L49 Q50 I53T30-G34 PolarHBondContact O-N 2.97Å; T30-E46 VanDerWaalsContact CB-OE1 3.26Å; T30-E46 WeakPolarHBondContact CB-OE1 3.41Å; T30-E46 PolarHBondContact OG1-OE1 3.43Å; T30-L49 HydrophobicContact CG2-CB 4.37Å; T30-Q50 HydrophobicContact CG2-CB 4.41Å; T30-I53 HydrophobicContact CG2-CD1 3.51Å; T30-I53 HydrophobicContact CG2-CG1 4.27Å; T30-I53 VanDerWaalsContact N-CD1 3.3Å
31K91.9Very high89.8Confident150 Ų15058.4 Ų58.465%0.65234%0.339SS*.Hα-helixtrans-66.3-41.4179.9-67.1179.1-176.2168.50112.4T29 T35T29-K31 PolarHBondContact O-N 2.97Å; T29-K31 VanDerWaalsContact O-N 3.15Å; K31-T35 WeakPolarHBondContact O-CB 3.5Å; K31-T35 PolarHBondContact O-N 3.08Å; K31-T35 PolarHBondContact O-OG1 3.11Å
32E93.1Very high89.6Confident14 Ų1463 Ų637%0.06536%0.36CS..Hα-helixtrans-70.4-48.2178.7-77.1169.9128.900111.1F20 K22 I28 T29 G34 T35 V36F20-E32 WeakPolarHBondContact O-CB 3.41Å; K22-E32 HydrophobicContact CB-CG 4.35Å; K22-E32 HydrophobicContact CG-CG 4.34Å; K22-E32 PolarHBondContact N-OE1 2.8Å; I28-E32 HydrophobicContact CG2-CB 4.14Å; T29-E32 WeakPolarHBondContact CB-OE2 3.46Å; T29-E32 PolarHBondContact N-OE2 3.42Å; T29-E32 PolarHBondContact O-N 3.46Å; T29-E32 VanDerWaalsContact O-N 3.11Å; T29-E32 WeakPolarHBondContact OG1-CG 3.45Å; T29-E32 PolarHBondContact OG1-N 2.93Å; T29-E32 PolarHBondContact OG1-OE2 3.31Å; E32-G34 VanDerWaalsContact C-N 3.29Å; E32-G34 PolarHBondContact O-N 2.77Å; E32-T35 WeakPolarHBondContact O-CB 3.35Å; E32-T35 PolarHBondContact O-N 3.45Å; E32-V36 PolarHBondContact O-N 3.39Å
33L90.2Very high89.8Confident16 Ų1663.3 Ų63.38%0.08437%0.368CS..Hα-helixtrans-54.2-48.2172.6-177.161.3000111F20 I28 T29 T35 V36 M37 L49 M52 I53F20-L33 HydrophobicContact CD1-CD1 3.94Å; F20-L33 HydrophobicContact CE1-CD1 3.85Å; I28-L33 HydrophobicContact CG2-CB 4.04Å; T29-L33 PolarHBondContact O-N 3.06Å; L33-T35 VanDerWaalsContact C-N 3.29Å; L33-T35 PolarHBondContact O-N 3.18Å; L33-V36 PolarHBondContact O-N 3.02Å; L33-M37 HydrophobicContact CD1-CG 4.41Å; L33-M37 HydrophobicContact CG-CG 4.5Å; L33-M37 WeakPolarHBondContact O-CB 3.4Å; L33-M37 VanDerWaalsContact O-CG 3.27Å; L33-M37 WeakPolarHBondContact O-CG 3.45Å; L33-M37 PolarHBondContact O-N 3.34Å; L33-L49 HydrophobicContact CB-CD2 4.13Å; L33-L49 HydrophobicContact CD2-CD2 3.86Å; L33-L49 HydrophobicContact CG-CD2 3.69Å; L33-M52 HydrophobicContact CD2-CB 4Å; L33-M52 HydrophobicContact CD2-SD 4.34Å; L33-I53 HydrophobicContact CD2-CG1 4.15Å
34G90.8Very high89.7Confident0 Ų058.6 Ų58.60%034%0.344CS..Hα-helixtrans-62.8-34.1177.300000113.4T30 E32 R38T30-G34 PolarHBondContact O-N 2.97Å; E32-G34 VanDerWaalsContact C-N 3.29Å; E32-G34 PolarHBondContact O-N 2.77Å; G34-R38 VanDerWaalsContact C-CZ 3.45Å; G34-R38 VanDerWaalsContact C-NH2 3.31Å; G34-R38 WeakPolarHBondContact O-CB 3.43Å; G34-R38 VanDerWaalsContact O-CG 3.28Å; G34-R38 WeakPolarHBondContact O-CG 3.39Å; G34-R38 PolarHBondContact O-N 3.09Å; G34-R38 PolarHBondContact O-NE 2.92Å; G34-R38 PolarHBondContact O-NH2 3.31Å
35T90.8Very high89.9Confident69 Ų6959.4 Ų59.442%0.42334%0.337SS..Hα-helixtrans-67.7-43.4177.2-62.60000111K31 E32 L33 S39K31-T35 WeakPolarHBondContact O-CB 3.5Å; K31-T35 PolarHBondContact O-N 3.08Å; K31-T35 PolarHBondContact O-OG1 3.11Å; E32-T35 WeakPolarHBondContact O-CB 3.35Å; E32-T35 PolarHBondContact O-N 3.45Å; L33-T35 VanDerWaalsContact C-N 3.29Å; L33-T35 PolarHBondContact O-N 3.18Å; T35-S39 PolarHBondContact O-N 2.92Å
36V87.7Confident89.9Confident12 Ų1259.9 Ų59.97%0.07334%0.336CS..Hα-helixtrans-65.6-48.6175.1178.60000111.1L19 F20 E32 L33 R38 S39 L40L19-V36 VanDerWaalsContact O-CG2 3.29Å; L19-V36 WeakPolarHBondContact O-CG2 3.13Å; F20-V36 HydrophobicContact CB-CG2 4.39Å; F20-V36 HydrophobicContact CD1-CB 3.65Å; F20-V36 HydrophobicContact CD1-CG1 3.82Å; F20-V36 HydrophobicContact CD1-CG2 3.6Å; F20-V36 HydrophobicContact CE1-CB 3.7Å; F20-V36 HydrophobicContact CE1-CG1 3.42Å; F20-V36 VanDerWaalsContact CE1-CG1 3.42Å; F20-V36 HydrophobicContact CE1-CG2 4.13Å; F20-V36 HydrophobicContact CG-CG2 4.12Å; F20-V36 HydrophobicContact CZ-CG1 3.95Å; E32-V36 PolarHBondContact O-N 3.39Å; L33-V36 PolarHBondContact O-N 3.02Å; V36-R38 VanDerWaalsContact C-N 3.27Å; V36-R38 PolarHBondContact O-N 2.82Å; V36-S39 WeakPolarHBondContact O-CA 3.2Å; V36-S39 WeakPolarHBondContact O-CB 3.49Å; V36-S39 PolarHBondContact O-N 3.26Å; V36-S39 PolarHBondContact O-OG 2.74Å; V36-L40 HydrophobicContact CG1-CD1 4.28Å; V36-L40 PolarHBondContact O-N 2.96Å
37M86.9Confident89.9Confident43 Ų4361.3 Ų61.321%0.21235%0.345CS..Hα-helixtrans-56.5-41.9178.4-72.3-70.4-81.400112L33 S39 L40 G41 Q42 P44 M52L33-M37 HydrophobicContact CD1-CG 4.41Å; L33-M37 HydrophobicContact CG-CG 4.5Å; L33-M37 WeakPolarHBondContact O-CB 3.4Å; L33-M37 VanDerWaalsContact O-CG 3.27Å; L33-M37 WeakPolarHBondContact O-CG 3.45Å; L33-M37 PolarHBondContact O-N 3.34Å; M37-S39 PolarHBondContact O-N 3.23Å; M37-L40 PolarHBondContact O-N 3.08Å; M37-G41 PolarHBondContact O-N 3.33Å; M37-Q42 HydrophobicContact CB-CB 4.28Å; M37-Q42 HydrophobicContact CE-CB 4.13Å; M37-Q42 HydrophobicContact CE-CG 4.1Å; M37-Q42 VanDerWaalsContact O-CB 3.3Å; M37-Q42 WeakPolarHBondContact O-CB 3.29Å; M37-Q42 PolarHBondContact O-N 3.35Å; M37-P44 HydrophobicContact CB-CG 3.64Å; M37-P44 HydrophobicContact CE-CG 4.49Å; M37-P44 HydrophobicContact CG-CG 4.22Å; M37-M52 HydrophobicContact CE-CE 4.25Å; M37-M52 HydrophobicContact CE-SD 4.34Å
38R88.3Confident89.7Confident112 Ų11264.3 Ų64.342%0.42336%0.357SS..Hα-helixtrans-65.1-34.8173.7-74.1-176.9-66-93.7-1.1113.8G34 V36 L40 G41 Q42G34-R38 VanDerWaalsContact C-CZ 3.45Å; G34-R38 VanDerWaalsContact C-NH2 3.31Å; G34-R38 WeakPolarHBondContact O-CB 3.43Å; G34-R38 VanDerWaalsContact O-CG 3.28Å; G34-R38 WeakPolarHBondContact O-CG 3.39Å; G34-R38 PolarHBondContact O-N 3.09Å; G34-R38 PolarHBondContact O-NE 2.92Å; G34-R38 PolarHBondContact O-NH2 3.31Å; V36-R38 VanDerWaalsContact C-N 3.27Å; V36-R38 PolarHBondContact O-N 2.82Å; R38-L40 VanDerWaalsContact C-N 3.26Å; R38-L40 PolarHBondContact O-N 3.12Å; R38-G41 PolarHBondContact O-N 2.96Å; R38-G41 VanDerWaalsContact O-N 3.15Å; R38-Q42 VanDerWaalsContact CA-O 3.25Å; R38-Q42 WeakPolarHBondContact CA-O 3.33Å
39S84.9Confident89.6Confident92 Ų9264.3 Ų64.364%0.64336%0.357SS*.Hα-helixtrans-67.5-27.2174.578.40000113.1T35 V36 M37 G41T35-S39 PolarHBondContact O-N 2.92Å; V36-S39 WeakPolarHBondContact O-CA 3.2Å; V36-S39 WeakPolarHBondContact O-CB 3.49Å; V36-S39 PolarHBondContact O-N 3.26Å; V36-S39 PolarHBondContact O-OG 2.74Å; M37-S39 PolarHBondContact O-N 3.23Å; S39-G41 PolarHBondContact O-N 3.41Å
40L83.6Confident89.5Confident120 Ų12065.5 Ų65.563%0.62836%0.359SS*.THydrogen-bonded Turntrans-83.45.6173.7-61.9175.8000113.2V36 M37 R38 Q42V36-L40 HydrophobicContact CG1-CD1 4.28Å; V36-L40 PolarHBondContact O-N 2.96Å; M37-L40 PolarHBondContact O-N 3.08Å; R38-L40 VanDerWaalsContact C-N 3.26Å; R38-L40 PolarHBondContact O-N 3.12Å; L40-Q42 VanDerWaalsContact C-N 3.31Å; L40-Q42 PolarHBondContact O-N 3.36Å
41G85.1Confident89.4Confident66 Ų6669.6 Ų69.668%0.6838%0.38SS*.THydrogen-bonded Turntrans80.95.7-179.900000114.8M37 R38 S39M37-G41 PolarHBondContact O-N 3.33Å; R38-G41 PolarHBondContact O-N 2.96Å; R38-G41 VanDerWaalsContact O-N 3.15Å; S39-G41 PolarHBondContact O-N 3.41Å
42Q87Confident89.2Confident113 Ų11365.1 Ų65.153%0.52836%0.363SS..  trans-79.1161.2169.1-55-60.5-5000109.9M37 R38 L40M37-Q42 HydrophobicContact CB-CB 4.28Å; M37-Q42 HydrophobicContact CE-CB 4.13Å; M37-Q42 HydrophobicContact CE-CG 4.1Å; M37-Q42 VanDerWaalsContact O-CB 3.3Å; M37-Q42 WeakPolarHBondContact O-CB 3.29Å; M37-Q42 PolarHBondContact O-N 3.35Å; R38-Q42 VanDerWaalsContact CA-O 3.25Å; R38-Q42 WeakPolarHBondContact CA-O 3.33Å; L40-Q42 VanDerWaalsContact C-N 3.31Å; L40-Q42 PolarHBondContact O-N 3.36Å
43N91.1Very high89Confident133 Ų13364.4 Ų64.471%0.71136%0.359SS*.  trans-137.268.1172.2-172.360.7000110.8
44P89.8Confident88.9Confident14 Ų1467.8 Ų67.89%0.09138%0.378CS..  trans-69.7144.8-179.931.7-36.1000110.9M37 E48 L49 M52M37-P44 HydrophobicContact CB-CG 3.64Å; M37-P44 HydrophobicContact CE-CG 4.49Å; M37-P44 HydrophobicContact CG-CG 4.22Å; P44-E48 WeakPolarHBondContact CA-OE2 3.39Å; P44-E48 HydrophobicContact CB-CB 4.32Å; P44-L49 HydrophobicContact CB-CD2 4.09Å; P44-L49 HydrophobicContact CB-CG 4.03Å; P44-L49 HydrophobicContact CG-CD1 4.24Å; P44-L49 HydrophobicContact CG-CD2 3.73Å; P44-L49 HydrophobicContact CG-CG 3.99Å; P44-M52 HydrophobicContact CB-CE 4.1Å
45T92.4Very high88.7Confident76 Ų7675 Ų7547%0.46641%0.411SS..  trans-74.3160.7169.463.30000110.7A47 E48 L49T45-A47 PolarHBondContact O-N 2.93Å; T45-E48 WeakPolarHBondContact CB-OE2 3.32Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.31Å; T45-E48 PolarHBondContact N-OE2 2.8Å; T45-E48 PolarHBondContact O-N 3.4Å; T45-E48 WeakPolarHBondContact OG1-CG 3.28Å; T45-E48 PolarHBondContact OG1-N 3.39Å; T45-E48 PolarHBondContact OG1-OE2 3.49Å; T45-L49 WeakPolarHBondContact O-CG 3.18Å; T45-L49 PolarHBondContact O-N 2.92Å
46E91.9Very high88.4Confident106 Ų10672.7 Ų72.750%0.49540%0.397SS..Hα-helixtrans-59.7-33.8176.4-16665.9-159.800112T30 L49 Q50T30-E46 VanDerWaalsContact CB-OE1 3.26Å; T30-E46 WeakPolarHBondContact CB-OE1 3.41Å; T30-E46 PolarHBondContact OG1-OE1 3.43Å; E46-L49 PolarHBondContact O-N 2.94Å; E46-Q50 WeakPolarHBondContact O-CB 3.47Å; E46-Q50 PolarHBondContact O-N 3.1Å
47A91.8Very high88.5Confident63 Ų6373 Ų7352%0.52140%0.398SS..Hα-helixtrans-65.3-46.6176.600000111.5T45 L49 Q50 D51T45-A47 PolarHBondContact O-N 2.93Å; A47-L49 VanDerWaalsContact C-N 3.3Å; A47-L49 PolarHBondContact O-N 3.02Å; A47-Q50 PolarHBondContact O-N 3.49Å; A47-D51 WeakPolarHBondContact O-CB 3.38Å; A47-D51 VanDerWaalsContact O-CG 3.28Å; A47-D51 PolarHBondContact O-N 2.88Å
48E89.8Confident88.4Confident95 Ų9575.4 Ų75.444%0.44443%0.425SS..Hα-helixtrans-62.4-38.3176.3-70.9162.7138.300111.7P44 T45 D51 M52P44-E48 WeakPolarHBondContact CA-OE2 3.39Å; P44-E48 HydrophobicContact CB-CB 4.32Å; T45-E48 WeakPolarHBondContact CB-OE2 3.32Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.31Å; T45-E48 PolarHBondContact N-OE2 2.8Å; T45-E48 PolarHBondContact O-N 3.4Å; T45-E48 WeakPolarHBondContact OG1-CG 3.28Å; T45-E48 PolarHBondContact OG1-N 3.39Å; T45-E48 PolarHBondContact OG1-OE2 3.49Å; E48-D51 PolarHBondContact O-N 3.27Å; E48-M52 HydrophobicContact CB-CE 4.05Å; E48-M52 VanDerWaalsContact O-CE 3.27Å; E48-M52 WeakPolarHBondContact O-CE 3.48Å; E48-M52 VanDerWaalsContact O-CG 3.3Å; E48-M52 WeakPolarHBondContact O-CG 3.46Å; E48-M52 PolarHBondContact O-N 3.42Å
49L90.2Very high88.5Confident1 Ų174.9 Ų74.91%0.00543%0.43CS..Hα-helixtrans-66.2-42.4175.9-68.9167000111.9T30 L33 P44 T45 E46 A47 D51 M52 I53T30-L49 HydrophobicContact CG2-CB 4.37Å; L33-L49 HydrophobicContact CB-CD2 4.13Å; L33-L49 HydrophobicContact CD2-CD2 3.86Å; L33-L49 HydrophobicContact CG-CD2 3.69Å; P44-L49 HydrophobicContact CB-CD2 4.09Å; P44-L49 HydrophobicContact CB-CG 4.03Å; P44-L49 HydrophobicContact CG-CD1 4.24Å; P44-L49 HydrophobicContact CG-CD2 3.73Å; P44-L49 HydrophobicContact CG-CG 3.99Å; T45-L49 WeakPolarHBondContact O-CG 3.18Å; T45-L49 PolarHBondContact O-N 2.92Å; E46-L49 PolarHBondContact O-N 2.94Å; A47-L49 VanDerWaalsContact C-N 3.3Å; A47-L49 PolarHBondContact O-N 3.02Å; L49-D51 VanDerWaalsContact C-N 3.35Å; L49-M52 HydrophobicContact CD2-CE 4.14Å; L49-M52 PolarHBondContact O-N 3.29Å; L49-I53 WeakPolarHBondContact O-CG1 3.47Å; L49-I53 PolarHBondContact O-N 2.96Å
50Q91.3Very high88.6Confident65 Ų6573.3 Ų73.330%0.30443%0.429SS..Hα-helixtrans-65.7-40.5177-171.163.160.200111.3T30 E46 A47 M52 I53 N54T30-Q50 HydrophobicContact CG2-CB 4.41Å; E46-Q50 WeakPolarHBondContact O-CB 3.47Å; E46-Q50 PolarHBondContact O-N 3.1Å; A47-Q50 PolarHBondContact O-N 3.49Å; Q50-M52 VanDerWaalsContact C-N 3.34Å; Q50-I53 PolarHBondContact O-N 2.93Å; Q50-N54 PolarHBondContact NE2-OD1 3.33Å; Q50-N54 WeakPolarHBondContact O-CB 3.35Å; Q50-N54 PolarHBondContact O-N 3.4Å; Q50-N54 PolarHBondContact O-ND2 3.13Å; Q50-N54 PolarHBondContact O-OD1 2.85Å
51D89.2Confident89Confident101 Ų10171.3 Ų71.354%0.5442%0.419SS..Hα-helixtrans-61.6-44.4175.6-71.2-20.8000110.6A47 E48 L49 I53 N54 E55A47-D51 WeakPolarHBondContact O-CB 3.38Å; A47-D51 VanDerWaalsContact O-CG 3.28Å; A47-D51 PolarHBondContact O-N 2.88Å; E48-D51 PolarHBondContact O-N 3.27Å; L49-D51 VanDerWaalsContact C-N 3.35Å; D51-I53 VanDerWaalsContact C-N 3.31Å; D51-I53 PolarHBondContact O-N 3.45Å; D51-N54 PolarHBondContact O-N 3.47Å; D51-E55 WeakPolarHBondContact O-CG 3.2Å; D51-E55 PolarHBondContact O-N 3.21Å
52M87.3Confident89.2Confident56 Ų5669.5 Ų69.528%0.27640%0.4SS..Hα-helixtrans-58.8-40.2174.3-75.4-179.4-110.900112.8L33 M37 P44 E48 L49 Q50L33-M52 HydrophobicContact CD2-CB 4Å; L33-M52 HydrophobicContact CD2-SD 4.34Å; M37-M52 HydrophobicContact CE-CE 4.25Å; M37-M52 HydrophobicContact CE-SD 4.34Å; P44-M52 HydrophobicContact CB-CE 4.1Å; E48-M52 HydrophobicContact CB-CE 4.05Å; E48-M52 VanDerWaalsContact O-CE 3.27Å; E48-M52 WeakPolarHBondContact O-CE 3.48Å; E48-M52 VanDerWaalsContact O-CG 3.3Å; E48-M52 WeakPolarHBondContact O-CG 3.46Å; E48-M52 PolarHBondContact O-N 3.42Å; L49-M52 HydrophobicContact CD2-CE 4.14Å; L49-M52 PolarHBondContact O-N 3.29Å; Q50-M52 VanDerWaalsContact C-N 3.34Å
53I89.8Confident89.5Confident0 Ų065.3 Ų65.30%038%0.382CS..Hα-helixtrans-67.2-49.6175.5-69.2-166.5000110.5T30 L33 L49 Q50 D51 E55 V56 D57 I64T30-I53 HydrophobicContact CG2-CD1 3.51Å; T30-I53 HydrophobicContact CG2-CG1 4.27Å; T30-I53 VanDerWaalsContact N-CD1 3.3Å; L33-I53 HydrophobicContact CD2-CG1 4.15Å; L49-I53 WeakPolarHBondContact O-CG1 3.47Å; L49-I53 PolarHBondContact O-N 2.96Å; Q50-I53 PolarHBondContact O-N 2.93Å; D51-I53 VanDerWaalsContact C-N 3.31Å; D51-I53 PolarHBondContact O-N 3.45Å; I53-E55 PolarHBondContact O-N 3.4Å; I53-E55 VanDerWaalsContact O-N 3.11Å; I53-V56 PolarHBondContact O-N 3.46Å; I53-D57 HydrophobicContact CG2-CB 3.96Å; I53-D57 WeakPolarHBondContact O-CB 3.31Å; I53-D57 PolarHBondContact O-N 2.83Å; I53-I64 HydrophobicContact CB-CD1 4.49Å; I53-I64 HydrophobicContact CB-CG1 4.34Å; I53-I64 HydrophobicContact CG1-CD1 3.92Å; I53-I64 HydrophobicContact CG1-CG1 4.02Å; I53-I64 HydrophobicContact CG2-CG1 4.12Å
54N88.4Confident89.5Confident87 Ų8759.1 Ų59.147%0.46535%0.349SS..Hα-helixtrans-59.6-26-177.7-66.8-17.6000113.4Q50 D51 V56Q50-N54 PolarHBondContact NE2-OD1 3.33Å; Q50-N54 WeakPolarHBondContact O-CB 3.35Å; Q50-N54 PolarHBondContact O-N 3.4Å; Q50-N54 PolarHBondContact O-ND2 3.13Å; Q50-N54 PolarHBondContact O-OD1 2.85Å; D51-N54 PolarHBondContact O-N 3.47Å; N54-V56 PolarHBondContact O-N 2.84Å
55E86Confident89.7Confident151 Ų15160.6 Ų60.671%0.70636%0.356SS*.THydrogen-bonded Turntrans-67.6-22.5175.8-77.1-172.8141.800113.5D51 I53D51-E55 WeakPolarHBondContact O-CG 3.2Å; D51-E55 PolarHBondContact O-N 3.21Å; I53-E55 PolarHBondContact O-N 3.4Å; I53-E55 VanDerWaalsContact O-N 3.11Å
56V85Confident89.5Confident21 Ų2159.2 Ų59.213%0.12734%0.344CS..THydrogen-bonded Turntrans-119.6-31.3-171.1-167.30000112.2I53 N54 A58 I64 E68 M72I53-V56 PolarHBondContact O-N 3.46Å; N54-V56 PolarHBondContact O-N 2.84Å; V56-A58 PolarHBondContact O-N 2.99Å; V56-I64 HydrophobicContact CG1-CG2 4.39Å; V56-E68 VanDerWaalsContact CG1-C 3.47Å; V56-E68 HydrophobicContact CG1-CB 3.9Å; V56-E68 WeakPolarHBondContact CG1-O 3.34Å; V56-M72 HydrophobicContact CB-CB 4.44Å; V56-M72 HydrophobicContact CG1-CB 3.69Å; V56-M72 HydrophobicContact CG2-CB 3.77Å; V56-M72 HydrophobicContact CG2-CG 3.83Å; V56-M72 HydrophobicContact CG2-SD 3.86Å
57D89.5Confident89.3Confident19 Ų1957.8 Ų57.810%0.10234%0.344CS..  trans-6090.7176.3179.112.8000110.4I53 G60 N61 G62I53-D57 HydrophobicContact CG2-CB 3.96Å; I53-D57 WeakPolarHBondContact O-CB 3.31Å; I53-D57 PolarHBondContact O-N 2.83Å; D57-G60 VanDerWaalsContact CG-CA 3.49Å; D57-G60 WeakPolarHBondContact OD1-CA 3.39Å; D57-G60 PolarHBondContact OD1-N 3.23Å; D57-G60 VanDerWaalsContact OD2-C 3.27Å; D57-G60 VanDerWaalsContact OD2-CA 3.29Å; D57-G60 WeakPolarHBondContact OD2-CA 3.45Å; D57-N61 PolarHBondContact OD1-N 3.34Å; D57-N61 PolarHBondContact OD2-N 2.63Å; D57-G62 VanDerWaalsContact OD2-CA 3.29Å; D57-G62 WeakPolarHBondContact OD2-CA 3.34Å; D57-G62 PolarHBondContact OD2-N 3.17Å
58A85.3Confident89.2Confident93 Ų9355.4 Ų55.477%0.76932%0.322SS*.SBendtrans-83.6-26.1-17400000111.3V56 E68V56-A58 PolarHBondContact O-N 2.99Å; A58-E68 HydrophobicContact CB-CG 4.49Å; A58-E68 PolarHBondContact N-OE1 3.47Å
59D89.5Confident89.1Confident100 Ų10051 Ų5154%0.53530%0.301SS..SBendtrans-91.1-13.9177.180.70.8000113.5N61 E68D59-N61 VanDerWaalsContact CG-ND2 3.28Å; D59-N61 WeakPolarHBondContact OD1-CB 3.43Å; D59-N61 PolarHBondContact OD1-N 3.45Å; D59-N61 PolarHBondContact OD1-ND2 2.98Å; D59-N61 PolarHBondContact OD2-ND2 3.36Å; D59-E68 PolarHBondContact N-OE1 3Å
60G87.7Confident88.8Confident59 Ų5951.4 Ų51.461%0.60830%0.304SS*.  trans7723.4177.200000113.7D57 G62D57-G60 VanDerWaalsContact CG-CA 3.49Å; D57-G60 WeakPolarHBondContact OD1-CA 3.39Å; D57-G60 PolarHBondContact OD1-N 3.23Å; D57-G60 VanDerWaalsContact OD2-C 3.27Å; D57-G60 VanDerWaalsContact OD2-CA 3.29Å; D57-G60 WeakPolarHBondContact OD2-CA 3.45Å; G60-G62 VanDerWaalsContact C-N 3.3Å
61N90.9Very high88.3Confident78 Ų7850.4 Ų50.442%0.41730%0.302SS..SBendtrans-81.4-8.7-177.673.728.6000113.5D57 D59 T63D57-N61 PolarHBondContact OD1-N 3.34Å; D57-N61 PolarHBondContact OD2-N 2.63Å; D59-N61 VanDerWaalsContact CG-ND2 3.28Å; D59-N61 WeakPolarHBondContact OD1-CB 3.43Å; D59-N61 PolarHBondContact OD1-N 3.45Å; D59-N61 PolarHBondContact OD1-ND2 2.98Å; D59-N61 PolarHBondContact OD2-ND2 3.36Å; N61-T63 WeakPolarHBondContact OD1-CA 3.49Å; N61-T63 WeakPolarHBondContact OD1-CB 3.3Å; N61-T63 PolarHBondContact OD1-N 2.86Å; N61-T63 PolarHBondContact OD1-O 2.7Å; N61-T63 PolarHBondContact OD1-OG1 2.89Å
62G90.5Very high87.9Confident28 Ų2847.7 Ų47.729%0.28929%0.286SS..SBendtrans8312.9179.300000114.7D57 G60D57-G62 VanDerWaalsContact OD2-CA 3.29Å; D57-G62 WeakPolarHBondContact OD2-CA 3.34Å; D57-G62 PolarHBondContact OD2-N 3.17Å; G60-G62 VanDerWaalsContact C-N 3.3Å
63T92.5Very high87.5Confident26 Ų2647.6 Ų47.616%0.1629%0.286CS..SBendtrans-133.3166.7176.166.70000109.6I28 T29 N61I28-T63 WeakPolarHBondContact O-CA 3.49Å; T29-T63 HydrophobicContact CG2-CG2 4.05Å; N61-T63 WeakPolarHBondContact OD1-CA 3.49Å; N61-T63 WeakPolarHBondContact OD1-CB 3.3Å; N61-T63 PolarHBondContact OD1-N 2.86Å; N61-T63 PolarHBondContact OD1-O 2.7Å; N61-T63 PolarHBondContact OD1-OG1 2.89Å
64I91.8Very high86.6Confident3 Ų348.8 Ų48.82%0.01530%0.296CS..EExtended strand (participates in β ladder)trans-108.8114.5174.4-58.7172.5000108.2T27 I28 I53 V56 E68 F69T27-I64 CarbonylContact C-O 3.52Å; T27-I64 WeakPolarHBondContact CA-O 3.44Å; I28-I64 HydrophobicContact CB-CB 4.25Å; I28-I64 PolarHBondContact N-O 3.42Å; I28-I64 PolarHBondContact O-N 2.82Å; I53-I64 HydrophobicContact CB-CD1 4.49Å; I53-I64 HydrophobicContact CB-CG1 4.34Å; I53-I64 HydrophobicContact CG1-CD1 3.92Å; I53-I64 HydrophobicContact CG1-CG1 4.02Å; I53-I64 HydrophobicContact CG2-CG1 4.12Å; V56-I64 HydrophobicContact CG1-CG2 4.39Å; I64-E68 WeakPolarHBondContact CA-OE2 3.32Å; I64-E68 HydrophobicContact CG2-CB 3.84Å; I64-F69 HydrophobicContact CG2-CB 3.79Å
65D92.7Very high85.7Confident45 Ų4551.4 Ų51.424%0.24130%0.299CS..EExtended strand (participates in β ladder)trans-78.6170.9169.87915.8000112.1P67 E68 F69D65-P67 WeakPolarHBondContact OD1-CB 3.47Å; D65-P67 WeakPolarHBondContact OD1-CD 3.29Å; D65-P67 VanDerWaalsContact OD1-N 3.17Å; D65-E68 PolarHBondContact N-OE2 3.49Å; D65-E68 PolarHBondContact O-N 2.92Å; D65-E68 VanDerWaalsContact OD1-CB 3.28Å; D65-E68 WeakPolarHBondContact OD1-CB 3.34Å; D65-E68 VanDerWaalsContact OD1-CG 3.23Å; D65-E68 WeakPolarHBondContact OD1-CG 3.48Å; D65-E68 PolarHBondContact OD1-N 3.14Å; D65-F69 WeakPolarHBondContact O-CB 3.13Å; D65-F69 PolarHBondContact O-N 2.88Å
66F88.9Confident84.8Confident46 Ų4650.5 Ų50.520%0.20229%0.293CS..Hα-helixtrans-61.1-45.5-179.4-177.9-113.7000113.8I10 F13 K14 F17 E68 F69 L70I10-F66 HydrophobicContact CG2-CE1 4.34Å; I10-F66 HydrophobicContact CG2-CZ 4.23Å; F13-F66 HydrophobicContact CB-CE2 4.38Å; K14-F66 HydrophobicContact CB-CE2 3.98Å; K14-F66 HydrophobicContact CB-CZ 3.87Å; K14-F66 HydrophobicContact CG-CE2 4.37Å; K14-F66 HydrophobicContact CG-CZ 4.33Å; F17-F66 HydrophobicContact CB-CD2 3.84Å; F17-F66 HydrophobicContact CB-CE2 4.09Å; F17-F66 HydrophobicContact CD1-CD2 4.26Å; F17-F66 HydrophobicContact CD2-CB 4.4Å; F17-F66 AromaticContact CD2-CD2 3.85Å; F17-F66 HydrophobicContact CD2-CD2 3.85Å; F17-F66 HydrophobicContact CE1-CB 4.46Å; F17-F66 HydrophobicContact CE2-CB 4.2Å; F17-F66 HydrophobicContact CE2-CD2 4.47Å; F17-F66 AromaticContact CG-CD2 3.71Å; F17-F66 HydrophobicContact CG-CD2 3.71Å; F17-F66 HydrophobicContact CG-CE2 4.45Å; F17-F66 HydrophobicContact CZ-CB 4.24Å; F66-E68 VanDerWaalsContact C-N 3.33Å; F66-E68 PolarHBondContact O-N 3.45Å; F66-F69 PolarHBondContact O-N 3.38Å; F66-L70 HydrophobicContact CD1-CD1 4.02Å; F66-L70 HydrophobicContact CD1-CG 4.38Å; F66-L70 HydrophobicContact CD2-CG 4.46Å; F66-L70 HydrophobicContact CE1-CD1 3.55Å; F66-L70 HydrophobicContact CE1-CD2 4.42Å; F66-L70 HydrophobicContact CE1-CG 4.01Å; F66-L70 HydrophobicContact CE2-CD2 4.1Å; F66-L70 HydrophobicContact CE2-CG 4.06Å; F66-L70 HydrophobicContact CZ-CD1 3.83Å; F66-L70 HydrophobicContact CZ-CD2 3.83Å; F66-L70 HydrophobicContact CZ-CG 3.84Å; F66-L70 WeakPolarHBondContact O-CG 3.46Å; F66-L70 PolarHBondContact O-N 2.99Å
67P88.1Confident83.7Confident77 Ų7752.3 Ų52.350%0.530%0.301SS..Hα-helixtrans-53.3-41.6170.4-28.132.1000115.5D65 L70 T71D65-P67 WeakPolarHBondContact OD1-CB 3.47Å; D65-P67 WeakPolarHBondContact OD1-CD 3.29Å; D65-P67 VanDerWaalsContact OD1-N 3.17Å; P67-L70 PolarHBondContact O-N 3.15Å; P67-T71 PolarHBondContact O-N 3.43Å; P67-T71 PolarHBondContact O-OG1 3.47Å
68E88.9Confident82.3Confident12 Ų1258.3 Ų58.36%0.05633%0.326CS..Hα-helixtrans-66.6-47.2176.3-75.7173.5153.700110.3V56 A58 D59 I64 D65 F66 L70 T71 M72V56-E68 VanDerWaalsContact CG1-C 3.47Å; V56-E68 HydrophobicContact CG1-CB 3.9Å; V56-E68 WeakPolarHBondContact CG1-O 3.34Å; A58-E68 HydrophobicContact CB-CG 4.49Å; A58-E68 PolarHBondContact N-OE1 3.47Å; D59-E68 PolarHBondContact N-OE1 3Å; I64-E68 WeakPolarHBondContact CA-OE2 3.32Å; I64-E68 HydrophobicContact CG2-CB 3.84Å; D65-E68 PolarHBondContact N-OE2 3.49Å; D65-E68 PolarHBondContact O-N 2.92Å; D65-E68 VanDerWaalsContact OD1-CB 3.28Å; D65-E68 WeakPolarHBondContact OD1-CB 3.34Å; D65-E68 VanDerWaalsContact OD1-CG 3.23Å; D65-E68 WeakPolarHBondContact OD1-CG 3.48Å; D65-E68 PolarHBondContact OD1-N 3.14Å; F66-E68 VanDerWaalsContact C-N 3.33Å; F66-E68 PolarHBondContact O-N 3.45Å; E68-L70 VanDerWaalsContact C-N 3.31Å; E68-L70 PolarHBondContact O-N 3.44Å; E68-T71 CarbonylContact O-C 3.59Å; E68-T71 WeakPolarHBondContact O-CA 3.42Å; E68-T71 WeakPolarHBondContact O-CB 3.27Å; E68-T71 PolarHBondContact O-N 3.2Å; E68-M72 PolarHBondContact O-N 3.48Å
69F86.8Confident81.2Confident3 Ų359 Ų591%0.01332%0.317CS..Hα-helixtrans-57.4-43.3174-175.1-96.6000112.2F13 A16 F17 F20 I28 I64 D65 F66 T71 M72 M73F13-F69 HydrophobicContact CB-CE1 4.49Å; A16-F69 HydrophobicContact CB-CE1 4.37Å; A16-F69 HydrophobicContact CB-CZ 4.32Å; F17-F69 HydrophobicContact CB-CD1 4.17Å; F17-F69 HydrophobicContact CB-CE1 4.18Å; F17-F69 HydrophobicContact CD2-CB 3.62Å; F17-F69 AromaticContact CD2-CD1 3.84Å; F17-F69 HydrophobicContact CD2-CD1 3.84Å; F17-F69 AromaticContact CD2-CD2 3.99Å; F17-F69 HydrophobicContact CD2-CD2 3.99Å; F17-F69 HydrophobicContact CD2-CE1 4.49Å; F17-F69 AromaticContact CD2-CG 3.55Å; F17-F69 HydrophobicContact CD2-CG 3.55Å; F17-F69 HydrophobicContact CE2-CB 3.84Å; F17-F69 HydrophobicContact CE2-CG 4.22Å; F20-F69 AromaticContact CD2-CE2 3.82Å; F20-F69 HydrophobicContact CD2-CE2 3.82Å; F20-F69 AromaticContact CD2-CZ 4Å; F20-F69 HydrophobicContact CD2-CZ 4Å; F20-F69 AromaticContact CE2-CE2 3.83Å; F20-F69 HydrophobicContact CE2-CE2 3.83Å; F20-F69 AromaticContact CE2-CZ 3.85Å; F20-F69 HydrophobicContact CE2-CZ 3.85Å; I28-F69 HydrophobicContact CD1-CD2 3.71Å; I28-F69 HydrophobicContact CD1-CE2 4.09Å; I28-F69 HydrophobicContact CD1-CG 4.45Å; I64-F69 HydrophobicContact CG2-CB 3.79Å; D65-F69 WeakPolarHBondContact O-CB 3.13Å; D65-F69 PolarHBondContact O-N 2.88Å; F66-F69 PolarHBondContact O-N 3.38Å; F69-T71 VanDerWaalsContact C-N 3.3Å; F69-T71 PolarHBondContact O-N 3.43Å; F69-M72 HydrophobicContact CD2-CE 3.48Å; F69-M72 VanDerWaalsContact CD2-CE 3.48Å; F69-M72 HydrophobicContact CE2-CE 3.55Å; F69-M72 HydrophobicContact CG-CE 4.32Å; F69-M72 HydrophobicContact CZ-CE 4.44Å; F69-M72 WeakPolarHBondContact O-CB 3.28Å; F69-M72 PolarHBondContact O-N 2.84Å; F69-M73 HydrophobicContact CD1-CG 3.97Å; F69-M73 HydrophobicContact CE1-CG 3.59Å; F69-M73 HydrophobicContact CE1-SD 4.45Å; F69-M73 HydrophobicContact CE2-CG 4.42Å; F69-M73 HydrophobicContact CZ-CG 3.85Å; F69-M73 HydrophobicContact CZ-SD 4.14Å; F69-M73 WeakPolarHBondContact O-CG 3.05Å; F69-M73 PolarHBondContact O-N 3.49Å
70L84.8Confident79.7Confident10 Ų1057.7 Ų57.75%0.05231%0.312CS..Hα-helixtrans-61.7-39.4173.7-75.4179000111.6A2 L5 F13 F66 P67 E68 M72 M73 A74A2-L70 HydrophobicContact CB-CD1 4.3Å; L5-L70 HydrophobicContact CD1-CD2 3.93Å; F13-L70 HydrophobicContact CB-CD2 3.54Å; F13-L70 HydrophobicContact CD2-CD2 3.53Å; F13-L70 HydrophobicContact CG-CD2 3.83Å; F66-L70 HydrophobicContact CD1-CD1 4.02Å; F66-L70 HydrophobicContact CD1-CG 4.38Å; F66-L70 HydrophobicContact CD2-CG 4.46Å; F66-L70 HydrophobicContact CE1-CD1 3.55Å; F66-L70 HydrophobicContact CE1-CD2 4.42Å; F66-L70 HydrophobicContact CE1-CG 4.01Å; F66-L70 HydrophobicContact CE2-CD2 4.1Å; F66-L70 HydrophobicContact CE2-CG 4.06Å; F66-L70 HydrophobicContact CZ-CD1 3.83Å; F66-L70 HydrophobicContact CZ-CD2 3.83Å; F66-L70 HydrophobicContact CZ-CG 3.84Å; F66-L70 WeakPolarHBondContact O-CG 3.46Å; F66-L70 PolarHBondContact O-N 2.99Å; P67-L70 PolarHBondContact O-N 3.15Å; E68-L70 VanDerWaalsContact C-N 3.31Å; E68-L70 PolarHBondContact O-N 3.44Å; L70-M72 VanDerWaalsContact C-N 3.35Å; L70-M73 PolarHBondContact O-N 2.74Å; L70-A74 WeakPolarHBondContact O-CB 3.14Å; L70-A74 PolarHBondContact O-N 3.16Å
71T81.1Confident78.4Confident43 Ų4358.5 Ų58.526%0.26430%0.303SS..Hα-helixtrans-64.5-41.3176.9-59.30000111.1M1 P67 E68 F69 R75M1-T71 HydrophobicContact SD-CG2 4.2Å; P67-T71 PolarHBondContact O-N 3.43Å; P67-T71 PolarHBondContact O-OG1 3.47Å; E68-T71 CarbonylContact O-C 3.59Å; E68-T71 WeakPolarHBondContact O-CA 3.42Å; E68-T71 WeakPolarHBondContact O-CB 3.27Å; E68-T71 PolarHBondContact O-N 3.2Å; F69-T71 VanDerWaalsContact C-N 3.3Å; F69-T71 PolarHBondContact O-N 3.43Å; T71-R75 WeakPolarHBondContact O-CB 3.3Å; T71-R75 VanDerWaalsContact O-CG 3.3Å; T71-R75 WeakPolarHBondContact O-CG 3.17Å; T71-R75 PolarHBondContact O-N 3.41Å
72M81.2Confident77.5Confident44 Ų4456.9 Ų56.922%0.21730%0.298CS..Hα-helixtrans-61.7-51.2173.4-179.1-175.964.100111.8V56 E68 F69 L70 R75 K76V56-M72 HydrophobicContact CB-CB 4.44Å; V56-M72 HydrophobicContact CG1-CB 3.69Å; V56-M72 HydrophobicContact CG2-CB 3.77Å; V56-M72 HydrophobicContact CG2-CG 3.83Å; V56-M72 HydrophobicContact CG2-SD 3.86Å; E68-M72 PolarHBondContact O-N 3.48Å; F69-M72 HydrophobicContact CD2-CE 3.48Å; F69-M72 VanDerWaalsContact CD2-CE 3.48Å; F69-M72 HydrophobicContact CE2-CE 3.55Å; F69-M72 HydrophobicContact CG-CE 4.32Å; F69-M72 HydrophobicContact CZ-CE 4.44Å; F69-M72 WeakPolarHBondContact O-CB 3.28Å; F69-M72 PolarHBondContact O-N 2.84Å; L70-M72 VanDerWaalsContact C-N 3.35Å; M72-R75 PolarHBondContact O-N 2.59Å; M72-K76 PolarHBondContact O-N 3.43Å
73M78.6Confident77Confident54 Ų5460.2 Ų60.227%0.26631%0.306SS..Hα-helixtrans-67-38.8-177.5-68.9-59.3-69.600111.9F13 F69 L70 K76 M77F13-M73 HydrophobicContact CD1-CB 3.86Å; F13-M73 HydrophobicContact CD1-CE 3.92Å; F13-M73 HydrophobicContact CD1-CG 3.9Å; F13-M73 HydrophobicContact CE1-CB 3.53Å; F13-M73 HydrophobicContact CE1-CE 3.45Å; F13-M73 VanDerWaalsContact CE1-CE 3.45Å; F13-M73 HydrophobicContact CE1-CG 3.92Å; F13-M73 HydrophobicContact CE2-CB 4.34Å; F13-M73 HydrophobicContact CG-CB 4.44Å; F13-M73 HydrophobicContact CZ-CB 3.75Å; F13-M73 HydrophobicContact CZ-CE 4.48Å; F69-M73 HydrophobicContact CD1-CG 3.97Å; F69-M73 HydrophobicContact CE1-CG 3.59Å; F69-M73 HydrophobicContact CE1-SD 4.45Å; F69-M73 HydrophobicContact CE2-CG 4.42Å; F69-M73 HydrophobicContact CZ-CG 3.85Å; F69-M73 HydrophobicContact CZ-SD 4.14Å; F69-M73 WeakPolarHBondContact O-CG 3.05Å; F69-M73 PolarHBondContact O-N 3.49Å; L70-M73 PolarHBondContact O-N 2.74Å; M73-K76 PolarHBondContact O-N 2.9Å; M73-M77 WeakPolarHBondContact O-CB 3.37Å; M73-M77 PolarHBondContact O-N 2.77Å
74A71.4Confident76.4Confident25 Ų2564.1 Ų64.121%0.20732%0.322CS..Hα-helixtrans-65.4-38.1175.400000112.1L70 K78L70-A74 WeakPolarHBondContact O-CB 3.14Å; L70-A74 PolarHBondContact O-N 3.16Å; A74-K78 WeakPolarHBondContact O-CB 3.2Å; A74-K78 PolarHBondContact O-N 2.72Å
75R69.6Low75.9Confident143 Ų14370.2 Ų70.254%0.5435%0.35SS..Hα-helixtrans-62.9-49.5172.2-77.4179.6-176.7-1744.8111T71 M72 M77 K78 D79T71-R75 WeakPolarHBondContact O-CB 3.3Å; T71-R75 VanDerWaalsContact O-CG 3.3Å; T71-R75 WeakPolarHBondContact O-CG 3.17Å; T71-R75 PolarHBondContact O-N 3.41Å; M72-R75 PolarHBondContact O-N 2.59Å; R75-M77 PolarHBondContact O-N 3.25Å; R75-K78 PolarHBondContact O-N 2.8Å; R75-D79 VanDerWaalsContact O-CG 3.29Å; R75-D79 PolarHBondContact O-N 3.02Å
76K66.8Low75.6Confident132 Ų13269 Ų6957%0.57434%0.344SS*.Hα-helixtrans-65.1-38.1179.5-78.7-161177.9-70.50113.8M72 M73 D79 T80M72-K76 PolarHBondContact O-N 3.43Å; M73-K76 PolarHBondContact O-N 2.9Å; K76-D79 PolarHBondContact O-N 2.96Å; K76-T80 WeakPolarHBondContact O-CB 3.25Å; K76-T80 PolarHBondContact O-N 3.27Å; K76-T80 PolarHBondContact O-OG1 3.45Å
77M61.5Low75.6Confident59 Ų5970.6 Ų70.629%0.29135%0.349SS..Hα-helixtrans-60.3-50.9172.2-85.2-164.8135.100110.1F13 M73 R75 D79 T80 D81F13-M77 HydrophobicContact CE2-SD 4.18Å; F13-M77 HydrophobicContact CZ-CE 4.18Å; F13-M77 HydrophobicContact CZ-CG 4.2Å; F13-M77 HydrophobicContact CZ-SD 3.51Å; F13-M77 VanDerWaalsContact CZ-SD 3.51Å; M73-M77 WeakPolarHBondContact O-CB 3.37Å; M73-M77 PolarHBondContact O-N 2.77Å; R75-M77 PolarHBondContact O-N 3.25Å; M77-D79 VanDerWaalsContact C-N 3.26Å; M77-D79 PolarHBondContact O-N 2.95Å; M77-T80 PolarHBondContact O-N 3.21Å; M77-T80 VanDerWaalsContact O-N 3.16Å; M77-D81 VanDerWaalsContact O-CB 3.25Å; M77-D81 WeakPolarHBondContact O-CB 3.43Å; M77-D81 PolarHBondContact O-N 3.06Å
78K60.4Low75.7Confident145 Ų14573 Ų7363%0.6335%0.353SS*.Hα-helixtrans-56.6-41.9178.3-169.7-175.6178.2-167.90112A74 R75 S82A74-K78 WeakPolarHBondContact O-CB 3.2Å; A74-K78 PolarHBondContact O-N 2.72Å; R75-K78 PolarHBondContact O-N 2.8Å; K78-S82 WeakPolarHBondContact O-CB 3.27Å; K78-S82 PolarHBondContact O-N 2.63Å; K78-S82 PolarHBondContact O-OG 3.01Å
79D60.9Low75.7Confident107 Ų10774 Ų7457%0.57236%0.363SS*.Hα-helixtrans-69-42.1179-65.2-20.1000112.1R75 K76 M77 S82 E83R75-D79 VanDerWaalsContact O-CG 3.29Å; R75-D79 PolarHBondContact O-N 3.02Å; K76-D79 PolarHBondContact O-N 2.96Å; M77-D79 VanDerWaalsContact C-N 3.26Å; M77-D79 PolarHBondContact O-N 2.95Å; D79-S82 PolarHBondContact O-N 3.04Å; D79-E83 PolarHBondContact O-N 3.27Å
80T57.6Low75.9Confident73 Ų7374.4 Ų74.445%0.44837%0.365SS..Hα-helixtrans-69.6-47.5179.8-50.70000111.3K76 M77 S82 E83 E84K76-T80 WeakPolarHBondContact O-CB 3.25Å; K76-T80 PolarHBondContact O-N 3.27Å; K76-T80 PolarHBondContact O-OG1 3.45Å; M77-T80 PolarHBondContact O-N 3.21Å; M77-T80 VanDerWaalsContact O-N 3.16Å; T80-S82 PolarHBondContact O-N 3.3Å; T80-E83 PolarHBondContact O-N 3.26Å; T80-E83 VanDerWaalsContact O-N 3.14Å; T80-E84 PolarHBondContact O-N 3.34Å
81D62.4Low76.2Confident76 Ų7682.1 Ų82.141%0.40639%0.393SS..Hα-helixtrans-58.9-41.2175-65.4-21.9000109.5M77 E83 E84 E85M77-D81 VanDerWaalsContact O-CB 3.25Å; M77-D81 WeakPolarHBondContact O-CB 3.43Å; M77-D81 PolarHBondContact O-N 3.06Å; D81-E83 PolarHBondContact O-N 2.8Å; D81-E84 PolarHBondContact O-N 3.03Å; D81-E85 WeakPolarHBondContact O-CB 3.33Å; D81-E85 WeakPolarHBondContact O-CG 3.39Å; D81-E85 PolarHBondContact O-N 3.46Å
82S72Confident76.7Confident44 Ų4483.6 Ų83.631%0.30840%0.402SS..Hα-helixtrans-62.1-43.5175.3-61.50000112.1K78 D79 T80 I86K78-S82 WeakPolarHBondContact O-CB 3.27Å; K78-S82 PolarHBondContact O-N 2.63Å; K78-S82 PolarHBondContact O-OG 3.01Å; D79-S82 PolarHBondContact O-N 3.04Å; T80-S82 PolarHBondContact O-N 3.3Å; S82-I86 VanDerWaalsContact O-CB 3.29Å; S82-I86 WeakPolarHBondContact O-CB 3.48Å; S82-I86 VanDerWaalsContact O-CD1 3.28Å; S82-I86 WeakPolarHBondContact O-CD1 3.42Å; S82-I86 WeakPolarHBondContact O-CG1 3.48Å; S82-I86 PolarHBondContact O-N 2.94Å
83E78.7Confident77.2Confident98 Ų9882.8 Ų82.846%0.45840%0.398SS..Hα-helixtrans-67.5-42.8179.4-168.6-172.4154.800112.1D79 T80 D81 I86 R87D79-E83 PolarHBondContact O-N 3.27Å; T80-E83 PolarHBondContact O-N 3.26Å; T80-E83 VanDerWaalsContact O-N 3.14Å; D81-E83 PolarHBondContact O-N 2.8Å; E83-I86 PolarHBondContact O-N 3.48Å; E83-R87 VanDerWaalsContact O-CB 3.3Å; E83-R87 WeakPolarHBondContact O-CB 3.4Å; E83-R87 PolarHBondContact O-N 3.27Å; E83-R87 IonicContact OE1-CZ 3.66Å; E83-R87 IonicContact OE1-NH1 3.94Å; E83-R87 IonicContact OE1-NH2 2.63Å; E83-R87 PolarHBondContact OE1-NH2 3.35Å
84E79.4Confident77.9Confident108 Ų10881 Ų8151%0.50539%0.389SS..Hα-helixtrans-65.1-44.3175.8-69.7-165.1155.400111.6T80 D81 I86 R87 E88T80-E84 PolarHBondContact O-N 3.34Å; D81-E84 PolarHBondContact O-N 3.03Å; E84-I86 PolarHBondContact O-N 3.24Å; E84-R87 WeakPolarHBondContact O-CB 3.44Å; E84-R87 PolarHBondContact O-N 2.97Å; E84-E88 WeakPolarHBondContact O-CG 3.25Å; E84-E88 PolarHBondContact O-N 2.89Å
85E82.8Confident78.9Confident130 Ų13085.3 Ų85.361%0.60740%0.403SS*.Hα-helixtrans-59.9-45174.3-76.9178.3173.200111.7D81 R87 E88 A89D81-E85 WeakPolarHBondContact O-CB 3.33Å; D81-E85 WeakPolarHBondContact O-CG 3.39Å; D81-E85 PolarHBondContact O-N 3.46Å; E85-R87 VanDerWaalsContact C-N 3.31Å; E85-R87 PolarHBondContact O-N 2.96Å; E85-E88 PolarHBondContact O-N 3.35Å; E85-A89 WeakPolarHBondContact O-CB 3.41Å; E85-A89 PolarHBondContact O-N 2.84Å
86I86.8Confident80Confident21 Ų2183.6 Ų83.611%0.10841%0.405CS..Hα-helixtrans-63-40.6176.9-70.6163.8000110.3S82 E83 E84 A89 F90 F142 V143 M146 T147S82-I86 VanDerWaalsContact O-CB 3.29Å; S82-I86 WeakPolarHBondContact O-CB 3.48Å; S82-I86 VanDerWaalsContact O-CD1 3.28Å; S82-I86 WeakPolarHBondContact O-CD1 3.42Å; S82-I86 WeakPolarHBondContact O-CG1 3.48Å; S82-I86 PolarHBondContact O-N 2.94Å; E83-I86 PolarHBondContact O-N 3.48Å; E84-I86 PolarHBondContact O-N 3.24Å; I86-A89 PolarHBondContact O-N 2.97Å; I86-F90 WeakPolarHBondContact O-CB 3.28Å; I86-F90 PolarHBondContact O-N 3.31Å; I86-F142 HydrophobicContact CG2-CD1 3.81Å; I86-F142 HydrophobicContact CG2-CE1 3.97Å; I86-V143 HydrophobicContact CG2-CG2 3.73Å; I86-M146 HydrophobicContact CD1-CB 4.08Å; I86-M146 HydrophobicContact CG1-CB 4.06Å; I86-T147 HydrophobicContact CD1-CG2 3.94Å
87R88.2Confident81.2Confident79 Ų7980 Ų8030%0.29841%0.406SS..Hα-helixtrans-66.7-40.4177.3-176.2-179.1-66.5123.30.7112.6E83 E84 E85 F90 R91 Y139E83-R87 VanDerWaalsContact O-CB 3.3Å; E83-R87 WeakPolarHBondContact O-CB 3.4Å; E83-R87 PolarHBondContact O-N 3.27Å; E83-R87 IonicContact OE1-CZ 3.66Å; E83-R87 IonicContact OE1-NH1 3.94Å; E83-R87 IonicContact OE1-NH2 2.63Å; E83-R87 PolarHBondContact OE1-NH2 3.35Å; E84-R87 WeakPolarHBondContact O-CB 3.44Å; E84-R87 PolarHBondContact O-N 2.97Å; E85-R87 VanDerWaalsContact C-N 3.31Å; E85-R87 PolarHBondContact O-N 2.96Å; R87-F90 PolarHBondContact O-N 3.03Å; R87-R91 WeakPolarHBondContact O-CG 3.33Å; R87-R91 PolarHBondContact O-N 3.03Å; R87-R91 VanDerWaalsContact O-N 3.08Å; R87-Y139 HydrophobicContact CB-CE2 4.15Å; R87-Y139 HydrophobicContact CG-CE2 4.39Å
88E89.1Confident82.7Confident127 Ų12780.8 Ų80.859%0.59341%0.411SS*.Hα-helixtrans-65.7-43.7174-72.9-168.316400111.2E84 E85 F90 R91 V92E84-E88 WeakPolarHBondContact O-CG 3.25Å; E84-E88 PolarHBondContact O-N 2.89Å; E85-E88 PolarHBondContact O-N 3.35Å; E88-F90 VanDerWaalsContact C-N 3.34Å; E88-F90 PolarHBondContact O-N 3.04Å; E88-R91 PolarHBondContact O-N 3.4Å; E88-V92 WeakPolarHBondContact O-CG2 3.35Å; E88-V92 PolarHBondContact O-N 2.99Å
89A88.9Confident84.4Confident33 Ų3375.4 Ų75.427%0.27340%0.397SS..Hα-helixtrans-57.9-47.4173.800000111E85 I86 R91 V92 F93 F142E85-A89 WeakPolarHBondContact O-CB 3.41Å; E85-A89 PolarHBondContact O-N 2.84Å; I86-A89 PolarHBondContact O-N 2.97Å; A89-R91 VanDerWaalsContact C-N 3.32Å; A89-R91 PolarHBondContact O-N 3.42Å; A89-V92 WeakPolarHBondContact O-CA 3.27Å; A89-V92 WeakPolarHBondContact O-CB 3.45Å; A89-V92 PolarHBondContact O-N 3.47Å; A89-F93 WeakPolarHBondContact O-CD2 3.47Å; A89-F93 PolarHBondContact O-N 3.24Å; A89-F93 VanDerWaalsContact O-N 3.12Å; A89-F142 HydrophobicContact CB-CE1 4.1Å; A89-F142 HydrophobicContact CB-CZ 4.16Å
90F92.3Very high86Confident12 Ų1274.8 Ų74.85%0.05339%0.387CS..Hα-helixtrans-55.3-46.3176.6-170.9-91000111.7I86 R87 E88 V92 F93 D94 G99 I101 Y139 F142I86-F90 WeakPolarHBondContact O-CB 3.28Å; I86-F90 PolarHBondContact O-N 3.31Å; R87-F90 PolarHBondContact O-N 3.03Å; E88-F90 VanDerWaalsContact C-N 3.34Å; E88-F90 PolarHBondContact O-N 3.04Å; F90-V92 PolarHBondContact O-N 3.37Å; F90-F93 PolarHBondContact O-N 3.37Å; F90-F93 VanDerWaalsContact O-N 3.09Å; F90-D94 HydrophobicContact CD1-CB 4.21Å; F90-D94 HydrophobicContact CE1-CB 3.89Å; F90-D94 HydrophobicContact CZ-CB 4.5Å; F90-D94 WeakPolarHBondContact O-CB 3.3Å; F90-D94 PolarHBondContact O-N 3.23Å; F90-G99 VanDerWaalsContact CZ-O 3.3Å; F90-G99 WeakPolarHBondContact CZ-O 3.29Å; F90-I101 HydrophobicContact CD2-CD1 3.49Å; F90-I101 VanDerWaalsContact CD2-CD1 3.49Å; F90-I101 HydrophobicContact CD2-CG1 4.08Å; F90-I101 HydrophobicContact CE2-CD1 3.47Å; F90-I101 VanDerWaalsContact CE2-CD1 3.47Å; F90-I101 HydrophobicContact CE2-CG1 3.64Å; F90-I101 HydrophobicContact CG-CD1 4.33Å; F90-I101 HydrophobicContact CZ-CD1 4.3Å; F90-I101 HydrophobicContact CZ-CG1 3.99Å; F90-Y139 HydrophobicContact CB-CD2 4.15Å; F90-Y139 HydrophobicContact CB-CE2 4.47Å; F90-Y139 HydrophobicContact CD1-CD2 4.2Å; F90-Y139 HydrophobicContact CD2-CD2 4.11Å; F90-Y139 AromaticContact CG-CD2 3.87Å; F90-Y139 HydrophobicContact CG-CD2 3.87Å; F90-F142 HydrophobicContact CB-CD1 4.03Å; F90-F142 HydrophobicContact CB-CE1 4.13Å; F90-F142 HydrophobicContact CD2-CB 3.63Å; F90-F142 AromaticContact CD2-CD1 3.74Å; F90-F142 HydrophobicContact CD2-CD1 3.74Å; F90-F142 HydrophobicContact CD2-CD2 4.28Å; F90-F142 HydrophobicContact CD2-CE1 4.47Å; F90-F142 AromaticContact CD2-CG 3.63Å; F90-F142 HydrophobicContact CD2-CG 3.63Å; F90-F142 HydrophobicContact CE2-CB 3.9Å; F90-F142 HydrophobicContact CE2-CG 4.3Å; F90-F142 HydrophobicContact CG-CD1 4.4Å
91R91.5Very high87.8Confident171 Ų17171.4 Ų71.465%0.64537%0.366SS*.Hα-helixtrans-65.2-23.7175.5-71.3176.2-178.8168.83114R87 E88 A89R87-R91 WeakPolarHBondContact O-CG 3.33Å; R87-R91 PolarHBondContact O-N 3.03Å; R87-R91 VanDerWaalsContact O-N 3.08Å; E88-R91 PolarHBondContact O-N 3.4Å; A89-R91 VanDerWaalsContact C-N 3.32Å; A89-R91 PolarHBondContact O-N 3.42Å
92V91.4Very high89.3Confident74 Ų7469.2 Ų69.245%0.44836%0.357SS..Hα-helixtrans-73.3-36.8173.7171.20000110.3E88 A89 F90 K95 V109E88-V92 WeakPolarHBondContact O-CG2 3.35Å; E88-V92 PolarHBondContact O-N 2.99Å; A89-V92 WeakPolarHBondContact O-CA 3.27Å; A89-V92 WeakPolarHBondContact O-CB 3.45Å; A89-V92 PolarHBondContact O-N 3.47Å; F90-V92 PolarHBondContact O-N 3.37Å; V92-K95 WeakPolarHBondContact O-CE 3.38Å; V92-K95 PolarHBondContact O-NZ 3.25Å; V92-V109 HydrophobicContact CG1-CG1 4.28Å; V92-V109 WeakPolarHBondContact O-CG2 3.45Å
93F91.5Very high90.3Very high27 Ų2768.3 Ų68.312%0.11835%0.352CS..Hα-helixtrans-74.5-54.6175.5-73.3-77.4000112.5A89 F90 K95 I101 E105 L106 V109 F142A89-F93 WeakPolarHBondContact O-CD2 3.47Å; A89-F93 PolarHBondContact O-N 3.24Å; A89-F93 VanDerWaalsContact O-N 3.12Å; F90-F93 PolarHBondContact O-N 3.37Å; F90-F93 VanDerWaalsContact O-N 3.09Å; F93-K95 PolarHBondContact O-N 2.9Å; F93-I101 HydrophobicContact CB-CB 4.44Å; F93-I101 HydrophobicContact CB-CD1 3.45Å; F93-I101 VanDerWaalsContact CB-CD1 3.45Å; F93-I101 HydrophobicContact CB-CG1 3.64Å; F93-I101 HydrophobicContact CB-CG2 3.95Å; F93-I101 HydrophobicContact CD2-CD1 4.42Å; F93-I101 HydrophobicContact CG-CD1 4.08Å; F93-E105 WeakPolarHBondContact O-CB 3.14Å; F93-L106 HydrophobicContact CD1-CD1 3.93Å; F93-L106 HydrophobicContact CE1-CD1 3.59Å; F93-L106 HydrophobicContact CZ-CD1 4.43Å; F93-V109 HydrophobicContact CD1-CB 3.58Å; F93-V109 HydrophobicContact CD1-CG1 3.71Å; F93-V109 HydrophobicContact CD1-CG2 3.84Å; F93-V109 HydrophobicContact CE1-CB 3.55Å; F93-V109 HydrophobicContact CE1-CG1 3.34Å; F93-V109 HydrophobicContact CE1-CG2 4.3Å; F93-V109 HydrophobicContact CE2-CG1 4.49Å; F93-V109 HydrophobicContact CG-CG1 4.42Å; F93-V109 HydrophobicContact CG-CG2 4.44Å; F93-V109 HydrophobicContact CZ-CB 4.47Å; F93-V109 HydrophobicContact CZ-CG1 3.78Å; F93-F142 AromaticContact CD2-CE2 3.86Å; F93-F142 HydrophobicContact CD2-CE2 3.86Å; F93-F142 AromaticContact CD2-CZ 3.8Å; F93-F142 HydrophobicContact CD2-CZ 3.8Å; F93-F142 HydrophobicContact CE2-CE2 4.03Å; F93-F142 AromaticContact CE2-CZ 3.9Å; F93-F142 HydrophobicContact CE2-CZ 3.9Å
94D93.8Very high91Very high17 Ų1766 Ų669%0.09135%0.35CS..  trans-69.991.3176.8177.39.8000110.4F90 D96 G97 N98 G99 I101F90-D94 HydrophobicContact CD1-CB 4.21Å; F90-D94 HydrophobicContact CE1-CB 3.89Å; F90-D94 HydrophobicContact CZ-CB 4.5Å; F90-D94 WeakPolarHBondContact O-CB 3.3Å; F90-D94 PolarHBondContact O-N 3.23Å; D94-D96 VanDerWaalsContact OD1-OD1 3.11Å; D94-G97 WeakPolarHBondContact OD1-CA 3.41Å; D94-G97 PolarHBondContact OD1-N 3.11Å; D94-G97 WeakPolarHBondContact OD2-CA 3.23Å; D94-N98 PolarHBondContact OD1-N 3.41Å; D94-N98 VanDerWaalsContact OD1-N 3.12Å; D94-N98 PolarHBondContact OD2-N 3.27Å; D94-G99 WeakPolarHBondContact OD2-CA 3.27Å; D94-G99 PolarHBondContact OD2-N 3.03Å; D94-I101 HydrophobicContact CB-CG1 4.44Å
95K90.5Very high91.7Very high116 Ų11661.7 Ų61.750%0.50433%0.33SS..SBendtrans-81.8-32.1-173.9-73.4-56.9-171.1-152.20112.2V92 F93 E105V92-K95 WeakPolarHBondContact O-CE 3.38Å; V92-K95 PolarHBondContact O-NZ 3.25Å; F93-K95 PolarHBondContact O-N 2.9Å; K95-E105 HydrophobicContact CB-CG 4.4Å; K95-E105 PolarHBondContact N-OE1 2.87Å
96D93Very high92.1Very high106 Ų10656.1 Ų56.157%0.56730%0.304SS*.SBendtrans-85.9-14.1179.174.78.4000112.7D94 N98 E105D94-D96 VanDerWaalsContact OD1-OD1 3.11Å; D96-N98 VanDerWaalsContact CG-ND2 3.31Å; D96-N98 WeakPolarHBondContact OD1-CB 3.4Å; D96-N98 PolarHBondContact OD1-N 3.35Å; D96-N98 PolarHBondContact OD1-ND2 2.85Å; D96-N98 PolarHBondContact OD2-ND2 3.27Å; D96-E105 PolarHBondContact N-OE1 3.06Å
97G92.1Very high92.4Very high58 Ų5859.4 Ų59.460%0.59832%0.315SS*.  trans76.224.9176.200000113D94 G99D94-G97 WeakPolarHBondContact OD1-CA 3.41Å; D94-G97 PolarHBondContact OD1-N 3.11Å; D94-G97 WeakPolarHBondContact OD2-CA 3.23Å; G97-G99 VanDerWaalsContact C-N 3.3Å
98N94.3Very high92.5Very high75 Ų7560.2 Ų60.240%0.40132%0.322SS..SBendtrans-81.3-8.5-177.172.723.3000113.3D94 D96 Y100D94-N98 PolarHBondContact OD1-N 3.41Å; D94-N98 VanDerWaalsContact OD1-N 3.12Å; D94-N98 PolarHBondContact OD2-N 3.27Å; D96-N98 VanDerWaalsContact CG-ND2 3.31Å; D96-N98 WeakPolarHBondContact OD1-CB 3.4Å; D96-N98 PolarHBondContact OD1-N 3.35Å; D96-N98 PolarHBondContact OD1-ND2 2.85Å; D96-N98 PolarHBondContact OD2-ND2 3.27Å; N98-Y100 WeakPolarHBondContact OD1-CA 3.49Å; N98-Y100 VanDerWaalsContact OD1-CB 3.31Å; N98-Y100 WeakPolarHBondContact OD1-CB 3.29Å; N98-Y100 PolarHBondContact OD1-N 3.41Å; N98-Y100 PolarHBondContact OD1-O 2.87Å
99G94.3Very high92.5Very high32 Ų3254.5 Ų54.533%0.3330%0.296SS..SBendtrans92.78.5-178.500000114.9F90 D94 G97F90-G99 VanDerWaalsContact CZ-O 3.3Å; F90-G99 WeakPolarHBondContact CZ-O 3.29Å; D94-G99 WeakPolarHBondContact OD2-CA 3.27Å; D94-G99 PolarHBondContact OD2-N 3.03Å; G97-G99 VanDerWaalsContact C-N 3.3Å
100Y96Very high92.6Very high93 Ų9354.5 Ų54.537%0.36529%0.29SS..EExtended strand (participates in β ladder)trans-134.7150.2-178.9-60.5-94.6000110.4N98 Q136 V137 N138N98-Y100 WeakPolarHBondContact OD1-CA 3.49Å; N98-Y100 VanDerWaalsContact OD1-CB 3.31Å; N98-Y100 WeakPolarHBondContact OD1-CB 3.29Å; N98-Y100 PolarHBondContact OD1-N 3.41Å; N98-Y100 PolarHBondContact OD1-O 2.87Å; Y100-Q136 HydrophobicContact CD1-CB 4.29Å; Y100-V137 CarbonylContact C-O 3.11Å; Y100-V137 WeakPolarHBondContact CA-O 3.45Å; Y100-N138 HydrophobicContact CD1-CB 3.85Å; Y100-N138 HydrophobicContact CE1-CB 3.81Å
101I94.8Very high92.5Very high3 Ų357 Ų572%0.01531%0.307CS..EExtended strand (participates in β ladder)trans-105.3112.8172.2-59166.6000107.9F90 F93 D94 E105 L106 V137 F142F90-I101 HydrophobicContact CD2-CD1 3.49Å; F90-I101 VanDerWaalsContact CD2-CD1 3.49Å; F90-I101 HydrophobicContact CD2-CG1 4.08Å; F90-I101 HydrophobicContact CE2-CD1 3.47Å; F90-I101 VanDerWaalsContact CE2-CD1 3.47Å; F90-I101 HydrophobicContact CE2-CG1 3.64Å; F90-I101 HydrophobicContact CG-CD1 4.33Å; F90-I101 HydrophobicContact CZ-CD1 4.3Å; F90-I101 HydrophobicContact CZ-CG1 3.99Å; F93-I101 HydrophobicContact CB-CB 4.44Å; F93-I101 HydrophobicContact CB-CD1 3.45Å; F93-I101 VanDerWaalsContact CB-CD1 3.45Å; F93-I101 HydrophobicContact CB-CG1 3.64Å; F93-I101 HydrophobicContact CB-CG2 3.95Å; F93-I101 HydrophobicContact CD2-CD1 4.42Å; F93-I101 HydrophobicContact CG-CD1 4.08Å; D94-I101 HydrophobicContact CB-CG1 4.44Å; I101-E105 HydrophobicContact CG2-CB 4.38Å; I101-L106 HydrophobicContact CG2-CB 4.13Å; I101-V137 HydrophobicContact CB-CB 4.31Å; I101-V137 PolarHBondContact N-O 3.41Å; I101-V137 PolarHBondContact O-N 2.85Å; I101-F142 HydrophobicContact CD1-CD2 3.48Å; I101-F142 VanDerWaalsContact CD1-CD2 3.48Å; I101-F142 HydrophobicContact CD1-CE2 3.8Å; I101-F142 HydrophobicContact CD1-CG 4.08Å
102S94.5Very high92.3Very high29 Ų2954 Ų5420%0.20330%0.303CS..  trans-79.1157.6172.465.90000112A104 E105 L106S102-A104 PolarHBondContact O-N 3.5Å; S102-A104 VanDerWaalsContact O-N 3.16Å; S102-E105 WeakPolarHBondContact CB-OE2 3.49Å; S102-E105 PolarHBondContact N-OE2 2.94Å; S102-E105 WeakPolarHBondContact O-CB 3.37Å; S102-E105 PolarHBondContact O-N 3.33Å; S102-E105 WeakPolarHBondContact OG-CG 3.46Å; S102-E105 PolarHBondContact OG-N 2.71Å; S102-E105 PolarHBondContact OG-OE2 2.93Å; S102-L106 PolarHBondContact O-N 2.74Å
103A92.8Very high92.1Very high25 Ų2556.3 Ų56.321%0.20731%0.313CS..Hα-helixtrans-52.7-36.517100000112.5R107 V122 I126A103-R107 WeakPolarHBondContact O-CB 3.42Å; A103-R107 PolarHBondContact O-N 3.4Å; A103-V122 HydrophobicContact CB-CG1 3.81Å; A103-V122 VanDerWaalsContact O-CG1 3.32Å; A103-V122 WeakPolarHBondContact O-CG1 3.48Å; A103-I126 HydrophobicContact CB-CG1 4.15Å
104A92.8Very high91.9Very high51 Ų5157.8 Ų57.842%0.42134%0.336SS..Hα-helixtrans-66.3-39.6178.800000112.6S102 H108S102-A104 PolarHBondContact O-N 3.5Å; S102-A104 VanDerWaalsContact O-N 3.16Å; A104-H108 WeakPolarHBondContact O-CB 3.39Å; A104-H108 PolarHBondContact O-N 2.85Å
105E94Very high91.7Very high17 Ų1762.4 Ų62.48%0.07936%0.357CS..Hα-helixtrans-70.2-45.9176.3-77.5165.9133.900112F93 K95 D96 I101 S102 R107 H108 V109F93-E105 WeakPolarHBondContact O-CB 3.14Å; K95-E105 HydrophobicContact CB-CG 4.4Å; K95-E105 PolarHBondContact N-OE1 2.87Å; D96-E105 PolarHBondContact N-OE1 3.06Å; I101-E105 HydrophobicContact CG2-CB 4.38Å; S102-E105 WeakPolarHBondContact CB-OE2 3.49Å; S102-E105 PolarHBondContact N-OE2 2.94Å; S102-E105 WeakPolarHBondContact O-CB 3.37Å; S102-E105 PolarHBondContact O-N 3.33Å; S102-E105 WeakPolarHBondContact OG-CG 3.46Å; S102-E105 PolarHBondContact OG-N 2.71Å; S102-E105 PolarHBondContact OG-OE2 2.93Å; E105-R107 VanDerWaalsContact C-N 3.33Å; E105-R107 PolarHBondContact O-N 3.11Å; E105-H108 WeakPolarHBondContact O-CB 3.45Å; E105-H108 PolarHBondContact O-N 3.35Å; E105-H108 VanDerWaalsContact O-N 3.12Å; E105-V109 PolarHBondContact O-N 3.27Å
106L92.4Very high91.6Very high12 Ų1265.5 Ų65.56%0.06337%0.37CS..Hα-helixtrans-54.9-50.9175.1-178.559.9000110.6F93 I101 S102 H108 V109 M110 V122 M125 I126F93-L106 HydrophobicContact CD1-CD1 3.93Å; F93-L106 HydrophobicContact CE1-CD1 3.59Å; F93-L106 HydrophobicContact CZ-CD1 4.43Å; I101-L106 HydrophobicContact CG2-CB 4.13Å; S102-L106 PolarHBondContact O-N 2.74Å; L106-H108 VanDerWaalsContact C-N 3.32Å; L106-H108 PolarHBondContact O-N 3.48Å; L106-V109 PolarHBondContact O-N 3.44Å; L106-M110 HydrophobicContact CD1-CG 4.14Å; L106-M110 WeakPolarHBondContact O-CB 3.12Å; L106-M110 VanDerWaalsContact O-CG 3.28Å; L106-M110 WeakPolarHBondContact O-CG 3.42Å; L106-M110 PolarHBondContact O-N 2.81Å; L106-V122 HydrophobicContact CB-CG1 4.41Å; L106-V122 HydrophobicContact CD2-CG1 4.18Å; L106-V122 HydrophobicContact CG-CG1 4.45Å; L106-M125 HydrophobicContact CD1-CE 4.35Å; L106-M125 HydrophobicContact CD2-CB 3.92Å; L106-M125 HydrophobicContact CD2-CE 4.28Å; L106-M125 HydrophobicContact CD2-SD 4.34Å; L106-I126 HydrophobicContact CB-CD1 4.47Å; L106-I126 HydrophobicContact CD2-CD1 3.73Å; L106-I126 HydrophobicContact CD2-CG1 4.01Å
107R91.4Very high91.4Very high90 Ų9062.1 Ų62.134%0.3435%0.352SS..Hα-helixtrans-58.8-43.2176.6-172.5179.359.8-120.8-16.5112.3A103 E105 T111 D119 V122A103-R107 WeakPolarHBondContact O-CB 3.42Å; A103-R107 PolarHBondContact O-N 3.4Å; E105-R107 VanDerWaalsContact C-N 3.33Å; E105-R107 PolarHBondContact O-N 3.11Å; R107-T111 VanDerWaalsContact O-CB 3.31Å; R107-T111 WeakPolarHBondContact O-CB 3.3Å; R107-T111 PolarHBondContact O-N 3.43Å; R107-T111 PolarHBondContact O-OG1 2.98Å; R107-D119 IonicContact CZ-OD1 3.85Å; R107-D119 IonicContact NH1-OD1 2.92Å; R107-D119 PolarHBondContact NH1-OD1 2.98Å; R107-V122 HydrophobicContact CB-CG1 4.38Å; R107-V122 HydrophobicContact CB-CG2 3.93Å; R107-V122 HydrophobicContact CG-CG2 4.17Å
108H90.9Very high91.4Very high96 Ų9663 Ų6344%0.44435%0.346SS..Hα-helixtrans-62.4-45.9-179.5-179.168.7000111.4A104 E105 L106 N112A104-H108 WeakPolarHBondContact O-CB 3.39Å; A104-H108 PolarHBondContact O-N 2.85Å; E105-H108 WeakPolarHBondContact O-CB 3.45Å; E105-H108 PolarHBondContact O-N 3.35Å; E105-H108 VanDerWaalsContact O-N 3.12Å; L106-H108 VanDerWaalsContact C-N 3.32Å; L106-H108 PolarHBondContact O-N 3.48Å; H108-N112 PolarHBondContact CD2-ND2 2.92Å; H108-N112 PolarHBondContact NE2-ND2 2.78Å; H108-N112 VanDerWaalsContact O-CG 3.32Å; H108-N112 PolarHBondContact O-N 2.88Å; H108-N112 VanDerWaalsContact O-N 3.11Å; H108-N112 PolarHBondContact O-ND2 2.89Å
109V90.3Very high91.2Very high7 Ų764 Ų644%0.04235%0.351CS..Hα-helixtrans-67.5-46.2178.7175.10000111.6V92 F93 E105 L106 T111 N112 L113V92-V109 HydrophobicContact CG1-CG1 4.28Å; V92-V109 WeakPolarHBondContact O-CG2 3.45Å; F93-V109 HydrophobicContact CD1-CB 3.58Å; F93-V109 HydrophobicContact CD1-CG1 3.71Å; F93-V109 HydrophobicContact CD1-CG2 3.84Å; F93-V109 HydrophobicContact CE1-CB 3.55Å; F93-V109 HydrophobicContact CE1-CG1 3.34Å; F93-V109 HydrophobicContact CE1-CG2 4.3Å; F93-V109 HydrophobicContact CE2-CG1 4.49Å; F93-V109 HydrophobicContact CG-CG1 4.42Å; F93-V109 HydrophobicContact CG-CG2 4.44Å; F93-V109 HydrophobicContact CZ-CB 4.47Å; F93-V109 HydrophobicContact CZ-CG1 3.78Å; E105-V109 PolarHBondContact O-N 3.27Å; L106-V109 PolarHBondContact O-N 3.44Å; V109-T111 VanDerWaalsContact C-N 3.28Å; V109-T111 PolarHBondContact O-N 2.89Å; V109-N112 WeakPolarHBondContact O-CA 3.42Å; V109-N112 WeakPolarHBondContact O-CB 3.26Å; V109-N112 PolarHBondContact O-N 3.13Å; V109-L113 HydrophobicContact CG1-CD1 4.15Å; V109-L113 HydrophobicContact CG1-CG 4.46Å; V109-L113 WeakPolarHBondContact O-CG 3.34Å; V109-L113 PolarHBondContact O-N 3.29Å
110M90Very high91.1Very high33 Ų3370.2 Ų70.216%0.16337%0.372CS..Hα-helixtrans-59.6-40.6178.1-68.3-60.7-76.800111.8L106 N112 L113 G114 E115 L117L106-M110 HydrophobicContact CD1-CG 4.14Å; L106-M110 WeakPolarHBondContact O-CB 3.12Å; L106-M110 VanDerWaalsContact O-CG 3.28Å; L106-M110 WeakPolarHBondContact O-CG 3.42Å; L106-M110 PolarHBondContact O-N 2.81Å; M110-N112 VanDerWaalsContact C-N 3.32Å; M110-N112 PolarHBondContact O-N 3.15Å; M110-L113 CarbonylContact O-C 3.6Å; M110-L113 WeakPolarHBondContact O-CB 3.01Å; M110-L113 PolarHBondContact O-N 2.8Å; M110-L113 VanDerWaalsContact O-N 3.1Å; M110-L113 HydrophobicContact SD-CD1 4.16Å; M110-G114 PolarHBondContact O-N 2.65Å; M110-E115 CarbonylContact C-O 3.55Å; M110-E115 HydrophobicContact CB-CB 4.46Å; M110-E115 HydrophobicContact CE-CB 4.04Å; M110-E115 HydrophobicContact CE-CG 4.25Å; M110-E115 PolarHBondContact O-N 3.43Å; M110-L117 HydrophobicContact CB-CD1 3.86Å; M110-L117 HydrophobicContact CB-CG 4.28Å; M110-L117 HydrophobicContact CE-CD1 3.91Å; M110-L117 HydrophobicContact CG-CD1 3.74Å
111T90Very high90.9Very high66 Ų6669.8 Ų69.841%0.40537%0.373SS..Hα-helixtrans-61.7-39.8174.5-57.90000112.1R107 V109 L113 G114 E115R107-T111 VanDerWaalsContact O-CB 3.31Å; R107-T111 WeakPolarHBondContact O-CB 3.3Å; R107-T111 PolarHBondContact O-N 3.43Å; R107-T111 PolarHBondContact O-OG1 2.98Å; V109-T111 VanDerWaalsContact C-N 3.28Å; V109-T111 PolarHBondContact O-N 2.89Å; T111-L113 VanDerWaalsContact C-N 3.3Å; T111-L113 PolarHBondContact O-N 2.95Å; T111-G114 PolarHBondContact O-N 2.99Å; T111-G114 VanDerWaalsContact O-N 3.13Å; T111-E115 WeakPolarHBondContact CA-O 3.29Å; T111-E115 PolarHBondContact N-O 3.22Å
112N87.1Confident90.8Very high106 Ų10669.7 Ų69.757%0.56737%0.373SS*.Hα-helixtrans-68.5-29176-71-33.3000112.6H108 V109 M110 G114H108-N112 PolarHBondContact CD2-ND2 2.92Å; H108-N112 PolarHBondContact NE2-ND2 2.78Å; H108-N112 VanDerWaalsContact O-CG 3.32Å; H108-N112 PolarHBondContact O-N 2.88Å; H108-N112 VanDerWaalsContact O-N 3.11Å; H108-N112 PolarHBondContact O-ND2 2.89Å; V109-N112 WeakPolarHBondContact O-CA 3.42Å; V109-N112 WeakPolarHBondContact O-CB 3.26Å; V109-N112 PolarHBondContact O-N 3.13Å; M110-N112 VanDerWaalsContact C-N 3.32Å; M110-N112 PolarHBondContact O-N 3.15Å; N112-G114 PolarHBondContact O-N 2.66Å
113L87.7Confident90.7Very high123 Ų12372.3 Ų72.364%0.64438%0.384SS*.THydrogen-bonded Turntrans-75.2-6.1172.7-66.8172.9000112.9V109 M110 T111V109-L113 HydrophobicContact CG1-CD1 4.15Å; V109-L113 HydrophobicContact CG1-CG 4.46Å; V109-L113 WeakPolarHBondContact O-CG 3.34Å; V109-L113 PolarHBondContact O-N 3.29Å; M110-L113 CarbonylContact O-C 3.6Å; M110-L113 WeakPolarHBondContact O-CB 3.01Å; M110-L113 PolarHBondContact O-N 2.8Å; M110-L113 VanDerWaalsContact O-N 3.1Å; M110-L113 HydrophobicContact SD-CD1 4.16Å; T111-L113 VanDerWaalsContact C-N 3.3Å; T111-L113 PolarHBondContact O-N 2.95Å
114G87.5Confident90.7Very high59 Ų5976.5 Ų76.561%0.60840%0.4SS*.THydrogen-bonded Turntrans95.3-2.6179.700000114.2M110 T111 N112M110-G114 PolarHBondContact O-N 2.65Å; T111-G114 PolarHBondContact O-N 2.99Å; T111-G114 VanDerWaalsContact O-N 3.13Å; N112-G114 PolarHBondContact O-N 2.66Å
115E89.2Confident90.6Very high113 Ų11376.8 Ų76.853%0.52839%0.393SS..  trans-90.1115.6177.3-66.6-61.3157.700110.1M110 T111 L117M110-E115 CarbonylContact C-O 3.55Å; M110-E115 HydrophobicContact CB-CB 4.46Å; M110-E115 HydrophobicContact CE-CB 4.04Å; M110-E115 HydrophobicContact CE-CG 4.25Å; M110-E115 PolarHBondContact O-N 3.43Å; T111-E115 WeakPolarHBondContact CA-O 3.29Å; T111-E115 PolarHBondContact N-O 3.22Å; E115-L117 PolarHBondContact O-N 3.45Å
116K88.1Confident90.5Very high181 Ų18176.4 Ų76.479%0.78739%0.392SS*.  trans-9591.6176.8-71.5-174.9-179.3179.70109.8
117L89.3Confident90.5Very high36 Ų3684.8 Ų84.819%0.18842%0.422CS..  trans-81.7140.1172.7-56.1178.8000110.6M110 E115 E121 V122 M125M110-L117 HydrophobicContact CB-CD1 3.86Å; M110-L117 HydrophobicContact CB-CG 4.28Å; M110-L117 HydrophobicContact CE-CD1 3.91Å; M110-L117 HydrophobicContact CG-CD1 3.74Å; E115-L117 PolarHBondContact O-N 3.45Å; L117-E121 WeakPolarHBondContact CA-OE2 3.29Å; L117-E121 HydrophobicContact CB-CB 4.22Å; L117-E121 HydrophobicContact CD2-CB 4.36Å; L117-V122 HydrophobicContact CB-CG2 3.68Å; L117-V122 HydrophobicContact CD1-CG2 4.1Å; L117-M125 HydrophobicContact CD1-SD 3.61Å
118T91.9Very high90.5Very high75 Ų7587.8 Ų87.846%0.4644%0.44SS..  trans-71.4160.616660.30000110.4E120 E121 V122T118-E120 PolarHBondContact O-N 2.95Å; T118-E121 WeakPolarHBondContact CB-OE2 3.19Å; T118-E121 PolarHBondContact N-OE2 3.28Å; T118-E121 PolarHBondContact O-N 3.15Å; T118-E121 WeakPolarHBondContact OG1-CG 3.46Å; T118-E121 PolarHBondContact OG1-N 3.44Å; T118-E121 PolarHBondContact OG1-OE2 3.44Å; T118-V122 WeakPolarHBondContact O-CG2 3.43Å; T118-V122 PolarHBondContact O-N 2.93Å; T118-V122 VanDerWaalsContact O-N 3.09Å
119D90.6Very high90.4Very high97 Ų9783.6 Ų83.652%0.51942%0.422SS..Hα-helixtrans-59.8-33.9176.6-67.6-36.1000111.3R107 V122 D123R107-D119 IonicContact CZ-OD1 3.85Å; R107-D119 IonicContact NH1-OD1 2.92Å; R107-D119 PolarHBondContact NH1-OD1 2.98Å; D119-V122 PolarHBondContact O-N 2.93Å; D119-D123 WeakPolarHBondContact O-CB 3.43Å; D119-D123 PolarHBondContact O-N 3.35Å
120E92.8Very high90.6Very high163 Ų16384.6 Ų84.676%0.76243%0.427SS*.Hα-helixtrans-65-42.1176.6-64.9178.7174.400112.5T118 D123 E124T118-E120 PolarHBondContact O-N 2.95Å; E120-D123 PolarHBondContact O-N 2.98Å; E120-E124 WeakPolarHBondContact O-CB 3.37Å; E120-E124 PolarHBondContact O-N 3.45Å
121E91.9Very high90.6Very high84 Ų8488.1 Ų88.139%0.39345%0.445SS..Hα-helixtrans-67.2-38.7177.1-73.5163.7136.700111.7L117 T118 E124 M125L117-E121 WeakPolarHBondContact CA-OE2 3.29Å; L117-E121 HydrophobicContact CB-CB 4.22Å; L117-E121 HydrophobicContact CD2-CB 4.36Å; T118-E121 WeakPolarHBondContact CB-OE2 3.19Å; T118-E121 PolarHBondContact N-OE2 3.28Å; T118-E121 PolarHBondContact O-N 3.15Å; T118-E121 WeakPolarHBondContact OG1-CG 3.46Å; T118-E121 PolarHBondContact OG1-N 3.44Å; T118-E121 PolarHBondContact OG1-OE2 3.44Å; E121-E124 PolarHBondContact O-N 3.14Å; E121-M125 WeakPolarHBondContact O-CG 3.37Å; E121-M125 PolarHBondContact O-N 3.41Å
122V92.2Very high90.8Very high1 Ų189.6 Ų89.61%0.00645%0.451CS..Hα-helixtrans-66.4-44.6176.3175.30000110.6A103 L106 R107 L117 T118 D119 E124 M125 I126A103-V122 HydrophobicContact CB-CG1 3.81Å; A103-V122 VanDerWaalsContact O-CG1 3.32Å; A103-V122 WeakPolarHBondContact O-CG1 3.48Å; L106-V122 HydrophobicContact CB-CG1 4.41Å; L106-V122 HydrophobicContact CD2-CG1 4.18Å; L106-V122 HydrophobicContact CG-CG1 4.45Å; R107-V122 HydrophobicContact CB-CG1 4.38Å; R107-V122 HydrophobicContact CB-CG2 3.93Å; R107-V122 HydrophobicContact CG-CG2 4.17Å; L117-V122 HydrophobicContact CB-CG2 3.68Å; L117-V122 HydrophobicContact CD1-CG2 4.1Å; T118-V122 WeakPolarHBondContact O-CG2 3.43Å; T118-V122 PolarHBondContact O-N 2.93Å; T118-V122 VanDerWaalsContact O-N 3.09Å; D119-V122 PolarHBondContact O-N 2.93Å; V122-E124 VanDerWaalsContact C-N 3.28Å; V122-E124 PolarHBondContact O-N 3Å; V122-M125 PolarHBondContact O-N 2.93Å; V122-I126 WeakPolarHBondContact O-CG1 3.26Å; V122-I126 PolarHBondContact O-N 3.2Å
123D92.2Very high91Very high83 Ų8387.3 Ų87.344%0.44445%0.452SS..Hα-helixtrans-64.1-34.2177.8-73.7-15.4000111.9D119 E120 R127D119-D123 WeakPolarHBondContact O-CB 3.43Å; D119-D123 PolarHBondContact O-N 3.35Å; E120-D123 PolarHBondContact O-N 2.98Å; D123-R127 VanDerWaalsContact O-CB 3.29Å; D123-R127 WeakPolarHBondContact O-CB 3.08Å; D123-R127 PolarHBondContact O-N 3.03Å
124E92.3Very high91.3Very high114 Ų11484.9 Ų84.953%0.53344%0.44SS..Hα-helixtrans-65.4-47.7173.2-173.1167.9-150.200111.2E120 E121 V122 I126 R127 E128E120-E124 WeakPolarHBondContact O-CB 3.37Å; E120-E124 PolarHBondContact O-N 3.45Å; E121-E124 PolarHBondContact O-N 3.14Å; V122-E124 VanDerWaalsContact C-N 3.28Å; V122-E124 PolarHBondContact O-N 3Å; E124-I126 PolarHBondContact O-N 2.83Å; E124-R127 PolarHBondContact O-N 3.42Å; E124-E128 WeakPolarHBondContact O-CG 3.39Å; E124-E128 PolarHBondContact O-N 2.78Å
125M90.7Very high91.5Very high57 Ų5784 Ų8428%0.28143%0.431SS..Hα-helixtrans-59.3-43.1177-71.6-179.47200112.9L106 L117 E121 V122 E128 A129L106-M125 HydrophobicContact CD1-CE 4.35Å; L106-M125 HydrophobicContact CD2-CB 3.92Å; L106-M125 HydrophobicContact CD2-CE 4.28Å; L106-M125 HydrophobicContact CD2-SD 4.34Å; L117-M125 HydrophobicContact CD1-SD 3.61Å; E121-M125 WeakPolarHBondContact O-CG 3.37Å; E121-M125 PolarHBondContact O-N 3.41Å; V122-M125 PolarHBondContact O-N 2.93Å; M125-E128 PolarHBondContact O-N 3.17Å; M125-A129 PolarHBondContact O-N 3.15Å
126I92.7Very high91.8Very high9 Ų981.7 Ų81.75%0.04642%0.42CS..Hα-helixtrans-63.9-48.4176.4-65.3-67.7000109.6A103 L106 V122 E124 E128 A129 D130 V137A103-I126 HydrophobicContact CB-CG1 4.15Å; L106-I126 HydrophobicContact CB-CD1 4.47Å; L106-I126 HydrophobicContact CD2-CD1 3.73Å; L106-I126 HydrophobicContact CD2-CG1 4.01Å; V122-I126 WeakPolarHBondContact O-CG1 3.26Å; V122-I126 PolarHBondContact O-N 3.2Å; E124-I126 PolarHBondContact O-N 2.83Å; I126-E128 PolarHBondContact O-N 3.05Å; I126-A129 PolarHBondContact O-N 2.88Å; I126-D130 HydrophobicContact CG2-CB 4.28Å; I126-D130 WeakPolarHBondContact O-CB 3.47Å; I126-D130 PolarHBondContact O-N 3.2Å; I126-V137 HydrophobicContact CD1-CG2 3.66Å; I126-V137 HydrophobicContact CG2-CG2 4.36Å
127R92Very high92.1Very high187 Ų18773.2 Ų73.271%0.70638%0.383SS*.Hα-helixtrans-60.7-32.1-179.2-174.7-176.4-65.3144.45.9113.3D123 E124 A129D123-R127 VanDerWaalsContact O-CB 3.29Å; D123-R127 WeakPolarHBondContact O-CB 3.08Å; D123-R127 PolarHBondContact O-N 3.03Å; E124-R127 PolarHBondContact O-N 3.42Å; R127-A129 VanDerWaalsContact C-N 3.31Å
128E90.5Very high92.3Very high153 Ų15372.8 Ų72.872%0.71538%0.382SS*.Hα-helixtrans-70.5-28.4177.1-74.9-172164.300113E124 M125 I126E124-E128 WeakPolarHBondContact O-CG 3.39Å; E124-E128 PolarHBondContact O-N 2.78Å; M125-E128 PolarHBondContact O-N 3.17Å; I126-E128 PolarHBondContact O-N 3.05Å
129A90.4Very high92.4Very high8 Ų872.4 Ų72.47%0.06637%0.372CS..Hα-helixtrans-101.8-26.7-177.300000114.5M125 I126 R127 I131 V137 E141 M145M125-A129 PolarHBondContact O-N 3.15Å; I126-A129 PolarHBondContact O-N 2.88Å; R127-A129 VanDerWaalsContact C-N 3.31Å; A129-I131 PolarHBondContact O-N 3.17Å; A129-V137 HydrophobicContact CB-CG1 4.23Å; A129-V137 HydrophobicContact CB-CG2 3.88Å; A129-E141 VanDerWaalsContact O-CB 3.31Å; A129-E141 WeakPolarHBondContact O-CB 3.4Å; A129-E141 WeakPolarHBondContact O-CG 3.16Å; A129-M145 HydrophobicContact CB-CB 4.48Å; A129-M145 HydrophobicContact CB-CE 3.19Å
130D92.8Very high92.4Very high29 Ų2974.5 Ų74.516%0.15538%0.379CS..  trans-70.994177.3177.713.9000109.9I126 G133 D134 G135I126-D130 HydrophobicContact CG2-CB 4.28Å; I126-D130 WeakPolarHBondContact O-CB 3.47Å; I126-D130 PolarHBondContact O-N 3.2Å; D130-G133 WeakPolarHBondContact OD1-CA 3.44Å; D130-G133 PolarHBondContact OD1-N 3.27Å; D130-G133 VanDerWaalsContact OD2-CA 3.32Å; D130-G133 WeakPolarHBondContact OD2-CA 3.42Å; D130-D134 PolarHBondContact OD1-N 3.29Å; D130-D134 VanDerWaalsContact OD1-N 3.1Å; D130-D134 PolarHBondContact OD2-N 2.77Å; D130-G135 VanDerWaalsContact OD2-CA 3.28Å; D130-G135 WeakPolarHBondContact OD2-CA 3.32Å; D130-G135 PolarHBondContact OD2-N 3.31Å
131I91.5Very high92.4Very high106 Ų10667 Ų6754%0.54434%0.344SS..SBendtrans-83.1-36.2-176.7-65.8170.2000110.1A129 E141A129-I131 PolarHBondContact O-N 3.17Å; I131-E141 HydrophobicContact CB-CG 4.26Å; I131-E141 HydrophobicContact CD1-CG 4.23Å; I131-E141 HydrophobicContact CG1-CG 4.27Å; I131-E141 PolarHBondContact N-OE1 2.95Å
132D92.9Very high92.3Very high98 Ų9863.5 Ų63.552%0.52433%0.327SS..SBendtrans-84.2-16-17974.919.6000113.9D134 E141D132-D134 VanDerWaalsContact OD1-CB 3.29Å; D132-D134 WeakPolarHBondContact OD1-CB 3.46Å; D132-D134 PolarHBondContact OD1-N 2.87Å; D132-E141 PolarHBondContact N-OE1 2.73Å; D132-E141 VanDerWaalsContact N-OE1 3.15Å
133G91.3Very high92.1Very high57 Ų5765.3 Ų65.359%0.58834%0.338SS*.  trans81.622.5174.700000114D130 G135D130-G133 WeakPolarHBondContact OD1-CA 3.44Å; D130-G133 PolarHBondContact OD1-N 3.27Å; D130-G133 VanDerWaalsContact OD2-CA 3.32Å; D130-G133 WeakPolarHBondContact OD2-CA 3.42Å; G133-G135 VanDerWaalsContact C-N 3.27Å
134D93.5Very high91.8Very high72 Ų7266.4 Ų66.439%0.38534%0.341SS..SBendtrans-79.7-7.2-179.585.40.1000114.1D130 D132 Q136D130-D134 PolarHBondContact OD1-N 3.29Å; D130-D134 VanDerWaalsContact OD1-N 3.1Å; D130-D134 PolarHBondContact OD2-N 2.77Å; D132-D134 VanDerWaalsContact OD1-CB 3.29Å; D132-D134 WeakPolarHBondContact OD1-CB 3.46Å; D132-D134 PolarHBondContact OD1-N 2.87Å; D134-Q136 WeakPolarHBondContact OD1-CA 3.39Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.38Å; D134-Q136 PolarHBondContact OD1-N 2.81Å
135G92.9Very high91.4Very high41 Ų4164.4 Ų64.442%0.42333%0.332SS..SBendtrans84.211179.500000114.3D130 G133D130-G135 VanDerWaalsContact OD2-CA 3.28Å; D130-G135 WeakPolarHBondContact OD2-CA 3.32Å; D130-G135 PolarHBondContact OD2-N 3.31Å; G133-G135 VanDerWaalsContact C-N 3.27Å
136Q94.4Very high90.9Very high65 Ų6566.2 Ų66.230%0.30434%0.341SS..SBendtrans-134.8171.6175.8-53.8-176.839.200109.2Y100 D134Y100-Q136 HydrophobicContact CD1-CB 4.29Å; D134-Q136 WeakPolarHBondContact OD1-CA 3.39Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.38Å; D134-Q136 PolarHBondContact OD1-N 2.81Å
137V95Very high90Very high2 Ų269.7 Ų69.71%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-115.3113.4178.8179.20000109Y100 I101 I126 A129 E141 F142Y100-V137 CarbonylContact C-O 3.11Å; Y100-V137 WeakPolarHBondContact CA-O 3.45Å; I101-V137 HydrophobicContact CB-CB 4.31Å; I101-V137 PolarHBondContact N-O 3.41Å; I101-V137 PolarHBondContact O-N 2.85Å; I126-V137 HydrophobicContact CD1-CG2 3.66Å; I126-V137 HydrophobicContact CG2-CG2 4.36Å; A129-V137 HydrophobicContact CB-CG1 4.23Å; A129-V137 HydrophobicContact CB-CG2 3.88Å; V137-E141 WeakPolarHBondContact CA-OE2 3.47Å; V137-E141 HydrophobicContact CG1-CB 3.74Å; V137-F142 HydrophobicContact CG1-CB 3.94Å
138N94.9Very high88.9Confident28 Ų2864.6 Ų64.615%0.1536%0.361CS..EExtended strand (participates in β ladder)trans-78.817317471.453.5000111.6Y100 E140 E141 F142Y100-N138 HydrophobicContact CD1-CB 3.85Å; Y100-N138 HydrophobicContact CE1-CB 3.81Å; N138-E140 VanDerWaalsContact C-N 3.34Å; N138-E140 PolarHBondContact O-N 2.9Å; N138-E140 WeakPolarHBondContact OD1-CA 3.43Å; N138-E140 WeakPolarHBondContact OD1-CB 3.38Å; N138-E140 PolarHBondContact OD1-N 2.65Å; N138-E141 VanDerWaalsContact CG-OE2 3.23Å; N138-E141 PolarHBondContact N-OE2 3.29Å; N138-E141 PolarHBondContact ND2-OE2 2.95Å; N138-E141 PolarHBondContact O-N 3.1Å; N138-E141 PolarHBondContact OD1-N 3.16Å; N138-F142 WeakPolarHBondContact O-CB 3.33Å; N138-F142 PolarHBondContact O-N 2.87Å
139Y92.1Very high86.5Confident66 Ų6670 Ų7026%0.25938%0.382SS..Hα-helixtrans-59.3-40.4-178.1179.1-102.3000113.5R87 F90 F142 V143R87-Y139 HydrophobicContact CB-CE2 4.15Å; R87-Y139 HydrophobicContact CG-CE2 4.39Å; F90-Y139 HydrophobicContact CB-CD2 4.15Å; F90-Y139 HydrophobicContact CB-CE2 4.47Å; F90-Y139 HydrophobicContact CD1-CD2 4.2Å; F90-Y139 HydrophobicContact CD2-CD2 4.11Å; F90-Y139 AromaticContact CG-CD2 3.87Å; F90-Y139 HydrophobicContact CG-CD2 3.87Å; Y139-F142 PolarHBondContact O-N 2.76Å; Y139-V143 HydrophobicContact CD1-CG2 4.07Å; Y139-V143 HydrophobicContact CD2-CG2 4.37Å; Y139-V143 HydrophobicContact CE1-CG2 3.65Å; Y139-V143 HydrophobicContact CE2-CG2 3.98Å; Y139-V143 HydrophobicContact CG-CG2 4.42Å; Y139-V143 WeakPolarHBondContact O-CG2 3.23Å; Y139-V143 PolarHBondContact O-N 2.77Å
140E91.2Very high86.3Confident141 Ų14173.1 Ų73.166%0.65940%0.398SS*.Hα-helixtrans-67.7-40.3-178.4-62.4-17317100111.3N138 V143 Q144N138-E140 VanDerWaalsContact C-N 3.34Å; N138-E140 PolarHBondContact O-N 2.9Å; N138-E140 WeakPolarHBondContact OD1-CA 3.43Å; N138-E140 WeakPolarHBondContact OD1-CB 3.38Å; N138-E140 PolarHBondContact OD1-N 2.65Å; E140-V143 PolarHBondContact O-N 2.89Å; E140-Q144 WeakPolarHBondContact O-CG 3.28Å; E140-Q144 PolarHBondContact O-N 3.02Å
141E92.6Very high85.9Confident7 Ų775.4 Ų75.43%0.03341%0.41CS..Hα-helixtrans-64.4-42.5174.7-71.3169.6155.400111.9A129 I131 D132 V137 N138 Q144 M145A129-E141 VanDerWaalsContact O-CB 3.31Å; A129-E141 WeakPolarHBondContact O-CB 3.4Å; A129-E141 WeakPolarHBondContact O-CG 3.16Å; I131-E141 HydrophobicContact CB-CG 4.26Å; I131-E141 HydrophobicContact CD1-CG 4.23Å; I131-E141 HydrophobicContact CG1-CG 4.27Å; I131-E141 PolarHBondContact N-OE1 2.95Å; D132-E141 PolarHBondContact N-OE1 2.73Å; D132-E141 VanDerWaalsContact N-OE1 3.15Å; V137-E141 WeakPolarHBondContact CA-OE2 3.47Å; V137-E141 HydrophobicContact CG1-CB 3.74Å; N138-E141 VanDerWaalsContact CG-OE2 3.23Å; N138-E141 PolarHBondContact N-OE2 3.29Å; N138-E141 PolarHBondContact ND2-OE2 2.95Å; N138-E141 PolarHBondContact O-N 3.1Å; N138-E141 PolarHBondContact OD1-N 3.16Å; E141-Q144 PolarHBondContact O-N 3.35Å; E141-M145 WeakPolarHBondContact O-CB 3.12Å; E141-M145 PolarHBondContact O-N 2.79Å
142F90.7Very high85.6Confident10 Ų1073.7 Ų73.74%0.04440%0.403CS..Hα-helixtrans-64-41.3175.6-172-98.9000112.2I86 A89 F90 F93 I101 V137 N138 Y139 M145 M146I86-F142 HydrophobicContact CG2-CD1 3.81Å; I86-F142 HydrophobicContact CG2-CE1 3.97Å; A89-F142 HydrophobicContact CB-CE1 4.1Å; A89-F142 HydrophobicContact CB-CZ 4.16Å; F90-F142 HydrophobicContact CB-CD1 4.03Å; F90-F142 HydrophobicContact CB-CE1 4.13Å; F90-F142 HydrophobicContact CD2-CB 3.63Å; F90-F142 AromaticContact CD2-CD1 3.74Å; F90-F142 HydrophobicContact CD2-CD1 3.74Å; F90-F142 HydrophobicContact CD2-CD2 4.28Å; F90-F142 HydrophobicContact CD2-CE1 4.47Å; F90-F142 AromaticContact CD2-CG 3.63Å; F90-F142 HydrophobicContact CD2-CG 3.63Å; F90-F142 HydrophobicContact CE2-CB 3.9Å; F90-F142 HydrophobicContact CE2-CG 4.3Å; F90-F142 HydrophobicContact CG-CD1 4.4Å; F93-F142 AromaticContact CD2-CE2 3.86Å; F93-F142 HydrophobicContact CD2-CE2 3.86Å; F93-F142 AromaticContact CD2-CZ 3.8Å; F93-F142 HydrophobicContact CD2-CZ 3.8Å; F93-F142 HydrophobicContact CE2-CE2 4.03Å; F93-F142 AromaticContact CE2-CZ 3.9Å; F93-F142 HydrophobicContact CE2-CZ 3.9Å; I101-F142 HydrophobicContact CD1-CD2 3.48Å; I101-F142 VanDerWaalsContact CD1-CD2 3.48Å; I101-F142 HydrophobicContact CD1-CE2 3.8Å; I101-F142 HydrophobicContact CD1-CG 4.08Å; V137-F142 HydrophobicContact CG1-CB 3.94Å; N138-F142 WeakPolarHBondContact O-CB 3.33Å; N138-F142 PolarHBondContact O-N 2.87Å; Y139-F142 PolarHBondContact O-N 2.76Å; F142-M145 WeakPolarHBondContact O-CB 3.15Å; F142-M145 PolarHBondContact O-N 2.82Å; F142-M146 HydrophobicContact CD1-CG 4.23Å; F142-M146 HydrophobicContact CE1-CG 3.91Å; F142-M146 HydrophobicContact CZ-CG 4.12Å; F142-M146 HydrophobicContact CZ-SD 4.31Å; F142-M146 WeakPolarHBondContact O-CG 3.36Å; F142-M146 PolarHBondContact O-N 3.49Å
143V87.9Confident85.2Confident38 Ų3872.3 Ų72.323%0.2340%0.396CS..Hα-helixtrans-61.7-45.9173.4171.20000110.3I86 Y139 E140 M145 M146 T147I86-V143 HydrophobicContact CG2-CG2 3.73Å; Y139-V143 HydrophobicContact CD1-CG2 4.07Å; Y139-V143 HydrophobicContact CD2-CG2 4.37Å; Y139-V143 HydrophobicContact CE1-CG2 3.65Å; Y139-V143 HydrophobicContact CE2-CG2 3.98Å; Y139-V143 HydrophobicContact CG-CG2 4.42Å; Y139-V143 WeakPolarHBondContact O-CG2 3.23Å; Y139-V143 PolarHBondContact O-N 2.77Å; E140-V143 PolarHBondContact O-N 2.89Å; V143-M145 VanDerWaalsContact C-N 3.34Å; V143-M145 PolarHBondContact O-N 3.09Å; V143-M146 PolarHBondContact O-N 3.24Å; V143-M146 VanDerWaalsContact O-N 3.17Å; V143-T147 HydrophobicContact CG1-CG2 3.96Å; V143-T147 WeakPolarHBondContact O-CB 3.48Å; V143-T147 VanDerWaalsContact O-CG2 3.27Å; V143-T147 WeakPolarHBondContact O-CG2 3.34Å; V143-T147 PolarHBondContact O-N 2.73Å; V143-T147 PolarHBondContact O-OG1 2.7Å
144Q85.6Confident84.8Confident107 Ų10773.3 Ų73.350%0.538%0.384SS..Hα-helixtrans-60-44.6176.8-74.7-173.835.800111.5E140 E141 M146 T147 A148E140-Q144 WeakPolarHBondContact O-CG 3.28Å; E140-Q144 PolarHBondContact O-N 3.02Å; E141-Q144 PolarHBondContact O-N 3.35Å; Q144-M146 VanDerWaalsContact C-N 3.29Å; Q144-M146 PolarHBondContact O-N 3.44Å; Q144-T147 PolarHBondContact O-N 2.93Å; Q144-A148 WeakPolarHBondContact O-CB 3.09Å; Q144-A148 PolarHBondContact O-N 3.35Å
145M83.7Confident84.3Confident71 Ų7173.3 Ų73.335%0.3538%0.384SS..Hα-helixtrans-56.6-42174.4-172.7-154.7-70.200112A129 E141 F142 V143A129-M145 HydrophobicContact CB-CB 4.48Å; A129-M145 HydrophobicContact CB-CE 3.19Å; E141-M145 WeakPolarHBondContact O-CB 3.12Å; E141-M145 PolarHBondContact O-N 2.79Å; F142-M145 WeakPolarHBondContact O-CB 3.15Å; F142-M145 PolarHBondContact O-N 2.82Å; V143-M145 VanDerWaalsContact C-N 3.34Å; V143-M145 PolarHBondContact O-N 3.09Å
146M81.1Confident83.6Confident95 Ų9575.6 Ų75.647%0.46838%0.381SS..Hα-helixtrans-81.1-28.4-175.9-68.9-86.157.900114.6I86 F142 V143 Q144I86-M146 HydrophobicContact CD1-CB 4.08Å; I86-M146 HydrophobicContact CG1-CB 4.06Å; F142-M146 HydrophobicContact CD1-CG 4.23Å; F142-M146 HydrophobicContact CE1-CG 3.91Å; F142-M146 HydrophobicContact CZ-CG 4.12Å; F142-M146 HydrophobicContact CZ-SD 4.31Å; F142-M146 WeakPolarHBondContact O-CG 3.36Å; F142-M146 PolarHBondContact O-N 3.49Å; V143-M146 PolarHBondContact O-N 3.24Å; V143-M146 VanDerWaalsContact O-N 3.17Å; Q144-M146 VanDerWaalsContact C-N 3.29Å; Q144-M146 PolarHBondContact O-N 3.44Å
147T73.8Confident82.8Confident83 Ų8376.5 Ų76.551%0.50939%0.387SS..Hα-helixtrans-94.4-15.8-178.858.70000113.5I86 V143 Q144 K149I86-T147 HydrophobicContact CD1-CG2 3.94Å; V143-T147 HydrophobicContact CG1-CG2 3.96Å; V143-T147 WeakPolarHBondContact O-CB 3.48Å; V143-T147 VanDerWaalsContact O-CG2 3.27Å; V143-T147 WeakPolarHBondContact O-CG2 3.34Å; V143-T147 PolarHBondContact O-N 2.73Å; V143-T147 PolarHBondContact O-OG1 2.7Å; Q144-T147 PolarHBondContact O-N 2.93Å; T147-K149 VanDerWaalsContact C-N 3.33Å; T147-K149 PolarHBondContact O-N 2.88Å
148A67.1Low81.8Confident80 Ų8082.7 Ų82.766%0.66142%0.418SS*.  trans-64.490.6172.700000110.4Q144Q144-A148 WeakPolarHBondContact O-CB 3.09Å; Q144-A148 PolarHBondContact O-N 3.35Å
149K40.9Very low80.6Confident266 Ų26687.6 Ų87.6100%1.15744%0.443SS*.  trans-128.70167.1-79.5-174.8179.2170.30110.4T147T147-K149 VanDerWaalsContact C-N 3.33Å; T147-K149 PolarHBondContact O-N 2.88Å

Retrieved 149 of 149 residues in 165.5 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).