A0A077Z4M4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z4M4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 95 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
1M55.9Low55.7Low161 Ų16177.2 Ų77.279%0.79340%0.398SS*.  0-550-72.5-178.6-177.500113.1R3 S4 T5M1-R3 PolarHBondContact O-N 3.48Å; M1-S4 WeakPolarHBondContact O-CB 3.33Å; M1-S4 PolarHBondContact O-N 3.05Å; M1-T5 PolarHBondContact O-N 3.14Å; M1-T5 PolarHBondContact O-OG1 3.23Å
2L50Low55.8Low9 Ų975.3 Ų75.35%0.04741%0.412CS..Hα-helixtrans-52.7-47.4-179.1-172.278.3000114.8S4 T5 I6 F22 Q25 V26 F29 W30L2-S4 PolarHBondContact O-N 3.25Å; L2-T5 WeakPolarHBondContact O-CB 3.33Å; L2-T5 PolarHBondContact O-N 3.09Å; L2-T5 VanDerWaalsContact O-N 3.12Å; L2-I6 HydrophobicContact CD1-CD1 4.18Å; L2-I6 HydrophobicContact CD1-CG1 4.4Å; L2-I6 HydrophobicContact CD2-CD1 4.01Å; L2-I6 HydrophobicContact CG-CD1 3.72Å; L2-I6 HydrophobicContact CG-CG1 4.23Å; L2-I6 WeakPolarHBondContact O-CG1 3.45Å; L2-I6 PolarHBondContact O-N 2.72Å; L2-F22 HydrophobicContact CD1-CE2 4.43Å; L2-Q25 HydrophobicContact CB-CB 4.12Å; L2-Q25 HydrophobicContact CD1-CB 3.34Å; L2-Q25 HydrophobicContact CG-CB 4.31Å; L2-V26 HydrophobicContact CD1-CG2 4.1Å; L2-V26 HydrophobicContact CD2-CG2 4.35Å; L2-F29 HydrophobicContact CB-CD2 3.44Å; L2-F29 VanDerWaalsContact CB-CD2 3.44Å; L2-F29 HydrophobicContact CB-CE2 3.16Å; L2-F29 HydrophobicContact CB-CZ 4.03Å; L2-F29 HydrophobicContact CD2-CD2 3.75Å; L2-F29 HydrophobicContact CD2-CE2 4.33Å; L2-F29 HydrophobicContact CD2-CG 4.28Å; L2-F29 HydrophobicContact CG-CD2 4.21Å; L2-F29 HydrophobicContact CG-CE2 4.36Å; L2-W30 HydrophobicContact CD2-CH2 4.48Å; L2-W30 HydrophobicContact CD2-CZ3 3.69Å
3R53.6Low56.3Low214 Ų21482.4 Ų82.481%0.80844%0.436SS*.Hα-helixtrans-54.3-38.9176.1-82.6-171.2175.7-156.10.3112.8M1 S7M1-R3 PolarHBondContact O-N 3.48Å; R3-S7 VanDerWaalsContact O-CB 3.24Å; R3-S7 WeakPolarHBondContact O-CB 3.13Å; R3-S7 PolarHBondContact O-N 2.82Å; R3-S7 PolarHBondContact O-OG 2.8Å
4S58.2Low56.3Low63 Ų6380.5 Ų80.544%0.44143%0.425SS..Hα-helixtrans-68-44178.7-173.60000111M1 L2 S7 K8M1-S4 WeakPolarHBondContact O-CB 3.33Å; M1-S4 PolarHBondContact O-N 3.05Å; L2-S4 PolarHBondContact O-N 3.25Å; S4-S7 PolarHBondContact O-N 3.17Å; S4-K8 WeakPolarHBondContact O-CB 3.37Å; S4-K8 VanDerWaalsContact O-CG 3.31Å; S4-K8 WeakPolarHBondContact O-CG 3.18Å; S4-K8 PolarHBondContact O-N 3.44Å
5T52.9Low56.5Low17 Ų1781.7 Ų81.710%0.10444%0.443CS..Hα-helixtrans-61.6-49.3176.9-50.70000112.1M1 L2 S7 K8 L9 I14 I17 Q25M1-T5 PolarHBondContact O-N 3.14Å; M1-T5 PolarHBondContact O-OG1 3.23Å; L2-T5 WeakPolarHBondContact O-CB 3.33Å; L2-T5 PolarHBondContact O-N 3.09Å; L2-T5 VanDerWaalsContact O-N 3.12Å; T5-S7 VanDerWaalsContact C-N 3.3Å; T5-S7 PolarHBondContact O-N 3.24Å; T5-K8 PolarHBondContact O-N 2.73Å; T5-L9 HydrophobicContact CG2-CD1 4.02Å; T5-L9 WeakPolarHBondContact O-CD1 3.22Å; T5-L9 WeakPolarHBondContact O-CG 3.44Å; T5-L9 PolarHBondContact O-N 2.71Å; T5-I14 HydrophobicContact CG2-CD1 4.06Å; T5-I17 HydrophobicContact CG2-CD1 3.37Å; T5-Q25 PolarHBondContact OG1-NE2 3.28Å; T5-Q25 PolarHBondContact OG1-OE1 3.4Å
6I54.3Low56.5Low46 Ų4681.8 Ų81.824%0.23644%0.439CS..Hα-helixtrans-61.5-40.8176.2-66.1175.5000110.4L2 L9 K10 I65L2-I6 HydrophobicContact CD1-CD1 4.18Å; L2-I6 HydrophobicContact CD1-CG1 4.4Å; L2-I6 HydrophobicContact CD2-CD1 4.01Å; L2-I6 HydrophobicContact CG-CD1 3.72Å; L2-I6 HydrophobicContact CG-CG1 4.23Å; L2-I6 WeakPolarHBondContact O-CG1 3.45Å; L2-I6 PolarHBondContact O-N 2.72Å; I6-L9 PolarHBondContact O-N 3.22Å; I6-K10 HydrophobicContact CG2-CD 4.36Å; I6-K10 HydrophobicContact CG2-CG 4.42Å; I6-K10 WeakPolarHBondContact O-CB 3.28Å; I6-K10 WeakPolarHBondContact O-CG 3.39Å; I6-K10 PolarHBondContact O-N 3.33Å; I6-I65 HydrophobicContact CG2-CG2 4.35Å
7S57.3Low56.6Low73 Ų7378 Ų7851%0.5142%0.419SS..Hα-helixtrans-64.2-42.1176.7-60.10000111.7R3 S4 T5 L9 K10 A11R3-S7 VanDerWaalsContact O-CB 3.24Å; R3-S7 WeakPolarHBondContact O-CB 3.13Å; R3-S7 PolarHBondContact O-N 2.82Å; R3-S7 PolarHBondContact O-OG 2.8Å; S4-S7 PolarHBondContact O-N 3.17Å; T5-S7 VanDerWaalsContact C-N 3.3Å; T5-S7 PolarHBondContact O-N 3.24Å; S7-L9 VanDerWaalsContact C-N 3.34Å; S7-L9 PolarHBondContact O-N 3.35Å; S7-K10 PolarHBondContact O-N 2.74Å; S7-A11 WeakPolarHBondContact O-CB 3.2Å; S7-A11 PolarHBondContact O-N 3.33Å
8K58.2Low56.5Low100 Ų10077.2 Ų77.244%0.43542%0.42SS..Hα-helixtrans-62.8-39.5174.7-73.2176.2-176.3-175.20111.6S4 T5 G12 K13 I14S4-K8 WeakPolarHBondContact O-CB 3.37Å; S4-K8 VanDerWaalsContact O-CG 3.31Å; S4-K8 WeakPolarHBondContact O-CG 3.18Å; S4-K8 PolarHBondContact O-N 3.44Å; T5-K8 PolarHBondContact O-N 2.73Å; K8-G12 PolarHBondContact O-N 3.44Å; K8-G12 VanDerWaalsContact O-N 3.14Å; K8-K13 HydrophobicContact CB-CB 4.19Å; K8-K13 HydrophobicContact CG-CB 4.41Å; K8-K13 PolarHBondContact O-N 3.34Å; K8-I14 HydrophobicContact CB-CD1 3.88Å; K8-I14 HydrophobicContact CB-CG1 3.87Å; K8-I14 HydrophobicContact CB-CG2 4.45Å; K8-I14 PolarHBondContact O-N 3.46Å
9L55.3Low56.4Low5 Ų574.1 Ų74.13%0.02641%0.406CS..Hα-helixtrans-65.4-47.6174.9-76.6149.9000111.6T5 I6 S7 A11 G12 I14 I17 I65T5-L9 HydrophobicContact CG2-CD1 4.02Å; T5-L9 WeakPolarHBondContact O-CD1 3.22Å; T5-L9 WeakPolarHBondContact O-CG 3.44Å; T5-L9 PolarHBondContact O-N 2.71Å; I6-L9 PolarHBondContact O-N 3.22Å; S7-L9 VanDerWaalsContact C-N 3.34Å; S7-L9 PolarHBondContact O-N 3.35Å; L9-A11 VanDerWaalsContact C-N 3.31Å; L9-A11 PolarHBondContact O-N 2.74Å; L9-G12 PolarHBondContact O-N 2.71Å; L9-I14 HydrophobicContact CB-CG1 4.42Å; L9-I14 HydrophobicContact CD1-CD1 4.18Å; L9-I14 HydrophobicContact CD2-CD1 4.22Å; L9-I14 HydrophobicContact CD2-CG1 3.73Å; L9-I14 HydrophobicContact CG-CD1 3.76Å; L9-I14 HydrophobicContact CG-CG1 3.57Å; L9-I17 HydrophobicContact CD1-CB 4.3Å; L9-I17 HydrophobicContact CD1-CG2 3.63Å; L9-I17 HydrophobicContact CD2-CG2 4.44Å; L9-I65 HydrophobicContact CB-CD1 3.65Å; L9-I65 HydrophobicContact CD1-CD1 3.48Å; L9-I65 VanDerWaalsContact CD1-CD1 3.48Å; L9-I65 HydrophobicContact CD2-CD1 3.67Å; L9-I65 HydrophobicContact CG-CD1 3.73Å
10K54.4Low56.4Low91 Ų9178.1 Ų78.140%0.39642%0.416SS..Hα-helixtrans-62.6-39.9178-76.2-169.4175.2-172.40111.8I6 S7 G12 K62 S69I6-K10 HydrophobicContact CG2-CD 4.36Å; I6-K10 HydrophobicContact CG2-CG 4.42Å; I6-K10 WeakPolarHBondContact O-CB 3.28Å; I6-K10 WeakPolarHBondContact O-CG 3.39Å; I6-K10 PolarHBondContact O-N 3.33Å; S7-K10 PolarHBondContact O-N 2.74Å; K10-G12 PolarHBondContact O-N 3.01Å; K10-K62 PolarHBondContact O-NZ 3.46Å; K10-S69 PolarHBondContact NZ-OG 3.35Å; K10-S69 VanDerWaalsContact NZ-OG 3.13Å
11A63Low56.6Low70 Ų7077.1 Ų77.158%0.57941%0.409SS*.THydrogen-bonded Turntrans-74.7-3.3175.800000113.9S7 L9 K13S7-A11 WeakPolarHBondContact O-CB 3.2Å; S7-A11 PolarHBondContact O-N 3.33Å; L9-A11 VanDerWaalsContact C-N 3.31Å; L9-A11 PolarHBondContact O-N 2.74Å; A11-K13 HydrophobicContact CB-CG 4.15Å; A11-K13 PolarHBondContact O-N 3.13Å
12G56.4Low56.7Low55 Ų5570.1 Ų70.157%0.56737%0.374SS*.THydrogen-bonded Turntrans68.710.9-177.700000114.8K8 L9 K10 I14K8-G12 PolarHBondContact O-N 3.44Å; K8-G12 VanDerWaalsContact O-N 3.14Å; L9-G12 PolarHBondContact O-N 2.71Å; K10-G12 PolarHBondContact O-N 3.01Å; G12-I14 VanDerWaalsContact C-N 3.3Å
13K62.4Low56.9Low167 Ų16772.5 Ų72.573%0.72639%0.385SS*.SBendtrans-71.6-26.4178.4-68.7-170.2176.1-173.70112.8K8 A11K8-K13 HydrophobicContact CB-CB 4.19Å; K8-K13 HydrophobicContact CG-CB 4.41Å; K8-K13 PolarHBondContact O-N 3.34Å; A11-K13 HydrophobicContact CB-CG 4.15Å; A11-K13 PolarHBondContact O-N 3.13Å
14I57Low57.4Low56 Ų5667.2 Ų67.229%0.28737%0.365SS..  trans-127.7133.816663.7-175.1000106.7T5 K8 L9 G12T5-I14 HydrophobicContact CG2-CD1 4.06Å; K8-I14 HydrophobicContact CB-CD1 3.88Å; K8-I14 HydrophobicContact CB-CG1 3.87Å; K8-I14 HydrophobicContact CB-CG2 4.45Å; K8-I14 PolarHBondContact O-N 3.46Å; L9-I14 HydrophobicContact CB-CG1 4.42Å; L9-I14 HydrophobicContact CD1-CD1 4.18Å; L9-I14 HydrophobicContact CD2-CD1 4.22Å; L9-I14 HydrophobicContact CD2-CG1 3.73Å; L9-I14 HydrophobicContact CG-CD1 3.76Å; L9-I14 HydrophobicContact CG-CG1 3.57Å; G12-I14 VanDerWaalsContact C-N 3.3Å
15S59.4Low57.5Low98 Ų9864.9 Ų64.969%0.68535%0.347SS*.SBendtrans-80.8-31-179.343.40000111.8
16E56.1Low57.6Low83 Ų8364.8 Ų64.839%0.38835%0.347SS..  trans-146.9150.6-170.2-59.9-178.1166.900111.4R59E16-R59 HydrophobicContact CG-CB 4.48Å; E16-R59 WeakPolarHBondContact OE1-CD 3.21Å; E16-R59 IonicContact OE1-CZ 3.97Å; E16-R59 IonicContact OE1-NE 3.26Å; E16-R59 IonicContact OE1-NH1 3.62Å; E16-R59 PolarHBondContact OE1-NH1 3.31Å; E16-R59 VanDerWaalsContact OE2-CD 3.25Å; E16-R59 WeakPolarHBondContact OE2-CD 3.45Å; E16-R59 WeakPolarHBondContact OE2-CG 3.35Å; E16-R59 IonicContact OE2-CZ 3.28Å; E16-R59 VanDerWaalsContact OE2-CZ 3.26Å; E16-R59 IonicContact OE2-NE 3.93Å; E16-R59 PolarHBondContact OE2-NE 2.87Å; E16-R59 IonicContact OE2-NH1 3.58Å; E16-R59 PolarHBondContact OE2-NH1 3.5Å
17I57.6Low57.7Low18 Ų1866 Ų669%0.09235%0.351CS..  trans-131.5145.4164.8179.3165.1000108.2T5 L9 E21 F22 W60T5-I17 HydrophobicContact CG2-CD1 3.37Å; L9-I17 HydrophobicContact CD1-CB 4.3Å; L9-I17 HydrophobicContact CD1-CG2 3.63Å; L9-I17 HydrophobicContact CD2-CG2 4.44Å; I17-E21 HydrophobicContact CD1-CB 3.98Å; I17-E21 HydrophobicContact CD1-CG 3.74Å; I17-E21 HydrophobicContact CG1-CB 3.93Å; I17-E21 HydrophobicContact CG1-CG 4.16Å; I17-F22 HydrophobicContact CD1-CB 4.44Å; I17-F22 HydrophobicContact CG1-CB 4.49Å; I17-F22 HydrophobicContact CG2-CB 4.33Å; I17-F22 HydrophobicContact CG2-CD2 4.47Å; I17-W60 HydrophobicContact CG2-CB 3.61Å; I17-W60 HydrophobicContact CG2-CG 4.03Å; I17-W60 PolarHBondContact O-N 2.95Å
18S55.8Low57.9Low64 Ų6468.1 Ų68.145%0.44835%0.351SS..BIsolated β-bridgetrans-68.9149.5177.470.90000111.6Y20 E21 F22 I58S18-Y20 PolarHBondContact O-N 3.43Å; S18-E21 PolarHBondContact O-N 3.23Å; S18-E21 WeakPolarHBondContact OG-CB 3.5Å; S18-E21 PolarHBondContact OG-N 2.8Å; S18-F22 PolarHBondContact O-N 3.28Å; S18-I58 CarbonylContact C-O 3.53Å; S18-I58 WeakPolarHBondContact CA-O 3.45Å
19A53.3Low57.6Low18 Ų1868.7 Ų68.715%0.14935%0.354CS..Hα-helixtrans-43.2-51.6171.500000112.6F22 Q23 I58A19-F22 PolarHBondContact O-N 2.88Å; A19-Q23 VanDerWaalsContact O-CB 3.24Å; A19-Q23 WeakPolarHBondContact O-CB 3.42Å; A19-Q23 PolarHBondContact O-N 2.88Å; A19-I58 HydrophobicContact CB-CB 3.41Å; A19-I58 VanDerWaalsContact CB-CB 3.41Å; A19-I58 HydrophobicContact CB-CD1 3.54Å; A19-I58 HydrophobicContact CB-CG1 3.4Å; A19-I58 PolarHBondContact N-O 2.9Å
20Y57.3Low57.3Low154 Ų15473.3 Ų73.360%0.60437%0.371SS*.Hα-helixtrans-66.7-44.2-172.3179.2-104.6000111S18 Q23 R24S18-Y20 PolarHBondContact O-N 3.43Å; Y20-Q23 PolarHBondContact O-N 3.36Å; Y20-R24 HydrophobicContact CD1-CG 4.46Å; Y20-R24 VanDerWaalsContact CE1-CD 3.44Å; Y20-R24 HydrophobicContact CE1-CG 4.13Å; Y20-R24 HydrophobicContact CE2-CG 4.29Å; Y20-R24 WeakPolarHBondContact O-CB 3.24Å; Y20-R24 WeakPolarHBondContact O-CG 3.28Å; Y20-R24 PolarHBondContact O-N 3.06Å
21E59.3Low57.1Low57 Ų5772.8 Ų72.827%0.26638%0.377SS..Hα-helixtrans-70.1-38.4178.4-172.555.3-153.100111I17 S18 R24 Q25I17-E21 HydrophobicContact CD1-CB 3.98Å; I17-E21 HydrophobicContact CD1-CG 3.74Å; I17-E21 HydrophobicContact CG1-CB 3.93Å; I17-E21 HydrophobicContact CG1-CG 4.16Å; S18-E21 PolarHBondContact O-N 3.23Å; S18-E21 WeakPolarHBondContact OG-CB 3.5Å; S18-E21 PolarHBondContact OG-N 2.8Å; E21-R24 PolarHBondContact O-N 2.99Å; E21-R24 IonicContact OE2-NH1 2.97Å; E21-Q25 WeakPolarHBondContact O-CB 3.12Å; E21-Q25 VanDerWaalsContact O-CG 3.27Å; E21-Q25 WeakPolarHBondContact O-CG 3.14Å; E21-Q25 PolarHBondContact O-N 3.14Å; E21-Q25 WeakPolarHBondContact OE1-CG 3.36Å; E21-Q25 PolarHBondContact OE1-NE2 3.32Å
22F58.9Low56.7Low14 Ų1472.6 Ų72.66%0.06137%0.371CS..Hα-helixtrans-62-48.5173.1-176-99.1000111.4L2 I17 S18 A19 R24 Q25 V26 W60 L68L2-F22 HydrophobicContact CD1-CE2 4.43Å; I17-F22 HydrophobicContact CD1-CB 4.44Å; I17-F22 HydrophobicContact CG1-CB 4.49Å; I17-F22 HydrophobicContact CG2-CB 4.33Å; I17-F22 HydrophobicContact CG2-CD2 4.47Å; S18-F22 PolarHBondContact O-N 3.28Å; A19-F22 PolarHBondContact O-N 2.88Å; F22-R24 PolarHBondContact O-N 3.14Å; F22-Q25 CarbonylContact O-C 3.59Å; F22-Q25 PolarHBondContact O-N 3.37Å; F22-Q25 VanDerWaalsContact O-N 3.17Å; F22-V26 HydrophobicContact CD1-CG2 3.91Å; F22-V26 HydrophobicContact CD2-CG2 4.42Å; F22-V26 HydrophobicContact CE1-CG2 3.5Å; F22-V26 HydrophobicContact CE2-CG2 4.05Å; F22-V26 HydrophobicContact CG-CG2 4.36Å; F22-V26 HydrophobicContact CZ-CG2 3.58Å; F22-V26 WeakPolarHBondContact O-CB 3.45Å; F22-V26 WeakPolarHBondContact O-CG2 3.39Å; F22-V26 PolarHBondContact O-N 3.31Å; F22-W60 HydrophobicContact CB-CG 4.45Å; F22-W60 HydrophobicContact CD1-CD2 4.14Å; F22-W60 AromaticContact CD1-CE2 3.44Å; F22-W60 VanDerWaalsContact CD1-CE2 3.44Å; F22-W60 HydrophobicContact CD1-CH2 4.07Å; F22-W60 AromaticContact CD1-CZ2 3.4Å; F22-W60 HydrophobicContact CD1-CZ2 3.4Å; F22-W60 AromaticContact CD1-NE1 3.7Å; F22-W60 HydrophobicContact CE1-CD2 4.44Å; F22-W60 AromaticContact CE1-CE2 3.95Å; F22-W60 AromaticContact CE1-CH2 3.77Å; F22-W60 HydrophobicContact CE1-CH2 3.77Å; F22-W60 AromaticContact CE1-CZ2 3.6Å; F22-W60 HydrophobicContact CE1-CZ2 3.6Å; F22-W60 HydrophobicContact CE1-CZ3 4.23Å; F22-W60 HydrophobicContact CG-CD2 4.18Å; F22-W60 AromaticContact CG-CE2 3.77Å; F22-W60 HydrophobicContact CG-CG 4.4Å; F22-W60 HydrophobicContact CG-CZ2 4.21Å; F22-W60 AromaticContact CG-NE1 3.69Å; F22-W60 HydrophobicContact CZ-CH2 4.47Å; F22-L68 HydrophobicContact CE1-CD1 3.92Å; F22-L68 HydrophobicContact CZ-CD1 3.83Å
23Q55Low56.7Low60 Ų6074.5 Ų74.528%0.2837%0.372SS..Hα-helixtrans-59.9-46.4176.9-179.9177.8-700111.2A19 Y20 Q25 V26 Q27A19-Q23 VanDerWaalsContact O-CB 3.24Å; A19-Q23 WeakPolarHBondContact O-CB 3.42Å; A19-Q23 PolarHBondContact O-N 2.88Å; Y20-Q23 PolarHBondContact O-N 3.36Å; Q23-Q25 VanDerWaalsContact C-N 3.29Å; Q23-Q25 PolarHBondContact O-N 2.83Å; Q23-V26 PolarHBondContact O-N 2.73Å; Q23-Q27 HydrophobicContact CG-CG 4.15Å; Q23-Q27 VanDerWaalsContact NE2-NE2 3.13Å; Q23-Q27 WeakPolarHBondContact O-CB 3.38Å; Q23-Q27 WeakPolarHBondContact O-CG 3.43Å; Q23-Q27 PolarHBondContact O-N 2.86Å
24R63.4Low56.2Low103 Ų10373.1 Ų73.139%0.38936%0.364SS..Hα-helixtrans-59.1-41.7174.9-81.9-167.473.8-156.911.4111.9Y20 E21 F22 K28Y20-R24 HydrophobicContact CD1-CG 4.46Å; Y20-R24 VanDerWaalsContact CE1-CD 3.44Å; Y20-R24 HydrophobicContact CE1-CG 4.13Å; Y20-R24 HydrophobicContact CE2-CG 4.29Å; Y20-R24 WeakPolarHBondContact O-CB 3.24Å; Y20-R24 WeakPolarHBondContact O-CG 3.28Å; Y20-R24 PolarHBondContact O-N 3.06Å; E21-R24 PolarHBondContact O-N 2.99Å; E21-R24 IonicContact OE2-NH1 2.97Å; F22-R24 PolarHBondContact O-N 3.14Å; R24-K28 VanDerWaalsContact O-CG 3.29Å; R24-K28 WeakPolarHBondContact O-CG 3.16Å; R24-K28 PolarHBondContact O-N 3.44Å; R24-K28 VanDerWaalsContact O-N 3.11Å
25Q59.5Low55.9Low13 Ų1370.8 Ų70.86%0.06135%0.352CS..Hα-helixtrans-70.5-42.9179-69.3-168.926.100111.1L2 T5 E21 F22 Q23 K28 F29L2-Q25 HydrophobicContact CB-CB 4.12Å; L2-Q25 HydrophobicContact CD1-CB 3.34Å; L2-Q25 HydrophobicContact CG-CB 4.31Å; T5-Q25 PolarHBondContact OG1-NE2 3.28Å; T5-Q25 PolarHBondContact OG1-OE1 3.4Å; E21-Q25 WeakPolarHBondContact O-CB 3.12Å; E21-Q25 VanDerWaalsContact O-CG 3.27Å; E21-Q25 WeakPolarHBondContact O-CG 3.14Å; E21-Q25 PolarHBondContact O-N 3.14Å; E21-Q25 WeakPolarHBondContact OE1-CG 3.36Å; E21-Q25 PolarHBondContact OE1-NE2 3.32Å; F22-Q25 CarbonylContact O-C 3.59Å; F22-Q25 PolarHBondContact O-N 3.37Å; F22-Q25 VanDerWaalsContact O-N 3.17Å; Q23-Q25 VanDerWaalsContact C-N 3.29Å; Q23-Q25 PolarHBondContact O-N 2.83Å; Q25-K28 WeakPolarHBondContact O-CB 3.2Å; Q25-K28 PolarHBondContact O-N 2.77Å; Q25-F29 WeakPolarHBondContact O-CD2 3.37Å
26V56.4Low55.7Low16 Ų1668.5 Ų68.510%0.09733%0.334CS..Hα-helixtrans-62.6-44.3174.1173.70000110.7L2 F22 Q23 K28 F29 W30 S35L2-V26 HydrophobicContact CD1-CG2 4.1Å; L2-V26 HydrophobicContact CD2-CG2 4.35Å; F22-V26 HydrophobicContact CD1-CG2 3.91Å; F22-V26 HydrophobicContact CD2-CG2 4.42Å; F22-V26 HydrophobicContact CE1-CG2 3.5Å; F22-V26 HydrophobicContact CE2-CG2 4.05Å; F22-V26 HydrophobicContact CG-CG2 4.36Å; F22-V26 HydrophobicContact CZ-CG2 3.58Å; F22-V26 WeakPolarHBondContact O-CB 3.45Å; F22-V26 WeakPolarHBondContact O-CG2 3.39Å; F22-V26 PolarHBondContact O-N 3.31Å; Q23-V26 PolarHBondContact O-N 2.73Å; V26-K28 PolarHBondContact O-N 3.44Å; V26-F29 CarbonylContact O-C 3.48Å; V26-F29 WeakPolarHBondContact O-CA 3.39Å; V26-F29 PolarHBondContact O-N 2.87Å; V26-W30 HydrophobicContact CB-CE3 4.44Å; V26-W30 HydrophobicContact CG1-CB 4.48Å; V26-W30 HydrophobicContact CG1-CD2 4.46Å; V26-W30 HydrophobicContact CG1-CE3 3.71Å; V26-W30 HydrophobicContact CG1-CZ3 4.39Å; V26-W30 PolarHBondContact O-N 3.38Å; V26-S35 WeakPolarHBondContact CG1-OG 3.49Å
27Q56.7Low55.9Low71 Ų7168.9 Ų68.933%0.33234%0.336SS..Hα-helixtrans-61-27.8177.4-77.7178.8-20.100113.4Q23 F29 W30Q23-Q27 HydrophobicContact CG-CG 4.15Å; Q23-Q27 VanDerWaalsContact NE2-NE2 3.13Å; Q23-Q27 WeakPolarHBondContact O-CB 3.38Å; Q23-Q27 WeakPolarHBondContact O-CG 3.43Å; Q23-Q27 PolarHBondContact O-N 2.86Å; Q27-F29 VanDerWaalsContact C-N 3.28Å; Q27-W30 CarbonylContact C-O 3.5Å; Q27-W30 WeakPolarHBondContact CA-O 3.33Å
28K59.6Low56Low117 Ų11770 Ų7051%0.50934%0.342SS..Hα-helixtrans-69.6-25.2171.6-75.8172.6-179.5-177.40112.9R24 Q25 V26R24-K28 VanDerWaalsContact O-CG 3.29Å; R24-K28 WeakPolarHBondContact O-CG 3.16Å; R24-K28 PolarHBondContact O-N 3.44Å; R24-K28 VanDerWaalsContact O-N 3.11Å; Q25-K28 WeakPolarHBondContact O-CB 3.2Å; Q25-K28 PolarHBondContact O-N 2.77Å; V26-K28 PolarHBondContact O-N 3.44Å
29F51.9Low56.1Low112 Ų11268.4 Ų68.449%0.49133%0.328SS..Hα-helixtrans-102.6-24.8179.4-73.5-84.5000113L2 Q25 V26 Q27L2-F29 HydrophobicContact CB-CD2 3.44Å; L2-F29 VanDerWaalsContact CB-CD2 3.44Å; L2-F29 HydrophobicContact CB-CE2 3.16Å; L2-F29 HydrophobicContact CB-CZ 4.03Å; L2-F29 HydrophobicContact CD2-CD2 3.75Å; L2-F29 HydrophobicContact CD2-CE2 4.33Å; L2-F29 HydrophobicContact CD2-CG 4.28Å; L2-F29 HydrophobicContact CG-CD2 4.21Å; L2-F29 HydrophobicContact CG-CE2 4.36Å; Q25-F29 WeakPolarHBondContact O-CD2 3.37Å; V26-F29 CarbonylContact O-C 3.48Å; V26-F29 WeakPolarHBondContact O-CA 3.39Å; V26-F29 PolarHBondContact O-N 2.87Å; Q27-F29 VanDerWaalsContact C-N 3.28Å
30W48.9Very low56.6Low102 Ų10272 Ų7239%0.38634%0.344SS..SBendtrans-133.1130.1-178.3-73.5-84000110.2L2 V26 Q27 S32 S35L2-W30 HydrophobicContact CD2-CH2 4.48Å; L2-W30 HydrophobicContact CD2-CZ3 3.69Å; V26-W30 HydrophobicContact CB-CE3 4.44Å; V26-W30 HydrophobicContact CG1-CB 4.48Å; V26-W30 HydrophobicContact CG1-CD2 4.46Å; V26-W30 HydrophobicContact CG1-CE3 3.71Å; V26-W30 HydrophobicContact CG1-CZ3 4.39Å; V26-W30 PolarHBondContact O-N 3.38Å; Q27-W30 CarbonylContact C-O 3.5Å; Q27-W30 WeakPolarHBondContact CA-O 3.33Å; W30-S32 PolarHBondContact O-N 2.76Å; W30-S35 VanDerWaalsContact CB-OG 3.3Å; W30-S35 WeakPolarHBondContact CB-OG 3.33Å; W30-S35 PolarHBondContact O-OG 2.9Å
31P52.2Low56.8Low81 Ų8173.3 Ų73.353%0.52635%0.348SS..  trans-51.3141.4172.6-20.729.2000111.2T33 Y34P31-T33 PolarHBondContact O-N 3.45Å; P31-Y34 PolarHBondContact O-N 3.41Å
32S53.4Low57.1Low65 Ų6572.5 Ų72.546%0.45535%0.345SS..Hα-helixtrans-56.1-30.8-162.656.20000115.3W30 V36W30-S32 PolarHBondContact O-N 2.76Å; S32-V36 VanDerWaalsContact O-CG2 3.29Å; S32-V36 WeakPolarHBondContact O-CG2 3.2Å; S32-V36 PolarHBondContact O-N 2.89Å
33T56.3Low57.3Low95 Ų9572.4 Ų72.458%0.58335%0.348SS*.Hα-helixtrans-63.6-51.9-177.538.80000112.3P31 S35 V36 E37P31-T33 PolarHBondContact O-N 3.45Å; T33-S35 VanDerWaalsContact C-N 3.34Å; T33-S35 PolarHBondContact O-N 3.04Å; T33-V36 PolarHBondContact O-N 2.86Å; T33-E37 WeakPolarHBondContact O-CB 3.35Å; T33-E37 PolarHBondContact O-N 2.68Å
34Y51.5Low57.8Low139 Ų13977.5 Ų77.555%0.54537%0.369SS..Hα-helixtrans-65.1-38.5-178.3-71-75.1000113P31 V36 E37 L38P31-Y34 PolarHBondContact O-N 3.41Å; Y34-V36 PolarHBondContact O-N 3.48Å; Y34-E37 PolarHBondContact O-N 3.22Å; Y34-L38 WeakPolarHBondContact O-CB 3.12Å; Y34-L38 PolarHBondContact O-N 3.33Å
35S51.3Low57.9Low6 Ų673.9 Ų73.94%0.04236%0.361CS..Hα-helixtrans-62.3-45.9-179.7-54.10000111.1V26 W30 T33 L39V26-S35 WeakPolarHBondContact CG1-OG 3.49Å; W30-S35 VanDerWaalsContact CB-OG 3.3Å; W30-S35 WeakPolarHBondContact CB-OG 3.33Å; W30-S35 PolarHBondContact O-OG 2.9Å; T33-S35 VanDerWaalsContact C-N 3.34Å; T33-S35 PolarHBondContact O-N 3.04Å; S35-L39 WeakPolarHBondContact O-CB 3.47Å; S35-L39 WeakPolarHBondContact O-CD1 3.32Å; S35-L39 WeakPolarHBondContact O-CG 3.15Å; S35-L39 PolarHBondContact O-N 3.06Å
36V55.3Low58Low51 Ų5173.2 Ų73.231%0.30936%0.358SS..Hα-helixtrans-70-42.2179.8173.70000110.6S32 T33 Y34 L38 L39 N40S32-V36 VanDerWaalsContact O-CG2 3.29Å; S32-V36 WeakPolarHBondContact O-CG2 3.2Å; S32-V36 PolarHBondContact O-N 2.89Å; T33-V36 PolarHBondContact O-N 2.86Å; Y34-V36 PolarHBondContact O-N 3.48Å; V36-L38 PolarHBondContact O-N 3.32Å; V36-L39 PolarHBondContact O-N 3.39Å; V36-N40 WeakPolarHBondContact O-CB 3.47Å; V36-N40 PolarHBondContact O-N 3.49Å
37E59.6Low58.4Low91 Ų9174.6 Ų74.643%0.42537%0.365SS..Hα-helixtrans-64.7-41.7-179.7-142-168.3150.900111.9T33 Y34 N40 R41T33-E37 WeakPolarHBondContact O-CB 3.35Å; T33-E37 PolarHBondContact O-N 2.68Å; Y34-E37 PolarHBondContact O-N 3.22Å; E37-N40 PolarHBondContact O-N 3Å; E37-R41 WeakPolarHBondContact O-CB 3.45Å; E37-R41 WeakPolarHBondContact O-CG 3.24Å; E37-R41 PolarHBondContact O-N 2.93Å; E37-R41 IonicContact OE1-CZ 3.82Å; E37-R41 IonicContact OE1-NE 3.03Å; E37-R41 IonicContact OE1-NH2 2.76Å; E37-R41 PolarHBondContact OE1-NH2 2.91Å
38L60.1Low58.9Low42 Ų4277.4 Ų77.422%0.2238%0.382CS..Hα-helixtrans-64.2-43.4175.3-171.9146.1000111.4Y34 V36 N40 R41 H42 L68 L72 L75Y34-L38 WeakPolarHBondContact O-CB 3.12Å; Y34-L38 PolarHBondContact O-N 3.33Å; V36-L38 PolarHBondContact O-N 3.32Å; L38-N40 VanDerWaalsContact C-N 3.33Å; L38-N40 PolarHBondContact O-N 3.1Å; L38-R41 PolarHBondContact O-N 3.18Å; L38-H42 WeakPolarHBondContact O-CB 3.43Å; L38-H42 PolarHBondContact O-CD2 2.83Å; L38-H42 VanDerWaalsContact O-CD2 3.22Å; L38-H42 PolarHBondContact O-N 3.41Å; L38-L68 HydrophobicContact CD2-CD2 3.9Å; L38-L72 HydrophobicContact CD1-CD2 3.99Å; L38-L75 HydrophobicContact CD1-CD1 3.31Å; L38-L75 HydrophobicContact CG-CD1 4.34Å
39L59.1Low59.1Low30 Ų3074.2 Ų74.216%0.15737%0.37CS..Hα-helixtrans-62.7-39.5174-73172.3000111.9S35 V36 H42 G43 L46 W60 L68S35-L39 WeakPolarHBondContact O-CB 3.47Å; S35-L39 WeakPolarHBondContact O-CD1 3.32Å; S35-L39 WeakPolarHBondContact O-CG 3.15Å; S35-L39 PolarHBondContact O-N 3.06Å; V36-L39 PolarHBondContact O-N 3.39Å; L39-H42 CarbonylContact O-C 3.48Å; L39-H42 PolarHBondContact O-N 3.3Å; L39-G43 VanDerWaalsContact O-CA 3.24Å; L39-G43 WeakPolarHBondContact O-CA 3.37Å; L39-G43 PolarHBondContact O-N 2.85Å; L39-L46 HydrophobicContact CD2-CD1 4.4Å; L39-W60 HydrophobicContact CD2-CH2 3.52Å; L39-W60 HydrophobicContact CD2-CZ2 3.81Å; L39-L68 HydrophobicContact CD2-CD1 4.31Å
40N62Low59.6Low92 Ų9271.4 Ų71.449%0.49237%0.373SS..Hα-helixtrans-67.1-45177.1-79.4-17.4000111.6V36 E37 L38 H42 G43V36-N40 WeakPolarHBondContact O-CB 3.47Å; V36-N40 PolarHBondContact O-N 3.49Å; E37-N40 PolarHBondContact O-N 3Å; L38-N40 VanDerWaalsContact C-N 3.33Å; L38-N40 PolarHBondContact O-N 3.1Å; N40-H42 VanDerWaalsContact C-N 3.26Å; N40-H42 PolarHBondContact O-N 2.83Å; N40-G43 PolarHBondContact O-N 3.28Å
41R62.2Low60Low183 Ų18370 Ų7069%0.69138%0.375SS*.Hα-helixtrans-60.7-37176.8-74.2179.6-169.7-1685.5112.1E37 L38E37-R41 WeakPolarHBondContact O-CB 3.45Å; E37-R41 WeakPolarHBondContact O-CG 3.24Å; E37-R41 PolarHBondContact O-N 2.93Å; E37-R41 IonicContact OE1-CZ 3.82Å; E37-R41 IonicContact OE1-NE 3.03Å; E37-R41 IonicContact OE1-NH2 2.76Å; E37-R41 PolarHBondContact OE1-NH2 2.91Å; L38-R41 PolarHBondContact O-N 3.18Å
42H64.8Low60Low40 Ų4069.6 Ų69.619%0.18537%0.373CS..Hα-helixtrans-96.71.4179.5-66.3-60.5000114.3L38 L39 N40 K44 A45 L46 Y67L38-H42 WeakPolarHBondContact O-CB 3.43Å; L38-H42 PolarHBondContact O-CD2 2.83Å; L38-H42 VanDerWaalsContact O-CD2 3.22Å; L38-H42 PolarHBondContact O-N 3.41Å; L39-H42 CarbonylContact O-C 3.48Å; L39-H42 PolarHBondContact O-N 3.3Å; N40-H42 VanDerWaalsContact C-N 3.26Å; N40-H42 PolarHBondContact O-N 2.83Å; H42-K44 PolarHBondContact O-N 3.22Å; H42-A45 PolarHBondContact O-N 3.35Å; H42-A45 VanDerWaalsContact O-N 3.07Å; H42-L46 HydrophobicContact CB-CD1 4.14Å; H42-L46 HydrophobicContact CB-CG 4.31Å; H42-L46 WeakPolarHBondContact O-CB 3.49Å; H42-L46 VanDerWaalsContact O-CG 3.27Å; H42-L46 WeakPolarHBondContact O-CG 3.16Å; H42-L46 PolarHBondContact O-N 3.35Å; H42-Y67 HydrophobicContact CB-CE1 4.2Å; H42-Y67 AromaticContact ND1-CE1 3.83Å
43G63.4Low60Low12 Ų1267.8 Ų67.812%0.12436%0.358CS..Hα-helixtrans-54.4-53.7-173.900000111.5L39 N40 A45 L46 D47L39-G43 VanDerWaalsContact O-CA 3.24Å; L39-G43 WeakPolarHBondContact O-CA 3.37Å; L39-G43 PolarHBondContact O-N 2.85Å; N40-G43 PolarHBondContact O-N 3.28Å; G43-A45 VanDerWaalsContact C-N 3.32Å; G43-A45 PolarHBondContact O-N 3.22Å; G43-L46 PolarHBondContact O-N 3.43Å; G43-D47 PolarHBondContact O-N 3.14Å
44K65.5Low59.4Low166 Ų16673 Ų7372%0.72237%0.367SS*.Hα-helixtrans-60.6-37.6178.2-167.8174.9-176.6178.80113.6H42 D47 N48H42-K44 PolarHBondContact O-N 3.22Å; K44-D47 PolarHBondContact O-N 3.36Å; K44-N48 VanDerWaalsContact O-CG 3.27Å; K44-N48 PolarHBondContact O-N 3.17Å; K44-N48 PolarHBondContact O-ND2 2.85Å
45A65.5Low59Low27 Ų2774.6 Ų74.622%0.22338%0.377CS..Hα-helixtrans-69.1-42.117800000111.1H42 G43 D47 N48 L49 Y67H42-A45 PolarHBondContact O-N 3.35Å; H42-A45 VanDerWaalsContact O-N 3.07Å; G43-A45 VanDerWaalsContact C-N 3.32Å; G43-A45 PolarHBondContact O-N 3.22Å; A45-D47 VanDerWaalsContact C-N 3.32Å; A45-D47 PolarHBondContact O-N 3.02Å; A45-N48 PolarHBondContact O-N 3.46Å; A45-L49 WeakPolarHBondContact O-CG 3.44Å; A45-L49 PolarHBondContact O-N 3.18Å; A45-Y67 HydrophobicContact CB-CE1 3.87Å; A45-Y67 HydrophobicContact CB-CE2 4.32Å; A45-Y67 WeakPolarHBondContact CB-OH 3.46Å
46L63.2Low58.5Low0 Ų078.3 Ų78.30%042%0.416CS..Hα-helixtrans-66.3-35.4175.7-67.7168.7000111.8L39 H42 G43 N48 L49 I53 W60 K64 Y67 L68L39-L46 HydrophobicContact CD2-CD1 4.4Å; H42-L46 HydrophobicContact CB-CD1 4.14Å; H42-L46 HydrophobicContact CB-CG 4.31Å; H42-L46 WeakPolarHBondContact O-CB 3.49Å; H42-L46 VanDerWaalsContact O-CG 3.27Å; H42-L46 WeakPolarHBondContact O-CG 3.16Å; H42-L46 PolarHBondContact O-N 3.35Å; G43-L46 PolarHBondContact O-N 3.43Å; L46-N48 VanDerWaalsContact C-N 3.31Å; L46-N48 PolarHBondContact O-N 3.49Å; L46-L49 HydrophobicContact CD2-CD1 4.4Å; L46-L49 PolarHBondContact O-N 3.07Å; L46-L49 VanDerWaalsContact O-N 3.17Å; L46-I53 HydrophobicContact CB-CD1 3.29Å; L46-I53 HydrophobicContact CB-CG1 4.26Å; L46-I53 HydrophobicContact CD1-CD1 3.55Å; L46-I53 HydrophobicContact CG-CD1 4.05Å; L46-W60 HydrophobicContact CD1-CH2 3.99Å; L46-W60 HydrophobicContact CD1-CZ3 4.27Å; L46-W60 HydrophobicContact CD2-CZ3 4.26Å; L46-K64 HydrophobicContact CD2-CB 3.89Å; L46-K64 HydrophobicContact CD2-CG 4.08Å; L46-K64 WeakPolarHBondContact O-CE 3.48Å; L46-Y67 HydrophobicContact CD2-CD1 3.76Å; L46-Y67 HydrophobicContact CD2-CG 4.5Å; L46-Y67 HydrophobicContact CG-CD1 4.35Å; L46-L68 HydrophobicContact CD1-CD2 4.19Å; L46-L68 HydrophobicContact CD1-CG 4.43Å; L46-L68 HydrophobicContact CD2-CD2 4.39Å; L46-L68 HydrophobicContact CD2-CG 4.09Å
47D64.7Low58Low45 Ų4578.6 Ų78.624%0.24143%0.429CS..Hα-helixtrans-60.3-44174.4-69.86.8000111.2G43 K44 A45 L49 G50 P52 I53G43-D47 PolarHBondContact O-N 3.14Å; K44-D47 PolarHBondContact O-N 3.36Å; A45-D47 VanDerWaalsContact C-N 3.32Å; A45-D47 PolarHBondContact O-N 3.02Å; D47-L49 PolarHBondContact O-N 3.31Å; D47-G50 CarbonylContact O-C 3.51Å; D47-G50 PolarHBondContact O-N 2.75Å; D47-P52 HydrophobicContact CB-CB 4.31Å; D47-I53 VanDerWaalsContact CG-N 3.32Å; D47-I53 WeakPolarHBondContact OD1-CA 3.31Å; D47-I53 WeakPolarHBondContact OD1-CB 3.49Å; D47-I53 WeakPolarHBondContact OD1-CG1 3.3Å; D47-I53 PolarHBondContact OD1-N 2.86Å
48N67Low57.8Low130 Ų13075.2 Ų75.270%0.69541%0.414SS*.Hα-helixtrans-66.1-16.2178.4-69.8-19.1000113.5K44 A45 L46 G50K44-N48 VanDerWaalsContact O-CG 3.27Å; K44-N48 PolarHBondContact O-N 3.17Å; K44-N48 PolarHBondContact O-ND2 2.85Å; A45-N48 PolarHBondContact O-N 3.46Å; L46-N48 VanDerWaalsContact C-N 3.31Å; L46-N48 PolarHBondContact O-N 3.49Å; N48-G50 PolarHBondContact O-N 3.36Å
49L63Low57.4Low50 Ų5080.3 Ų80.326%0.26243%0.43SS..THydrogen-bonded Turntrans-82.610.4177-65.2172.9000113.6A45 L46 D47 K64 Y67A45-L49 WeakPolarHBondContact O-CG 3.44Å; A45-L49 PolarHBondContact O-N 3.18Å; L46-L49 HydrophobicContact CD2-CD1 4.4Å; L46-L49 PolarHBondContact O-N 3.07Å; L46-L49 VanDerWaalsContact O-N 3.17Å; D47-L49 PolarHBondContact O-N 3.31Å; L49-K64 HydrophobicContact CB-CG 4.06Å; L49-K64 HydrophobicContact CD1-CG 4.41Å; L49-Y67 HydrophobicContact CD1-CD1 4.25Å; L49-Y67 HydrophobicContact CD1-CD2 3.92Å; L49-Y67 HydrophobicContact CD1-CG 3.57Å
50G62.8Low57.2Low53 Ų5379 Ų7955%0.54642%0.423SS..SBendtrans144.2-93169.800000110.8D47 N48D47-G50 CarbonylContact O-C 3.51Å; D47-G50 PolarHBondContact O-N 2.75Å; N48-G50 PolarHBondContact O-N 3.36Å
51T56.3Low56.9Low72 Ų7276.5 Ų76.544%0.44241%0.41SS..SBendtrans-84.8125.6-176.7-40.50000110.5I53 K64T51-I53 PolarHBondContact O-N 3.35Å; T51-K64 WeakPolarHBondContact O-CE 3.27Å; T51-K64 PolarHBondContact O-NZ 3.3Å
52P53.2Low56.8Low72 Ų7273.3 Ų73.347%0.46840%0.401SS..  trans-56.6137.9173.5-23.432.4000112.4D47 R54D47-P52 HydrophobicContact CB-CB 4.31Å; P52-R54 VanDerWaalsContact C-N 3.28Å; P52-R54 PolarHBondContact O-N 3.17Å
53I53.3Low56.6Low27 Ų2780.1 Ų80.114%0.13843%0.425CS..  trans-72.885.1168.8-62.9167.7000106.8L46 D47 T51 I58L46-I53 HydrophobicContact CB-CD1 3.29Å; L46-I53 HydrophobicContact CB-CG1 4.26Å; L46-I53 HydrophobicContact CD1-CD1 3.55Å; L46-I53 HydrophobicContact CG-CD1 4.05Å; D47-I53 VanDerWaalsContact CG-N 3.32Å; D47-I53 WeakPolarHBondContact OD1-CA 3.31Å; D47-I53 WeakPolarHBondContact OD1-CB 3.49Å; D47-I53 WeakPolarHBondContact OD1-CG1 3.3Å; D47-I53 PolarHBondContact OD1-N 2.86Å; T51-I53 PolarHBondContact O-N 3.35Å; I53-I58 HydrophobicContact CB-CD1 4.4Å; I53-I58 HydrophobicContact CB-CG1 4.4Å; I53-I58 HydrophobicContact CG1-CD1 4.26Å; I53-I58 HydrophobicContact CG1-CG1 4.37Å; I53-I58 HydrophobicContact CG1-CG2 4.44Å; I53-I58 HydrophobicContact CG2-CD1 3.46Å; I53-I58 VanDerWaalsContact CG2-CD1 3.46Å; I53-I58 HydrophobicContact CG2-CG1 3.76Å
54R44.7Very low56.5Low205 Ų20579.6 Ų79.677%0.77442%0.419SS*.  trans-85.4123.7158.1-65.8-169.7178.6-160.40.6107.6P52 G56 G57P52-R54 VanDerWaalsContact C-N 3.28Å; P52-R54 PolarHBondContact O-N 3.17Å; R54-G56 PolarHBondContact O-N 3.4Å; R54-G57 PolarHBondContact O-N 3.19Å
55F42.3Very low56.3Low173 Ų17372.1 Ų72.176%0.75939%0.387SS*.THydrogen-bonded Turntrans-5399.5170.3-79.6-89.7000108.5
56G40.8Very low56Low84 Ų8473.5 Ų73.587%0.86639%0.39SS*.THydrogen-bonded Turntrans148.3-18.1-175.300000115R54R54-G56 PolarHBondContact O-N 3.4Å
57G44.8Very low56Low56 Ų5677 Ų7758%0.57740%0.404SS*.  trans-172.754.4-177.400000115.2R54 R59R54-G57 PolarHBondContact O-N 3.19Å; G57-R59 PolarHBondContact O-N 3.49Å
58I54.4Low55.9Low21 Ų2175.1 Ų75.111%0.10839%0.394CS..  trans-68.4121.3174.5-48.8172.6000109.1S18 A19 I53 W60S18-I58 CarbonylContact C-O 3.53Å; S18-I58 WeakPolarHBondContact CA-O 3.45Å; A19-I58 HydrophobicContact CB-CB 3.41Å; A19-I58 VanDerWaalsContact CB-CB 3.41Å; A19-I58 HydrophobicContact CB-CD1 3.54Å; A19-I58 HydrophobicContact CB-CG1 3.4Å; A19-I58 PolarHBondContact N-O 2.9Å; I53-I58 HydrophobicContact CB-CD1 4.4Å; I53-I58 HydrophobicContact CB-CG1 4.4Å; I53-I58 HydrophobicContact CG1-CD1 4.26Å; I53-I58 HydrophobicContact CG1-CG1 4.37Å; I53-I58 HydrophobicContact CG1-CG2 4.44Å; I53-I58 HydrophobicContact CG2-CD1 3.46Å; I53-I58 VanDerWaalsContact CG2-CD1 3.46Å; I53-I58 HydrophobicContact CG2-CG1 3.76Å; I58-W60 HydrophobicContact CD1-CZ2 4.26Å; I58-W60 HydrophobicContact CG2-CD2 4.12Å; I58-W60 HydrophobicContact CG2-CG 4Å; I58-W60 HydrophobicContact CG2-CZ2 4.43Å
59R53.1Low55.5Low149 Ų14970.4 Ų70.456%0.56237%0.371SS*.BIsolated β-bridgetrans-90.3110.4155.4-71.4174.6170.9-140.97.3108E16 G57 N61E16-R59 HydrophobicContact CG-CB 4.48Å; E16-R59 WeakPolarHBondContact OE1-CD 3.21Å; E16-R59 IonicContact OE1-CZ 3.97Å; E16-R59 IonicContact OE1-NE 3.26Å; E16-R59 IonicContact OE1-NH1 3.62Å; E16-R59 PolarHBondContact OE1-NH1 3.31Å; E16-R59 VanDerWaalsContact OE2-CD 3.25Å; E16-R59 WeakPolarHBondContact OE2-CD 3.45Å; E16-R59 WeakPolarHBondContact OE2-CG 3.35Å; E16-R59 IonicContact OE2-CZ 3.28Å; E16-R59 VanDerWaalsContact OE2-CZ 3.26Å; E16-R59 IonicContact OE2-NE 3.93Å; E16-R59 PolarHBondContact OE2-NE 2.87Å; E16-R59 IonicContact OE2-NH1 3.58Å; E16-R59 PolarHBondContact OE2-NH1 3.5Å; G57-R59 PolarHBondContact O-N 3.49Å; R59-N61 PolarHBondContact O-N 3.22Å
60W54.9Low55.5Low2 Ų272.6 Ų72.61%0.00838%0.383CS..  trans-80.9108.5173.8-72.990.2000109.2I17 F22 L39 L46 I58 K64 I65 L68I17-W60 HydrophobicContact CG2-CB 3.61Å; I17-W60 HydrophobicContact CG2-CG 4.03Å; I17-W60 PolarHBondContact O-N 2.95Å; F22-W60 HydrophobicContact CB-CG 4.45Å; F22-W60 HydrophobicContact CD1-CD2 4.14Å; F22-W60 AromaticContact CD1-CE2 3.44Å; F22-W60 VanDerWaalsContact CD1-CE2 3.44Å; F22-W60 HydrophobicContact CD1-CH2 4.07Å; F22-W60 AromaticContact CD1-CZ2 3.4Å; F22-W60 HydrophobicContact CD1-CZ2 3.4Å; F22-W60 AromaticContact CD1-NE1 3.7Å; F22-W60 HydrophobicContact CE1-CD2 4.44Å; F22-W60 AromaticContact CE1-CE2 3.95Å; F22-W60 AromaticContact CE1-CH2 3.77Å; F22-W60 HydrophobicContact CE1-CH2 3.77Å; F22-W60 AromaticContact CE1-CZ2 3.6Å; F22-W60 HydrophobicContact CE1-CZ2 3.6Å; F22-W60 HydrophobicContact CE1-CZ3 4.23Å; F22-W60 HydrophobicContact CG-CD2 4.18Å; F22-W60 AromaticContact CG-CE2 3.77Å; F22-W60 HydrophobicContact CG-CG 4.4Å; F22-W60 HydrophobicContact CG-CZ2 4.21Å; F22-W60 AromaticContact CG-NE1 3.69Å; F22-W60 HydrophobicContact CZ-CH2 4.47Å; L39-W60 HydrophobicContact CD2-CH2 3.52Å; L39-W60 HydrophobicContact CD2-CZ2 3.81Å; L46-W60 HydrophobicContact CD1-CH2 3.99Å; L46-W60 HydrophobicContact CD1-CZ3 4.27Å; L46-W60 HydrophobicContact CD2-CZ3 4.26Å; I58-W60 HydrophobicContact CD1-CZ2 4.26Å; I58-W60 HydrophobicContact CG2-CD2 4.12Å; I58-W60 HydrophobicContact CG2-CG 4Å; I58-W60 HydrophobicContact CG2-CZ2 4.43Å; W60-K64 HydrophobicContact CE3-CB 3.93Å; W60-K64 HydrophobicContact CZ3-CB 4.17Å; W60-I65 HydrophobicContact CB-CD1 4.3Å; W60-I65 HydrophobicContact CB-CG1 4.37Å; W60-I65 HydrophobicContact CE3-CG1 4.24Å; W60-L68 HydrophobicContact CE3-CD1 4.31Å; W60-L68 HydrophobicContact CH2-CD1 3.4Å; W60-L68 HydrophobicContact CH2-CG 4.33Å; W60-L68 HydrophobicContact CZ3-CD1 3.24Å; W60-L68 HydrophobicContact CZ3-CG 3.94Å
61N55.4Low55.1Low40 Ų4071 Ų7121%0.21436%0.363CS..  trans-92166.8173.369.131.3000110.9R59 R63 K64 I65R59-N61 PolarHBondContact O-N 3.22Å; N61-R63 PolarHBondContact O-N 3.16Å; N61-R63 WeakPolarHBondContact OD1-CB 3.18Å; N61-R63 PolarHBondContact OD1-N 3.48Å; N61-R63 VanDerWaalsContact OD1-N 3.1Å; N61-K64 PolarHBondContact O-N 3.33Å; N61-K64 PolarHBondContact OD1-N 3.23Å; N61-I65 WeakPolarHBondContact O-CG1 3.47Å; N61-I65 PolarHBondContact O-N 3.41Å; N61-I65 VanDerWaalsContact O-N 3.16Å
62K59.9Low55Low115 Ų11570.7 Ų70.750%0.536%0.359SS..Hα-helixtrans-54.3-35.3179.3-174.7172.4177.4170.70113.3K10 I65 N66K10-K62 PolarHBondContact O-NZ 3.46Å; K62-I65 PolarHBondContact O-N 2.76Å; K62-N66 WeakPolarHBondContact O-CB 3.45Å; K62-N66 VanDerWaalsContact O-CG 3.28Å; K62-N66 PolarHBondContact O-N 2.85Å
63R61.5Low54.7Low184 Ų18470.6 Ų70.669%0.69436%0.36SS*.Hα-helixtrans-66-46.5179.8-66-175.9-175.4174.70.6111.9N61 I65 N66 Y67N61-R63 PolarHBondContact O-N 3.16Å; N61-R63 WeakPolarHBondContact OD1-CB 3.18Å; N61-R63 PolarHBondContact OD1-N 3.48Å; N61-R63 VanDerWaalsContact OD1-N 3.1Å; R63-I65 VanDerWaalsContact C-N 3.34Å; R63-I65 PolarHBondContact O-N 2.68Å; R63-N66 PolarHBondContact O-N 3.12Å; R63-Y67 WeakPolarHBondContact O-CB 3.36Å; R63-Y67 PolarHBondContact O-N 3.27Å
64K59.7Low53.7Low1 Ų173.3 Ų73.30%0.00438%0.378CS..Hα-helixtrans-62.9-40.6176.6-71.3-176.1-176.5-169.30112.5L46 L49 T51 W60 N61 Y67 L68L46-K64 HydrophobicContact CD2-CB 3.89Å; L46-K64 HydrophobicContact CD2-CG 4.08Å; L46-K64 WeakPolarHBondContact O-CE 3.48Å; L49-K64 HydrophobicContact CB-CG 4.06Å; L49-K64 HydrophobicContact CD1-CG 4.41Å; T51-K64 WeakPolarHBondContact O-CE 3.27Å; T51-K64 PolarHBondContact O-NZ 3.3Å; W60-K64 HydrophobicContact CE3-CB 3.93Å; W60-K64 HydrophobicContact CZ3-CB 4.17Å; N61-K64 PolarHBondContact O-N 3.33Å; N61-K64 PolarHBondContact OD1-N 3.23Å; K64-Y67 PolarHBondContact O-N 3.43Å; K64-L68 PolarHBondContact O-N 3Å
65I61.2Low53.3Low8 Ų867.2 Ų67.24%0.04136%0.36CS..Hα-helixtrans-68-40.6178-64.5160.4000110.5I6 L9 W60 N61 K62 R63 L68 S69I6-I65 HydrophobicContact CG2-CG2 4.35Å; L9-I65 HydrophobicContact CB-CD1 3.65Å; L9-I65 HydrophobicContact CD1-CD1 3.48Å; L9-I65 VanDerWaalsContact CD1-CD1 3.48Å; L9-I65 HydrophobicContact CD2-CD1 3.67Å; L9-I65 HydrophobicContact CG-CD1 3.73Å; W60-I65 HydrophobicContact CB-CD1 4.3Å; W60-I65 HydrophobicContact CB-CG1 4.37Å; W60-I65 HydrophobicContact CE3-CG1 4.24Å; N61-I65 WeakPolarHBondContact O-CG1 3.47Å; N61-I65 PolarHBondContact O-N 3.41Å; N61-I65 VanDerWaalsContact O-N 3.16Å; K62-I65 PolarHBondContact O-N 2.76Å; R63-I65 VanDerWaalsContact C-N 3.34Å; R63-I65 PolarHBondContact O-N 2.68Å; I65-L68 PolarHBondContact O-N 2.94Å; I65-S69 WeakPolarHBondContact O-CB 3.32Å; I65-S69 PolarHBondContact O-N 3.38Å
66N60.4Low53.1Low56 Ų5661.2 Ų61.230%0.29934%0.342SS..Hα-helixtrans-63.4-46.4173.5-76.4-4.4000110.6K62 R63 L68 S69 D70K62-N66 WeakPolarHBondContact O-CB 3.45Å; K62-N66 VanDerWaalsContact O-CG 3.28Å; K62-N66 PolarHBondContact O-N 2.85Å; R63-N66 PolarHBondContact O-N 3.12Å; N66-L68 PolarHBondContact O-N 3.5Å; N66-S69 CarbonylContact O-C 3.6Å; N66-S69 WeakPolarHBondContact O-CA 3.5Å; N66-S69 WeakPolarHBondContact O-CB 3.47Å; N66-S69 PolarHBondContact O-N 3.4Å; N66-D70 WeakPolarHBondContact O-CB 3.45Å; N66-D70 PolarHBondContact O-N 3.45Å
67Y63.3Low52.7Low73 Ų7367 Ų6729%0.28634%0.34SS..Hα-helixtrans-57.7-45.9175.3-179-89000112.4H42 A45 L46 L49 R63 K64 D70 C71H42-Y67 HydrophobicContact CB-CE1 4.2Å; H42-Y67 AromaticContact ND1-CE1 3.83Å; A45-Y67 HydrophobicContact CB-CE1 3.87Å; A45-Y67 HydrophobicContact CB-CE2 4.32Å; A45-Y67 WeakPolarHBondContact CB-OH 3.46Å; L46-Y67 HydrophobicContact CD2-CD1 3.76Å; L46-Y67 HydrophobicContact CD2-CG 4.5Å; L46-Y67 HydrophobicContact CG-CD1 4.35Å; L49-Y67 HydrophobicContact CD1-CD1 4.25Å; L49-Y67 HydrophobicContact CD1-CD2 3.92Å; L49-Y67 HydrophobicContact CD1-CG 3.57Å; R63-Y67 WeakPolarHBondContact O-CB 3.36Å; R63-Y67 PolarHBondContact O-N 3.27Å; K64-Y67 PolarHBondContact O-N 3.43Å; Y67-D70 PolarHBondContact O-N 3.06Å; Y67-C71 WeakPolarHBondContact CE1-SG 3.24Å; Y67-C71 WeakPolarHBondContact O-CB 3.37Å; Y67-C71 PolarHBondContact O-N 3.06Å; Y67-C71 PolarHBondContact O-SG 3.22Å
68L61.6Low51.9Low7 Ų768 Ų684%0.03734%0.336CS..Hα-helixtrans-64.5-40.1173.4-82.4-168.9000112.2F22 L38 L39 L46 W60 K64 I65 N66 D70 C71 L72F22-L68 HydrophobicContact CE1-CD1 3.92Å; F22-L68 HydrophobicContact CZ-CD1 3.83Å; L38-L68 HydrophobicContact CD2-CD2 3.9Å; L39-L68 HydrophobicContact CD2-CD1 4.31Å; L46-L68 HydrophobicContact CD1-CD2 4.19Å; L46-L68 HydrophobicContact CD1-CG 4.43Å; L46-L68 HydrophobicContact CD2-CD2 4.39Å; L46-L68 HydrophobicContact CD2-CG 4.09Å; W60-L68 HydrophobicContact CE3-CD1 4.31Å; W60-L68 HydrophobicContact CH2-CD1 3.4Å; W60-L68 HydrophobicContact CH2-CG 4.33Å; W60-L68 HydrophobicContact CZ3-CD1 3.24Å; W60-L68 HydrophobicContact CZ3-CG 3.94Å; K64-L68 PolarHBondContact O-N 3Å; I65-L68 PolarHBondContact O-N 2.94Å; N66-L68 PolarHBondContact O-N 3.5Å; L68-D70 VanDerWaalsContact C-N 3.27Å; L68-D70 PolarHBondContact O-N 3.23Å; L68-C71 PolarHBondContact O-N 3.48Å; L68-L72 WeakPolarHBondContact O-CB 3.39Å; L68-L72 WeakPolarHBondContact O-CD1 3.16Å; L68-L72 WeakPolarHBondContact O-CG 3.49Å; L68-L72 PolarHBondContact O-N 3.4Å
69S58.9Low50.9Low30 Ų3071 Ų7121%0.2135%0.353CS..Hα-helixtrans-60.7-41.6176.6-171.50000110.1K10 I65 N66 L72 S73K10-S69 PolarHBondContact NZ-OG 3.35Å; K10-S69 VanDerWaalsContact NZ-OG 3.13Å; I65-S69 WeakPolarHBondContact O-CB 3.32Å; I65-S69 PolarHBondContact O-N 3.38Å; N66-S69 CarbonylContact O-C 3.6Å; N66-S69 WeakPolarHBondContact O-CA 3.5Å; N66-S69 WeakPolarHBondContact O-CB 3.47Å; N66-S69 PolarHBondContact O-N 3.4Å; S69-L72 CarbonylContact O-C 3.41Å; S69-L72 PolarHBondContact O-N 3.21Å; S69-S73 VanDerWaalsContact O-CB 3.28Å; S69-S73 WeakPolarHBondContact O-CB 3.41Å; S69-S73 PolarHBondContact O-N 3.27Å; S69-S73 PolarHBondContact O-OG 3.11Å
70D62.8Low50.2Low97 Ų9768.2 Ų68.252%0.51936%0.356SS..Hα-helixtrans-73.6-42-179.8-62.9-20.9000110.1N66 Y67 L68 L72 S73 V74N66-D70 WeakPolarHBondContact O-CB 3.45Å; N66-D70 PolarHBondContact O-N 3.45Å; Y67-D70 PolarHBondContact O-N 3.06Å; L68-D70 VanDerWaalsContact C-N 3.27Å; L68-D70 PolarHBondContact O-N 3.23Å; D70-L72 VanDerWaalsContact C-N 3.32Å; D70-L72 PolarHBondContact O-N 2.8Å; D70-S73 CarbonylContact O-C 3.55Å; D70-S73 WeakPolarHBondContact O-CB 3.22Å; D70-S73 PolarHBondContact O-N 2.79Å; D70-V74 WeakPolarHBondContact O-CB 3.22Å; D70-V74 WeakPolarHBondContact O-CG2 3.5Å; D70-V74 PolarHBondContact O-N 3.31Å
71C55.3Low49.4Very low18 Ų1870.3 Ų70.312%0.12237%0.371CS..Hα-helixtrans-63.1-37.9171.2-73.40000111.8Y67 L68 V74 L75Y67-C71 WeakPolarHBondContact CE1-SG 3.24Å; Y67-C71 WeakPolarHBondContact O-CB 3.37Å; Y67-C71 PolarHBondContact O-N 3.06Å; Y67-C71 PolarHBondContact O-SG 3.22Å; L68-C71 PolarHBondContact O-N 3.48Å; C71-V74 CarbonylContact O-C 3.51Å; C71-V74 PolarHBondContact O-N 3.17Å; C71-L75 WeakPolarHBondContact O-CB 3.43Å; C71-L75 WeakPolarHBondContact O-CG 3.29Å; C71-L75 PolarHBondContact O-N 3.32Å
72L53.3Low48.7Very low67 Ų6772.9 Ų72.935%0.35138%0.384SS..Hα-helixtrans-72.8-33.2174.8-73.4169.1000111.3L38 L68 S69 D70 V74 L75 A76L38-L72 HydrophobicContact CD1-CD2 3.99Å; L68-L72 WeakPolarHBondContact O-CB 3.39Å; L68-L72 WeakPolarHBondContact O-CD1 3.16Å; L68-L72 WeakPolarHBondContact O-CG 3.49Å; L68-L72 PolarHBondContact O-N 3.4Å; S69-L72 CarbonylContact O-C 3.41Å; S69-L72 PolarHBondContact O-N 3.21Å; D70-L72 VanDerWaalsContact C-N 3.32Å; D70-L72 PolarHBondContact O-N 2.8Å; L72-V74 VanDerWaalsContact C-N 3.32Å; L72-L75 HydrophobicContact CD2-CD1 4.14Å; L72-L75 PolarHBondContact O-N 2.78Å; L72-A76 WeakPolarHBondContact O-CB 3.37Å; L72-A76 PolarHBondContact O-N 2.75Å
73S46.8Very low47.7Very low69 Ų6970.9 Ų70.948%0.48338%0.378SS..Hα-helixtrans-66.3-36.7169-74.30000110.9S69 D70 A76 Y77S69-S73 VanDerWaalsContact O-CB 3.28Å; S69-S73 WeakPolarHBondContact O-CB 3.41Å; S69-S73 PolarHBondContact O-N 3.27Å; S69-S73 PolarHBondContact O-OG 3.11Å; D70-S73 CarbonylContact O-C 3.55Å; D70-S73 WeakPolarHBondContact O-CB 3.22Å; D70-S73 PolarHBondContact O-N 2.79Å; S73-A76 CarbonylContact O-C 3.49Å; S73-A76 PolarHBondContact O-N 3.39Å; S73-Y77 WeakPolarHBondContact O-CB 3.07Å; S73-Y77 PolarHBondContact O-N 3.44Å
74V33.2Very low46.6Very low85 Ų8564.4 Ų64.452%0.51536%0.364SS..Hα-helixtrans-71.5-35.2172.4170.10000110.7D70 C71 L72 Y77 C78D70-V74 WeakPolarHBondContact O-CB 3.22Å; D70-V74 WeakPolarHBondContact O-CG2 3.5Å; D70-V74 PolarHBondContact O-N 3.31Å; C71-V74 CarbonylContact O-C 3.51Å; C71-V74 PolarHBondContact O-N 3.17Å; L72-V74 VanDerWaalsContact C-N 3.32Å; V74-Y77 CarbonylContact O-C 3.44Å; V74-Y77 WeakPolarHBondContact O-CA 3.2Å; V74-Y77 WeakPolarHBondContact O-CB 3.36Å; V74-Y77 PolarHBondContact O-N 3.46Å; V74-C78 WeakPolarHBondContact O-CB 3.19Å; V74-C78 PolarHBondContact O-N 2.84Å; V74-C78 PolarHBondContact O-SG 3.48Å
75L36Very low45.5Very low76 Ų7669.6 Ų69.640%0.39839%0.388SS..Hα-helixtrans-72.1-34.4172.9-73164.4000111.4L38 C71 L72 C78 N79L38-L75 HydrophobicContact CD1-CD1 3.31Å; L38-L75 HydrophobicContact CG-CD1 4.34Å; C71-L75 WeakPolarHBondContact O-CB 3.43Å; C71-L75 WeakPolarHBondContact O-CG 3.29Å; C71-L75 PolarHBondContact O-N 3.32Å; L72-L75 HydrophobicContact CD2-CD1 4.14Å; L72-L75 PolarHBondContact O-N 2.78Å; L75-C78 PolarHBondContact O-N 2.79Å; L75-N79 PolarHBondContact O-N 3.17Å
76A37.4Very low44.3Very low48 Ų4872.4 Ų72.440%0.39740%0.403SS..Hα-helixtrans-65.9-31.116800000111.4L72 S73 I83L72-A76 WeakPolarHBondContact O-CB 3.37Å; L72-A76 PolarHBondContact O-N 2.75Å; S73-A76 CarbonylContact O-C 3.49Å; S73-A76 PolarHBondContact O-N 3.39Å; A76-I83 HydrophobicContact CB-CD1 3.77Å
77Y32.4Very low43.1Very low206 Ų20677 Ų7781%0.80842%0.42SS*.Hα-helixtrans-74.9-33.1171.5-160.3-97.5000112.1S73 V74S73-Y77 WeakPolarHBondContact O-CB 3.07Å; S73-Y77 PolarHBondContact O-N 3.44Å; V74-Y77 CarbonylContact O-C 3.44Å; V74-Y77 WeakPolarHBondContact O-CA 3.2Å; V74-Y77 WeakPolarHBondContact O-CB 3.36Å; V74-Y77 PolarHBondContact O-N 3.46Å
78C29Very low41.8Very low75 Ų7579.5 Ų79.551%0.50744%0.435SS..Hα-helixtrans-91.5-2.1-171.1-77.50000115.6V74 L75V74-C78 WeakPolarHBondContact O-CB 3.19Å; V74-C78 PolarHBondContact O-N 2.84Å; V74-C78 PolarHBondContact O-SG 3.48Å; L75-C78 PolarHBondContact O-N 2.79Å
79N33.7Very low40.6Very low85 Ų8585.7 Ų85.746%0.45547%0.467SS..  trans-179.799152.4-105-55000110.1L75 S81 I82L75-N79 PolarHBondContact O-N 3.17Å; N79-S81 PolarHBondContact O-N 3.23Å; N79-S81 VanDerWaalsContact O-N 3.09Å; N79-S81 PolarHBondContact OD1-OG 3.48Å; N79-S81 VanDerWaalsContact OD1-OG 3.14Å; N79-I82 HydrophobicContact CB-CB 4.48Å; N79-I82 HydrophobicContact CB-CD1 4.17Å; N79-I82 HydrophobicContact CB-CG1 4.09Å; N79-I82 PolarHBondContact O-N 2.89Å
80S37.5Very low39.8Very low91 Ų9188.4 Ų88.464%0.63649%0.491SS*.Hα-helixtrans-51.5-26.3164.4500000112.2I83 A84S80-I83 PolarHBondContact O-N 2.68Å; S80-A84 WeakPolarHBondContact O-CB 3.27Å; S80-A84 PolarHBondContact O-N 2.64Å
81S38.9Very low38.5Very low45 Ų4587.8 Ų87.832%0.31550%0.495SS..Hα-helixtrans-63.9-37.2175.669.60000113.4N79 Q85N79-S81 PolarHBondContact O-N 3.23Å; N79-S81 VanDerWaalsContact O-N 3.09Å; N79-S81 PolarHBondContact OD1-OG 3.48Å; N79-S81 VanDerWaalsContact OD1-OG 3.14Å; S81-Q85 WeakPolarHBondContact O-CB 3.4Å; S81-Q85 WeakPolarHBondContact O-CG 3.2Å; S81-Q85 PolarHBondContact O-N 2.95Å
82I40.4Very low37.4Very low95 Ų9593.9 Ų93.949%0.48752%0.521SS..Hα-helixtrans-74.9-38.9-180-65.1174.6000110N79 L86N79-I82 HydrophobicContact CB-CB 4.48Å; N79-I82 HydrophobicContact CB-CD1 4.17Å; N79-I82 HydrophobicContact CB-CG1 4.09Å; N79-I82 PolarHBondContact O-N 2.89Å; I82-L86 HydrophobicContact CG2-CD1 3.89Å; I82-L86 HydrophobicContact CG2-CG 4.42Å; I82-L86 VanDerWaalsContact O-CB 3.24Å; I82-L86 WeakPolarHBondContact O-CB 3.48Å; I82-L86 WeakPolarHBondContact O-CD1 3.42Å; I82-L86 WeakPolarHBondContact O-CG 3.43Å; I82-L86 PolarHBondContact O-N 3.38Å
83I38.7Very low36.7Very low72 Ų7296.4 Ų96.437%0.36954%0.542SS..Hα-helixtrans-67.8-42.5174.5-63.7-176.7000110.5A76 S80 L86 F87A76-I83 HydrophobicContact CB-CD1 3.77Å; S80-I83 PolarHBondContact O-N 2.68Å; I83-L86 PolarHBondContact O-N 3.29Å; I83-F87 HydrophobicContact CG2-CD2 3.8Å; I83-F87 HydrophobicContact CG2-CE2 4Å; I83-F87 WeakPolarHBondContact O-CD2 3.35Å; I83-F87 PolarHBondContact O-N 3.22Å
84A37.6Very low36.4Very low49 Ų49105.1 Ų105.141%0.40556%0.564SS.*Hα-helixtrans-65.4-42.4177.200000112.1S80 F87 Q88S80-A84 WeakPolarHBondContact O-CB 3.27Å; S80-A84 PolarHBondContact O-N 2.64Å; A84-F87 PolarHBondContact O-N 2.97Å; A84-Q88 WeakPolarHBondContact O-CB 3.25Å; A84-Q88 PolarHBondContact O-N 3.25Å
85Q38.1Very low36.9Very low110 Ų110111.1 Ų111.151%0.51460%0.601SS.*Hα-helixtrans-66.2-38.1175.3-76172.520.600111.5S81 Q88 L89S81-Q85 WeakPolarHBondContact O-CB 3.4Å; S81-Q85 WeakPolarHBondContact O-CG 3.2Å; S81-Q85 PolarHBondContact O-N 2.95Å; Q85-Q88 PolarHBondContact O-N 3.23Å; Q85-L89 WeakPolarHBondContact O-CB 3.29Å; Q85-L89 PolarHBondContact O-N 2.81Å
86L34.5Very low37Very low66 Ų66112.9 Ų112.935%0.34661%0.611SS.*Hα-helixtrans-66.5-37.4174-76168.7000112.1I82 I83 A90I82-L86 HydrophobicContact CG2-CD1 3.89Å; I82-L86 HydrophobicContact CG2-CG 4.42Å; I82-L86 VanDerWaalsContact O-CB 3.24Å; I82-L86 WeakPolarHBondContact O-CB 3.48Å; I82-L86 WeakPolarHBondContact O-CD1 3.42Å; I82-L86 WeakPolarHBondContact O-CG 3.43Å; I82-L86 PolarHBondContact O-N 3.38Å; I83-L86 PolarHBondContact O-N 3.29Å; L86-A90 VanDerWaalsContact O-CB 3.28Å; L86-A90 WeakPolarHBondContact O-CB 3.24Å; L86-A90 PolarHBondContact O-N 3.27Å; L86-A90 VanDerWaalsContact O-N 3.14Å
87F35.4Very low36.9Very low153 Ų153116.3 Ų116.367%0.67162%0.623SS**Hα-helixtrans-68.4-40173-94.9-79.6000112I83 A84 A90 S91I83-F87 HydrophobicContact CG2-CD2 3.8Å; I83-F87 HydrophobicContact CG2-CE2 4Å; I83-F87 WeakPolarHBondContact O-CD2 3.35Å; I83-F87 PolarHBondContact O-N 3.22Å; A84-F87 PolarHBondContact O-N 2.97Å; F87-A90 PolarHBondContact O-N 3.03Å; F87-S91 WeakPolarHBondContact O-CB 3.38Å; F87-S91 PolarHBondContact O-N 3.45Å; F87-S91 VanDerWaalsContact O-N 3.14Å; F87-S91 PolarHBondContact O-OG 3.27Å; F87-S91 VanDerWaalsContact O-OG 3.06Å
88Q36.4Very low37.2Very low126 Ų126111.3 Ų111.359%0.58961%0.612SS**Hα-helixtrans-64.8-48.9176.7-84.5-179-46.400112.1A84 Q85 A90 S91 E92A84-Q88 WeakPolarHBondContact O-CB 3.25Å; A84-Q88 PolarHBondContact O-N 3.25Å; Q85-Q88 PolarHBondContact O-N 3.23Å; Q88-A90 PolarHBondContact O-N 3.28Å; Q88-S91 WeakPolarHBondContact CA-OG 3.46Å; Q88-S91 PolarHBondContact O-N 3Å; Q88-S91 PolarHBondContact O-OG 2.87Å; Q88-E92 PolarHBondContact O-N 2.8Å
89L36.6Very low37.7Very low136 Ų136113.4 Ų113.471%0.71262%0.619SS**Hα-helixtrans-62.6-29.1176.8-93149000113.2Q85 S91Q85-L89 WeakPolarHBondContact O-CB 3.29Å; Q85-L89 PolarHBondContact O-N 2.81Å; L89-S91 VanDerWaalsContact C-N 3.34Å
90A41.5Very low37.9Very low87 Ų87115.2 Ų115.272%0.71963%0.629SS**Hα-helixtrans-80.6-15.617500000113.4L86 F87 Q88L86-A90 VanDerWaalsContact O-CB 3.28Å; L86-A90 WeakPolarHBondContact O-CB 3.24Å; L86-A90 PolarHBondContact O-N 3.27Å; L86-A90 VanDerWaalsContact O-N 3.14Å; F87-A90 PolarHBondContact O-N 3.03Å; Q88-A90 PolarHBondContact O-N 3.28Å
91S35.5Very low37.9Very low85 Ų85116.8 Ų116.859%0.59463%0.628SS**Hα-helixtrans-100.9-6.4-176.561.50000114.9F87 Q88 L89 P93F87-S91 WeakPolarHBondContact O-CB 3.38Å; F87-S91 PolarHBondContact O-N 3.45Å; F87-S91 VanDerWaalsContact O-N 3.14Å; F87-S91 PolarHBondContact O-OG 3.27Å; F87-S91 VanDerWaalsContact O-OG 3.06Å; Q88-S91 WeakPolarHBondContact CA-OG 3.46Å; Q88-S91 PolarHBondContact O-N 3Å; Q88-S91 PolarHBondContact O-OG 2.87Å; L89-S91 VanDerWaalsContact C-N 3.34Å; S91-P93 WeakPolarHBondContact O-CD 3.36Å
92E32.1Very low37.9Very low145 Ų145121.9 Ų121.968%0.67865%0.651SS**SBendtrans-83120.6175.5-74.5-173.9-178.200111.5Q88 R94Q88-E92 PolarHBondContact O-N 2.8Å; E92-R94 PolarHBondContact O-N 3.22Å
93P39.1Very low37.7Very low121 Ų121124 Ų12479%0.78666%0.663SS**  trans-70.3121.5176.827.6-30.4000109.6S91 T95S91-P93 WeakPolarHBondContact O-CD 3.36Å; P93-T95 PolarHBondContact O-N 2.98Å; P93-T95 VanDerWaalsContact O-N 3.17Å
94R41.1Very low37.6Very low251 Ų251128.3 Ų128.395%0.94769%0.688SS**  trans-65.4109.8177.2-62.8-179.6-178.8-155.8-2.1110E92E92-R94 PolarHBondContact O-N 3.22Å
95T43.2Very low37.6Very low211 Ų211135.5 Ų135.5100%1.29471%0.714SS**  trans-74.2015348.70000110.4P93P93-T95 PolarHBondContact O-N 2.98Å; P93-T95 VanDerWaalsContact O-N 3.17Å

Retrieved 95 of 95 residues in 21.4 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).