G4VEA7_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VEA7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 89 aa.

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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
1M51.7Low58.4Low43 Ų4357.6 Ų57.621%0.21229%0.291CS..  0124.10-177.6176.368.700108.4L3 Y26 K28 R58 S59 F60M1-L3 HydrophobicContact CE-CD1 4.43Å; M1-L3 HydrophobicContact CE-CD2 3.68Å; M1-L3 HydrophobicContact CE-CG 4.15Å; M1-L3 HydrophobicContact SD-CD2 4.46Å; M1-Y26 CarbonylContact C-O 3.22Å; M1-Y26 VanDerWaalsContact C-O 3.22Å; M1-Y26 WeakPolarHBondContact CA-O 3.39Å; M1-Y26 WeakPolarHBondContact CG-O 3.18Å; M1-K28 HydrophobicContact CE-CB 4.06Å; M1-K28 HydrophobicContact CE-CD 3.92Å; M1-K28 HydrophobicContact CG-CB 3.83Å; M1-K28 HydrophobicContact SD-CB 3.22Å; M1-K28 WeakPolarHBondContact SD-CB 3.1Å; M1-K28 HydrophobicContact SD-CD 3.58Å; M1-K28 VanDerWaalsContact SD-CD 3.58Å; M1-K28 HydrophobicContact SD-CG 4.03Å; M1-R58 WeakPolarHBondContact CB-O 2.91Å; M1-R58 PolarHBondContact N-O 2.76Å; M1-S59 WeakPolarHBondContact CE-OG 3.3Å; M1-F60 PolarHBondContact O-N 3.23Å
2I54.7Low59Low4 Ų461.7 Ų61.72%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-85.3121.1175-58178.1000108.5I4 Y26 I27 K28 I62 A79 F83I2-I4 HydrophobicContact CG2-CG1 4.37Å; I2-Y26 PolarHBondContact N-O 2.83Å; I2-I27 HydrophobicContact CB-CG1 4.48Å; I2-I27 WeakPolarHBondContact O-CA 3.3Å; I2-K28 PolarHBondContact O-N 3.21Å; I2-K28 VanDerWaalsContact O-N 3.17Å; I2-I62 HydrophobicContact CG2-CD1 3.26Å; I2-I62 HydrophobicContact CG2-CG1 3.73Å; I2-A79 HydrophobicContact CD1-CB 4.2Å; I2-F83 HydrophobicContact CD1-CE2 3.94Å; I2-F83 HydrophobicContact CD1-CZ 3.65Å; I2-F83 HydrophobicContact CG1-CZ 4.16Å
3L53.2Low59.4Low5 Ų557.4 Ų57.43%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-101.1124.6175.1-65.5173.9000109.9M1 K28 F60 I62M1-L3 HydrophobicContact CE-CD1 4.43Å; M1-L3 HydrophobicContact CE-CD2 3.68Å; M1-L3 HydrophobicContact CE-CG 4.15Å; M1-L3 HydrophobicContact SD-CD2 4.46Å; L3-K28 WeakPolarHBondContact CA-O 3.48Å; L3-K28 HydrophobicContact CD2-CB 3.83Å; L3-K28 HydrophobicContact CD2-CG 4.4Å; L3-K28 WeakPolarHBondContact CD2-O 3.41Å; L3-F60 PolarHBondContact N-O 3.38Å; L3-I62 WeakPolarHBondContact O-CG1 3.3Å; L3-I62 PolarHBondContact O-N 2.99Å
4I58.9Low59.7Low4 Ų460.5 Ų60.52%0.02129%0.292CS..  trans-115.6111.4173.2-55.1171.9000106.9I2 Q9 K10 L17 I27 Y29 I62 L66I2-I4 HydrophobicContact CG2-CG1 4.37Å; I4-Q9 HydrophobicContact CG2-CB 4.44Å; I4-K10 HydrophobicContact CG2-CB 4.35Å; I4-L17 HydrophobicContact CD1-CD1 4.47Å; I4-I27 HydrophobicContact CD1-CG2 4.28Å; I4-Y29 VanDerWaalsContact O-CD2 3.23Å; I4-Y29 WeakPolarHBondContact O-CD2 3.37Å; I4-I62 HydrophobicContact CG1-CD1 4.18Å; I4-L66 HydrophobicContact CG1-CD1 4.36Å; I4-L66 HydrophobicContact CG2-CD1 4.13Å
5R53.2Low60Low77 Ų7762.1 Ų62.129%0.29131%0.312SS..  trans-95.8-20.9-179.7-35.5174-79.6-167.4-9.8112.7P7 C61 D63R5-P7 VanDerWaalsContact O-CD 3.28Å; R5-P7 WeakPolarHBondContact O-CD 3.38Å; R5-C61 PolarHBondContact NE-SG 3.4Å; R5-C61 VanDerWaalsContact NE-SG 3.38Å; R5-D63 WeakPolarHBondContact CB-OD2 3.46Å; R5-D63 WeakPolarHBondContact CD-OD2 3.26Å; R5-D63 WeakPolarHBondContact CG-OD2 3.37Å; R5-D63 IonicContact CZ-OD2 3.47Å; R5-D63 PolarHBondContact N-OD1 2.85Å; R5-D63 IonicContact NE-OD2 2.65Å; R5-D63 PolarHBondContact NE-OD2 3.19Å; R5-D63 IonicContact NH2-OD2 3.45Å; R5-D63 PolarHBondContact NH2-OD2 2.77Å
6N61.5Low60.2Low49 Ų4960.4 Ų60.426%0.26231%0.307SS..  trans-81.6114178.1-174.2-18.7000112.3K8 Q9 K10N6-K8 VanDerWaalsContact C-N 3.3Å; N6-K8 PolarHBondContact O-N 3.37Å; N6-K8 WeakPolarHBondContact OD1-CB 3.39Å; N6-K8 PolarHBondContact OD1-N 3.31Å; N6-Q9 HydrophobicContact CB-CB 3.98Å; N6-Q9 HydrophobicContact CB-CG 4.03Å; N6-Q9 PolarHBondContact O-N 3.33Å; N6-Q9 VanDerWaalsContact O-N 3.16Å; N6-K10 PolarHBondContact O-N 2.86Å
7P61.4Low60.2Low80 Ų8056.8 Ų56.852%0.51929%0.289SS..Hα-helixtrans-66.2-26.9-176.624.8-32.9000113.8R5R5-P7 VanDerWaalsContact O-CD 3.28Å; R5-P7 WeakPolarHBondContact O-CD 3.38Å
8K64Low60.2Low181 Ų18161.7 Ų61.779%0.78731%0.308SS*.Hα-helixtrans-69.8-38.8175.2-67.2-178.2178.7176.90111.3N6N6-K8 VanDerWaalsContact C-N 3.3Å; N6-K8 PolarHBondContact O-N 3.37Å; N6-K8 WeakPolarHBondContact OD1-CB 3.39Å; N6-K8 PolarHBondContact OD1-N 3.31Å
9Q61.6Low60.1Low21 Ų2162.2 Ų62.210%0.09833%0.33CS..Hα-helixtrans-73.8-33.8178.5-72.3-178.5-11.400111.8I4 N6 S11 K12 Y13 L66 D67I4-Q9 HydrophobicContact CG2-CB 4.44Å; N6-Q9 HydrophobicContact CB-CB 3.98Å; N6-Q9 HydrophobicContact CB-CG 4.03Å; N6-Q9 PolarHBondContact O-N 3.33Å; N6-Q9 VanDerWaalsContact O-N 3.16Å; Q9-S11 PolarHBondContact O-N 3.04Å; Q9-K12 PolarHBondContact O-N 3.49Å; Q9-K12 VanDerWaalsContact O-N 3.16Å; Q9-Y13 HydrophobicContact CB-CD2 3.73Å; Q9-Y13 HydrophobicContact CB-CE2 3.84Å; Q9-Y13 HydrophobicContact CG-CD2 4.31Å; Q9-Y13 HydrophobicContact CG-CE2 3.89Å; Q9-Y13 WeakPolarHBondContact O-CD2 3.44Å; Q9-Y13 PolarHBondContact O-N 3.22Å; Q9-L66 HydrophobicContact CB-CD1 4.43Å; Q9-L66 PolarHBondContact NE2-O 2.8Å; Q9-D67 PolarHBondContact NE2-OD1 3.43Å
10K59Low59.9Low83 Ų8365.5 Ų65.536%0.36134%0.339SS..Hα-helixtrans-49.8-52.5174.5-177.6-178178.6177.40112I4 N6 K12 Y14 Y29I4-K10 HydrophobicContact CG2-CB 4.35Å; N6-K10 PolarHBondContact O-N 2.86Å; K10-K12 VanDerWaalsContact C-N 3.31Å; K10-K12 PolarHBondContact O-N 2.8Å; K10-Y14 WeakPolarHBondContact O-CA 3.36Å; K10-Y14 WeakPolarHBondContact O-CB 3.21Å; K10-Y14 PolarHBondContact O-N 3.33Å; K10-Y29 HydrophobicContact CD-CD2 4.04Å; K10-Y29 HydrophobicContact CD-CE2 4.15Å
11S63.7Low59.6Low87 Ų8763 Ų6361%0.60833%0.327SS*.Hα-helixtrans-61.2-41.3-177.6-171.50000112.5Q9 S15Q9-S11 PolarHBondContact O-N 3.04Å; S11-S15 PolarHBondContact O-OG 3.18Å
12K65.5Low59.4Low106 Ų10667.3 Ų67.346%0.46136%0.358SS..Hα-helixtrans-66.7-53.8179.9-172.3-175.5178-161.80111.6Q9 K10 S16Q9-K12 PolarHBondContact O-N 3.49Å; Q9-K12 VanDerWaalsContact O-N 3.16Å; K10-K12 VanDerWaalsContact C-N 3.31Å; K10-K12 PolarHBondContact O-N 2.8Å; K12-S16 PolarHBondContact O-OG 3.29Å
13Y63.5Low59Low6 Ų671.8 Ų71.82%0.02438%0.377CS..Hα-helixtrans-86.4-29.9-171.6-63.3-67000113.4Q9 S15 S16 L17 L66 T69 V72 L75Q9-Y13 HydrophobicContact CB-CD2 3.73Å; Q9-Y13 HydrophobicContact CB-CE2 3.84Å; Q9-Y13 HydrophobicContact CG-CD2 4.31Å; Q9-Y13 HydrophobicContact CG-CE2 3.89Å; Q9-Y13 WeakPolarHBondContact O-CD2 3.44Å; Q9-Y13 PolarHBondContact O-N 3.22Å; Y13-S15 PolarHBondContact O-N 2.65Å; Y13-S16 PolarHBondContact O-N 3.34Å; Y13-L17 VanDerWaalsContact O-CB 3.3Å; Y13-L17 WeakPolarHBondContact O-CB 3.38Å; Y13-L17 VanDerWaalsContact O-CG 3.3Å; Y13-L17 WeakPolarHBondContact O-CG 3.41Å; Y13-L17 PolarHBondContact O-N 3.48Å; Y13-L66 HydrophobicContact CD1-CD2 4.16Å; Y13-L66 HydrophobicContact CD2-CD1 3.95Å; Y13-L66 HydrophobicContact CD2-CD2 3.79Å; Y13-L66 HydrophobicContact CD2-CG 4.37Å; Y13-L66 HydrophobicContact CE1-CD2 4.06Å; Y13-L66 HydrophobicContact CE2-CB 4.17Å; Y13-L66 HydrophobicContact CE2-CD1 4.22Å; Y13-L66 HydrophobicContact CE2-CD2 3.68Å; Y13-L66 HydrophobicContact CE2-CG 4.25Å; Y13-L66 HydrophobicContact CG-CD2 4.05Å; Y13-T69 PolarHBondContact OH-O 3.14Å; Y13-V72 HydrophobicContact CD1-CG2 3.81Å; Y13-V72 HydrophobicContact CE1-CG2 3.8Å; Y13-L75 HydrophobicContact CD1-CD2 3.43Å; Y13-L75 VanDerWaalsContact CD1-CD2 3.43Å; Y13-L75 HydrophobicContact CE1-CD2 4.27Å; Y13-L75 HydrophobicContact CG-CD2 3.65Å
14Y63.5Low58.5Low101 Ų10174.3 Ų74.340%0.39640%0.399SS..Hα-helixtrans-62.8-43.8176.9-175.7-95.6000111.5K10 S16 L17 K18K10-Y14 WeakPolarHBondContact O-CA 3.36Å; K10-Y14 WeakPolarHBondContact O-CB 3.21Å; K10-Y14 PolarHBondContact O-N 3.33Å; Y14-S16 VanDerWaalsContact C-N 3.27Å; Y14-S16 PolarHBondContact O-N 3.09Å; Y14-L17 PolarHBondContact O-N 3.1Å; Y14-K18 HydrophobicContact CE1-CD 4.37Å; Y14-K18 VanDerWaalsContact O-CB 3.26Å; Y14-K18 WeakPolarHBondContact O-CB 3.48Å; Y14-K18 PolarHBondContact O-N 3.33Å
15S64.5Low57.6Low85 Ų8578.3 Ų78.359%0.59443%0.433SS*.Hα-helixtrans-61.1-39.2177-57.90000111.6S11 Y13S11-S15 PolarHBondContact O-OG 3.18Å; Y13-S15 PolarHBondContact O-N 2.65Å
16S63.8Low57.6Low34 Ų3478.1 Ų78.124%0.23843%0.432CS..Hα-helixtrans-71.2-51.1176.5-57.70000112.3K12 Y13 Y14 K18 G19 Y20 V72K12-S16 PolarHBondContact O-OG 3.29Å; Y13-S16 PolarHBondContact O-N 3.34Å; Y14-S16 VanDerWaalsContact C-N 3.27Å; Y14-S16 PolarHBondContact O-N 3.09Å; S16-K18 VanDerWaalsContact C-N 3.31Å; S16-K18 PolarHBondContact O-N 2.88Å; S16-G19 PolarHBondContact O-N 3.36Å; S16-Y20 WeakPolarHBondContact O-CD2 3.35Å; S16-V72 WeakPolarHBondContact OG-CG1 3.37Å
17L60.2Low57.1Low0 Ų077.6 Ų77.60%043%0.429CS..Hα-helixtrans-66.9-29-175.7-73.7175.2000113.8I4 Y13 Y14 G19 Y20 V21 I27 L75 I76 A79I4-L17 HydrophobicContact CD1-CD1 4.47Å; Y13-L17 VanDerWaalsContact O-CB 3.3Å; Y13-L17 WeakPolarHBondContact O-CB 3.38Å; Y13-L17 VanDerWaalsContact O-CG 3.3Å; Y13-L17 WeakPolarHBondContact O-CG 3.41Å; Y13-L17 PolarHBondContact O-N 3.48Å; Y14-L17 PolarHBondContact O-N 3.1Å; L17-G19 PolarHBondContact O-N 2.65Å; L17-G19 VanDerWaalsContact O-N 3.09Å; L17-Y20 PolarHBondContact O-N 3.08Å; L17-Y20 VanDerWaalsContact O-N 3.09Å; L17-V21 HydrophobicContact CD2-CG2 4.45Å; L17-V21 WeakPolarHBondContact O-CG2 3.46Å; L17-V21 PolarHBondContact O-N 2.94Å; L17-I27 HydrophobicContact CB-CD1 4.07Å; L17-I27 HydrophobicContact CD1-CD1 4.12Å; L17-L75 HydrophobicContact CD1-CD2 3.58Å; L17-L75 HydrophobicContact CD1-CG 4.17Å; L17-L75 HydrophobicContact CD2-CD2 4.1Å; L17-L75 HydrophobicContact CD2-CG 4.06Å; L17-L75 HydrophobicContact CG-CD2 3.89Å; L17-L75 HydrophobicContact CG-CG 4.39Å; L17-I76 HydrophobicContact CD2-CG1 4.31Å; L17-A79 HydrophobicContact CD2-CB 4.39Å
18K60.1Low56.5Low144 Ų14479 Ų7963%0.62643%0.427SS*.THydrogen-bonded Turntrans-56.6-26.8178.1-173.4178.3178.1-174.70113Y14 S16Y14-K18 HydrophobicContact CE1-CD 4.37Å; Y14-K18 VanDerWaalsContact O-CB 3.26Å; Y14-K18 WeakPolarHBondContact O-CB 3.48Å; Y14-K18 PolarHBondContact O-N 3.33Å; S16-K18 VanDerWaalsContact C-N 3.31Å; S16-K18 PolarHBondContact O-N 2.88Å
19G57.3Low55.7Low71 Ų7174.8 Ų74.873%0.73241%0.407SS*.THydrogen-bonded Turntrans-89-19.1178.700000115.5S16 L17S16-G19 PolarHBondContact O-N 3.36Å; L17-G19 PolarHBondContact O-N 2.65Å; L17-G19 VanDerWaalsContact O-N 3.09Å
20Y57.3Low55Low129 Ų12975.6 Ų75.651%0.50641%0.412SS..THydrogen-bonded Turntrans-105.1-17.4-173.4-71.2-93.1000113.5S16 L17 P22 I76S16-Y20 WeakPolarHBondContact O-CD2 3.35Å; L17-Y20 PolarHBondContact O-N 3.08Å; L17-Y20 VanDerWaalsContact O-N 3.09Å; Y20-P22 WeakPolarHBondContact O-CD 3.47Å; Y20-I76 HydrophobicContact CD1-CB 4.47Å; Y20-I76 HydrophobicContact CD1-CD1 4Å; Y20-I76 HydrophobicContact CD1-CG1 4.22Å; Y20-I76 HydrophobicContact CD1-CG2 3.43Å; Y20-I76 VanDerWaalsContact CD1-CG2 3.43Å; Y20-I76 HydrophobicContact CD2-CD1 3.47Å; Y20-I76 VanDerWaalsContact CD2-CD1 3.47Å; Y20-I76 HydrophobicContact CD2-CG1 3.84Å; Y20-I76 HydrophobicContact CE1-CD1 3.88Å; Y20-I76 HydrophobicContact CE1-CG2 3.99Å; Y20-I76 HydrophobicContact CE2-CD1 3.35Å; Y20-I76 HydrophobicContact CE2-CG1 4.25Å; Y20-I76 HydrophobicContact CG-CB 4.46Å; Y20-I76 HydrophobicContact CG-CD1 3.79Å; Y20-I76 HydrophobicContact CG-CG1 3.83Å; Y20-I76 HydrophobicContact CG-CG2 3.75Å
21V54Low54.2Low13 Ų1375.6 Ų75.68%0.07942%0.419CS..  trans-105108.9-177.3-170.90000108.7L17 K23 F83L17-V21 HydrophobicContact CD2-CG2 4.45Å; L17-V21 WeakPolarHBondContact O-CG2 3.46Å; L17-V21 PolarHBondContact O-N 2.94Å; V21-K23 WeakPolarHBondContact CG1-O 2.92Å; V21-K23 PolarHBondContact O-N 3.48Å; V21-F83 HydrophobicContact CB-CE2 4.19Å; V21-F83 HydrophobicContact CG1-CD2 4.08Å; V21-F83 HydrophobicContact CG1-CE1 4.28Å; V21-F83 HydrophobicContact CG1-CE2 3.47Å; V21-F83 VanDerWaalsContact CG1-CE2 3.47Å; V21-F83 HydrophobicContact CG1-CZ 3.6Å; V21-F83 HydrophobicContact CG2-CD2 4.39Å; V21-F83 HydrophobicContact CG2-CE2 3.56Å; V21-F83 HydrophobicContact CG2-CZ 4.2Å
22P45.6Very low53.1Low133 Ų13378 Ų7886%0.86442%0.424SS*.SBendtrans-62.3-0.9175.5-19.731.8000114.2Y20Y20-P22 WeakPolarHBondContact O-CD 3.47Å
23K48.3Very low52.1Low98 Ų9876.9 Ų76.943%0.42642%0.42SS..  trans-142.581.3178.5-65.3176.5-173.7165.60109.6V21 A25 Y26 E87V21-K23 WeakPolarHBondContact CG1-O 2.92Å; V21-K23 PolarHBondContact O-N 3.48Å; K23-A25 PolarHBondContact O-N 3.04Å; K23-Y26 HydrophobicContact CB-CD2 3.9Å; K23-Y26 HydrophobicContact CB-CE2 3.74Å; K23-Y26 HydrophobicContact CD-CE2 3.89Å; K23-Y26 HydrophobicContact CG-CE2 4.46Å; K23-Y26 WeakPolarHBondContact O-CD2 3.35Å; K23-Y26 PolarHBondContact O-N 3.38Å; K23-E87 WeakPolarHBondContact CD-OE1 3.47Å; K23-E87 WeakPolarHBondContact CE-OE1 3.05Å; K23-E87 IonicContact NZ-OE1 2.65Å; K23-E87 PolarHBondContact NZ-OE1 3.22Å; K23-E87 IonicContact NZ-OE2 3.78Å
24A41.7Very low51.1Low59 Ų5984.5 Ų84.549%0.48846%0.461SS..G310 helixtrans-54.3-4168.300000114.2Y26A24-Y26 PolarHBondContact O-N 3.28Å
25A40.9Very low50.1Low88 Ų8888.1 Ų88.173%0.72748%0.479SS*.G310 helixtrans-61.3-17.4174.600000114.6K23K23-A25 PolarHBondContact O-N 3.04Å
26Y52.5Low49.1Very low73 Ų7385.6 Ų85.629%0.28646%0.461SS..G310 helixtrans-98.94.8-175.7-62.9-72.9000114.7M1 I2 K23 A24 F83M1-Y26 CarbonylContact C-O 3.22Å; M1-Y26 VanDerWaalsContact C-O 3.22Å; M1-Y26 WeakPolarHBondContact CA-O 3.39Å; M1-Y26 WeakPolarHBondContact CG-O 3.18Å; I2-Y26 PolarHBondContact N-O 2.83Å; K23-Y26 HydrophobicContact CB-CD2 3.9Å; K23-Y26 HydrophobicContact CB-CE2 3.74Å; K23-Y26 HydrophobicContact CD-CE2 3.89Å; K23-Y26 HydrophobicContact CG-CE2 4.46Å; K23-Y26 WeakPolarHBondContact O-CD2 3.35Å; K23-Y26 PolarHBondContact O-N 3.38Å; A24-Y26 PolarHBondContact O-N 3.28Å; Y26-F83 HydrophobicContact CD2-CD1 4.13Å; Y26-F83 AromaticContact CD2-CE1 3.71Å; Y26-F83 HydrophobicContact CD2-CE1 3.71Å; Y26-F83 HydrophobicContact CG-CD1 4.45Å; Y26-F83 AromaticContact CG-CE1 3.78Å; Y26-F83 HydrophobicContact CG-CE1 3.78Å
27I50.9Low48.1Very low37 Ų3789.3 Ų89.319%0.1948%0.478CS..EExtended strand (participates in β ladder)trans-102.6108.4177.4-54.3175.4000108.8I2 I4 L17I2-I27 HydrophobicContact CB-CG1 4.48Å; I2-I27 WeakPolarHBondContact O-CA 3.3Å; I4-I27 HydrophobicContact CD1-CG2 4.28Å; L17-I27 HydrophobicContact CB-CD1 4.07Å; L17-I27 HydrophobicContact CD1-CD1 4.12Å
28K49.4Very low47.3Very low111 Ų11195.3 Ų95.348%0.48351%0.51SS..EExtended strand (participates in β ladder)trans-110.8141.3173.9-170.3180-179.2-170.70109.4M1 I2 L3M1-K28 HydrophobicContact CE-CB 4.06Å; M1-K28 HydrophobicContact CE-CD 3.92Å; M1-K28 HydrophobicContact CG-CB 3.83Å; M1-K28 HydrophobicContact SD-CB 3.22Å; M1-K28 WeakPolarHBondContact SD-CB 3.1Å; M1-K28 HydrophobicContact SD-CD 3.58Å; M1-K28 VanDerWaalsContact SD-CD 3.58Å; M1-K28 HydrophobicContact SD-CG 4.03Å; I2-K28 PolarHBondContact O-N 3.21Å; I2-K28 VanDerWaalsContact O-N 3.17Å; L3-K28 WeakPolarHBondContact CA-O 3.48Å; L3-K28 HydrophobicContact CD2-CB 3.83Å; L3-K28 HydrophobicContact CD2-CG 4.4Å; L3-K28 WeakPolarHBondContact CD2-O 3.41Å
29Y46.8Very low46.2Very low91 Ų9196.1 Ų96.136%0.35751%0.514SS..  trans-101122.6175.1178.1-103.6000107.4I4 K10 V31I4-Y29 VanDerWaalsContact O-CD2 3.23Å; I4-Y29 WeakPolarHBondContact O-CD2 3.37Å; K10-Y29 HydrophobicContact CD-CD2 4.04Å; K10-Y29 HydrophobicContact CD-CE2 4.15Å; Y29-V31 HydrophobicContact CD1-CG2 4.22Å; Y29-V31 HydrophobicContact CE1-CB 4.22Å; Y29-V31 HydrophobicContact CE1-CG1 3.83Å; Y29-V31 HydrophobicContact CE1-CG2 3.5Å; Y29-V31 VanDerWaalsContact CE1-CG2 3.5Å; Y29-V31 HydrophobicContact CE2-CG1 4.09Å; Y29-V31 WeakPolarHBondContact OH-CG1 3.47Å
30D47.4Very low45.4Very low39 Ų3995.7 Ų95.721%0.20950%0.497CS..  trans-137.5100.4173.3-158.8-25.2000109.7N32 F33D30-N32 WeakPolarHBondContact OD1-CA 3.46Å; D30-N32 PolarHBondContact OD1-N 3.26Å; D30-F33 HydrophobicContact CB-CB 3.99Å; D30-F33 HydrophobicContact CB-CD2 4.39Å; D30-F33 PolarHBondContact OD1-N 2.85Å; D30-F33 WeakPolarHBondContact OD2-CD2 3.49Å
31V42.2Very low44.5Very low82 Ų8296.5 Ų96.550%0.49750%0.503SS..THydrogen-bonded Turntrans-76.5-9.4175.4-99.20000112.8Y29Y29-V31 HydrophobicContact CD1-CG2 4.22Å; Y29-V31 HydrophobicContact CE1-CB 4.22Å; Y29-V31 HydrophobicContact CE1-CG1 3.83Å; Y29-V31 HydrophobicContact CE1-CG2 3.5Å; Y29-V31 VanDerWaalsContact CE1-CG2 3.5Å; Y29-V31 HydrophobicContact CE2-CG1 4.09Å; Y29-V31 WeakPolarHBondContact OH-CG1 3.47Å
32N40.3Very low43.7Very low137 Ų137102.3 Ų102.373%0.73353%0.533SS*.THydrogen-bonded Turntrans-115.313.3-176.1-63.7-25.6000111.9D30 D34D30-N32 WeakPolarHBondContact OD1-CA 3.46Å; D30-N32 PolarHBondContact OD1-N 3.26Å; N32-D34 PolarHBondContact O-N 2.94Å
33F43.5Very low43.2Very low83 Ų8399 Ų9936%0.36451%0.511SS..  trans-78.172.3176.5-145.7-91.3000110.3D30 K35D30-F33 HydrophobicContact CB-CB 3.99Å; D30-F33 HydrophobicContact CB-CD2 4.39Å; D30-F33 PolarHBondContact OD1-N 2.85Å; D30-F33 WeakPolarHBondContact OD2-CD2 3.49Å; F33-K35 HydrophobicContact CE1-CB 4.48Å; F33-K35 WeakPolarHBondContact CE1-O 3.38Å; F33-K35 PolarHBondContact O-N 2.85Å; F33-K35 VanDerWaalsContact O-N 3.07Å
34D43.7Very low42.8Very low167 Ų16798.3 Ų98.389%0.89351%0.508SS*.THydrogen-bonded Turntrans-66.71.9175.4-105.9-10.5000113.3N32N32-D34 PolarHBondContact O-N 2.94Å
35K41.7Very low42.8Very low177 Ų177103.1 Ų103.177%0.7753%0.526SS*.THydrogen-bonded Turntrans-123.137.6-178-70.1-170.7175.2-175.10113.4F33 D37F33-K35 HydrophobicContact CE1-CB 4.48Å; F33-K35 WeakPolarHBondContact CE1-O 3.38Å; F33-K35 PolarHBondContact O-N 2.85Å; F33-K35 VanDerWaalsContact O-N 3.07Å; K35-D37 PolarHBondContact O-N 3.14Å
36C43.9Very low42.7Very low31 Ų31107.4 Ų107.421%0.20953%0.531CS..  trans-70.192.1159.7-162.10000106.5D38 T40 C61C36-D38 PolarHBondContact O-N 2.89Å; C36-T40 PolarHBondContact SG-OG1 3.33Å; C36-T40 VanDerWaalsContact SG-OG1 3.4Å; C36-C61 HydrophobicContact CB-CB 4.48Å; C36-C61 WeakPolarHBondContact SG-CB 3.45Å; C36-C61 VanDerWaalsContact SG-SG 3.65Å
37D42.6Very low42.1Very low112 Ų112110.1 Ų110.160%0.59955%0.546SS*.  trans-47.7123.3-176.2-137.8-8.3000108.7K35 K39 T40K35-D37 PolarHBondContact O-N 3.14Å; D37-K39 PolarHBondContact O-N 3.12Å; D37-T40 PolarHBondContact O-N 2.86Å; D37-T40 PolarHBondContact O-OG1 2.95Å
38D43.5Very low41.6Very low127 Ų127115.6 Ų115.668%0.67957%0.573SS**THydrogen-bonded Turntrans-54.2-15.4-174.1-82.3-41.8000112.9C36 T40 K41C36-D38 PolarHBondContact O-N 2.89Å; D38-T40 PolarHBondContact O-N 2.72Å; D38-K41 PolarHBondContact O-N 3.33Å
39K37Very low41.2Very low161 Ų161117.1 Ų117.170%0.759%0.586SS**Hα-helixtrans-55.6-28.1169.9-69.5-175.3175.8-179.20115D37 K41 T43D37-K39 PolarHBondContact O-N 3.12Å; K39-K41 VanDerWaalsContact C-N 3.29Å; K39-K41 PolarHBondContact O-N 3.1Å; K39-T43 PolarHBondContact O-OG1 3.37Å
40T40.6Very low40.8Very low61 Ų61118.4 Ų118.437%0.37460%0.599SS.*Hα-helixtrans-77.4-11.5-177.839.80000114.2C36 D37 D38C36-T40 PolarHBondContact SG-OG1 3.33Å; C36-T40 VanDerWaalsContact SG-OG1 3.4Å; D37-T40 PolarHBondContact O-N 2.86Å; D37-T40 PolarHBondContact O-OG1 2.95Å; D38-T40 PolarHBondContact O-N 2.72Å
41K37.9Very low40.1Very low146 Ų146122.3 Ų122.364%0.63562%0.62SS**Hα-helixtrans-82-33.6179.5-93.1-179.3173.4172.70113.7D38 K39D38-K41 PolarHBondContact O-N 3.33Å; K39-K41 VanDerWaalsContact C-N 3.29Å; K39-K41 PolarHBondContact O-N 3.1Å
42D37.6Very low39.8Very low135 Ų135123 Ų12372%0.72262%0.624SS**Hα-helixtrans-90.9-11.2-175.2-71.5-17.3000113.3F44D42-F44 VanDerWaalsContact C-N 3.32Å; D42-F44 PolarHBondContact O-N 3.25Å
43T35.5Very low39.6Very low64 Ų64123.9 Ų123.939%0.39362%0.624SS.*Hα-helixtrans-77.4-13.8-175.6-14.60000114.2K39 E47K39-T43 PolarHBondContact O-OG1 3.37Å; T43-E47 HydrophobicContact CG2-CB 4.41Å
44F39Very low39.3Very low83 Ų83127.7 Ų127.736%0.36464%0.643SS.*Hα-helixtrans-82.4-22.8-177.1-82.9-85000113.8D42 Y65D42-F44 VanDerWaalsContact C-N 3.32Å; D42-F44 PolarHBondContact O-N 3.25Å; F44-Y65 HydrophobicContact CD1-CD2 4.4Å; F44-Y65 HydrophobicContact CE1-CD2 4.46Å
45D41.1Very low39Very low161 Ų161120.6 Ų120.686%0.86161%0.607SS**Hα-helixtrans-91.8-22.6-175.3-87.1-13.4000114.1
46E39.8Very low38.9Very low178 Ų178117.2 Ų117.283%0.83260%0.601SS**Hα-helixtrans-119.7-19.5-174.4-73.3-171.7155.100115.9
47E39.5Very low38.8Very low129 Ų129122.9 Ų122.960%0.60363%0.63SS**  trans-129.221.4-163.6-79.4-166.3150.200116.8T43 N49T43-E47 HydrophobicContact CG2-CB 4.41Å; E47-N49 PolarHBondContact O-N 2.79Å
48M40.7Very low39Very low153 Ų153123.6 Ų123.675%0.75462%0.624SS**THydrogen-bonded Turntrans-68.211.5170.3-144.4-179.8170.100113.7
49N41.1Very low39.3Very low143 Ų143120 Ų12077%0.76561%0.609SS**THydrogen-bonded Turntrans-114.9-6.7-166.9-127.1-9.8000115.1E47E47-N49 PolarHBondContact O-N 2.79Å
50N38.2Very low40.1Very low117 Ų117115.1 Ų115.163%0.62659%0.588SS**SBendtrans-144.446.7-171.5-79.1-39.4000116Q53N50-Q53 PolarHBondContact O-NE2 3.46Å
51D33Very low40.8Very low122 Ų122113.1 Ų113.165%0.65258%0.576SS**  trans77127.7179.9-42.9-49.9000110.8Q53D51-Q53 HydrophobicContact CB-CB 4.36Å; D51-Q53 HydrophobicContact CB-CG 4.03Å; D51-Q53 PolarHBondContact O-N 3.49Å
52V35.8Very low41.8Very low96 Ų96106.2 Ų106.258%0.58255%0.546SS*.  47.31072.5-177.10000113.1E54 V85V52-E54 PolarHBondContact O-N 3.26Å; V52-E54 VanDerWaalsContact O-N 3.11Å; V52-V85 HydrophobicContact CB-CG1 4.12Å; V52-V85 HydrophobicContact CG1-CB 4.39Å; V52-V85 HydrophobicContact CG1-CG1 3.23Å; V52-V85 HydrophobicContact CG1-CG2 4.4Å; V52-V85 HydrophobicContact CG2-CB 4.4Å; V52-V85 HydrophobicContact CG2-CG1 3.75Å; V52-V85 HydrophobicContact CG2-CG2 3.78Å
53Q36.7Very low42.5Very low156 Ų156100.7 Ų100.773%0.72952%0.517SS*.THydrogen-bonded Turntrans-75.9-8.1-164.6-115.4168.252.200114.5N50 D51N50-Q53 PolarHBondContact O-NE2 3.46Å; D51-Q53 HydrophobicContact CB-CB 4.36Å; D51-Q53 HydrophobicContact CB-CG 4.03Å; D51-Q53 PolarHBondContact O-N 3.49Å
54E36.1Very low43.4Very low162 Ų16299.7 Ų99.776%0.75752%0.519SS*.THydrogen-bonded Turntrans-15059.8174.3-149.8170.2-157.300111V52 V56V52-E54 PolarHBondContact O-N 3.26Å; V52-E54 VanDerWaalsContact O-N 3.11Å; E54-V56 HydrophobicContact CG-CB 3.94Å; E54-V56 HydrophobicContact CG-CG2 4.05Å; E54-V56 PolarHBondContact O-N 2.99Å
55A38.2Very low44Very low18 Ų1898.6 Ų98.615%0.14951%0.512CS..  trans-65.92316300000112.9R58A55-R58 WeakPolarHBondContact O-CG 3.32Å
56V38.3Very low44.7Very low106 Ų10691.1 Ų91.164%0.64247%0.472SS*.THydrogen-bonded Turntrans-91.9122.4-178.4-167.20000106E54E54-V56 HydrophobicContact CG-CB 3.94Å; E54-V56 HydrophobicContact CG-CG2 4.05Å; E54-V56 PolarHBondContact O-N 2.99Å
57D42.7Very low45.4Very low151 Ų15187.9 Ų87.981%0.80746%0.461SS*.THydrogen-bonded Turntrans83.58.1-165.3-63.3-16.4000118.1S59D57-S59 PolarHBondContact O-N 2.82Å; D57-S59 PolarHBondContact O-OG 3.09Å
58R47.7Very low46.1Very low127 Ų12785.6 Ų85.648%0.47946%0.459SS..  trans37.120.5153-62.3-173.4-163.3-142.5-0.1120.6M1 A55 L86 G89M1-R58 WeakPolarHBondContact CB-O 2.91Å; M1-R58 PolarHBondContact N-O 2.76Å; A55-R58 WeakPolarHBondContact O-CG 3.32Å; R58-L86 HydrophobicContact CB-CD2 4.44Å; R58-L86 HydrophobicContact CG-CD2 4.37Å; R58-G89 PolarHBondContact NH1-OXT 3.07Å; R58-G89 PolarHBondContact NH2-O 2.89Å; R58-G89 PolarHBondContact NH2-OXT 2.87Å
59S49.6Very low46.8Very low52 Ų5279 Ų7936%0.36443%0.427SS..  trans-123.2113177.2-46.80000109.8M1 D57M1-S59 WeakPolarHBondContact CE-OG 3.3Å; D57-S59 PolarHBondContact O-N 2.82Å; D57-S59 PolarHBondContact O-OG 3.09Å
60F53.5Low47.4Very low57 Ų5780.2 Ų80.225%0.2543%0.428CS..EExtended strand (participates in β ladder)trans-99119.7176.9-70.4-86.8000109.2M1 L3 L82 L86M1-F60 PolarHBondContact O-N 3.23Å; L3-F60 PolarHBondContact N-O 3.38Å; F60-L82 HydrophobicContact CB-CD2 4.2Å; F60-L82 HydrophobicContact CD1-CD1 4.41Å; F60-L82 HydrophobicContact CD1-CD2 4.32Å; F60-L82 HydrophobicContact CD2-CD1 4.47Å; F60-L82 HydrophobicContact CD2-CD2 3.52Å; F60-L82 HydrophobicContact CD2-CG 4.24Å; F60-L82 HydrophobicContact CE1-CD1 4.06Å; F60-L82 HydrophobicContact CE2-CD1 4.09Å; F60-L82 HydrophobicContact CE2-CD2 3.86Å; F60-L82 HydrophobicContact CE2-CG 4.05Å; F60-L82 HydrophobicContact CG-CD2 3.76Å; F60-L82 HydrophobicContact CZ-CD1 3.88Å; F60-L82 HydrophobicContact CZ-CD2 4.41Å; F60-L82 HydrophobicContact CZ-CG 4.36Å; F60-L86 HydrophobicContact CD2-CD1 4.17Å; F60-L86 HydrophobicContact CD2-CD2 4.42Å; F60-L86 HydrophobicContact CE2-CD1 4.09Å; F60-L86 HydrophobicContact CE2-CD2 3.77Å; F60-L86 HydrophobicContact CE2-CG 4.08Å
61C54.7Low48.5Very low19 Ų1976.5 Ų76.513%0.12841%0.411CS..EExtended strand (participates in β ladder)trans-91.7118.4170.7-172.10000109R5 C36R5-C61 PolarHBondContact NE-SG 3.4Å; R5-C61 VanDerWaalsContact NE-SG 3.38Å; C36-C61 HydrophobicContact CB-CB 4.48Å; C36-C61 WeakPolarHBondContact SG-CB 3.45Å; C36-C61 VanDerWaalsContact SG-SG 3.65Å
62I58.6Low49.8Very low2 Ų272.4 Ų72.41%0.0139%0.39CS..  trans-106.512.9-174.652.9162.1000112.7I2 L3 I4 G64 Y65 L66 L75 L78I2-I62 HydrophobicContact CG2-CD1 3.26Å; I2-I62 HydrophobicContact CG2-CG1 3.73Å; L3-I62 WeakPolarHBondContact O-CG1 3.3Å; L3-I62 PolarHBondContact O-N 2.99Å; I4-I62 HydrophobicContact CG1-CD1 4.18Å; I62-G64 VanDerWaalsContact C-N 3.3Å; I62-G64 PolarHBondContact O-N 3.11Å; I62-Y65 CarbonylContact O-C 3.57Å; I62-Y65 WeakPolarHBondContact O-CA 3.1Å; I62-Y65 WeakPolarHBondContact O-CB 3.23Å; I62-Y65 PolarHBondContact O-N 2.83Å; I62-L66 HydrophobicContact CB-CG 4.5Å; I62-L66 HydrophobicContact CD1-CD1 3.73Å; I62-L66 HydrophobicContact CD1-CD2 4.11Å; I62-L66 HydrophobicContact CD1-CG 3.89Å; I62-L66 HydrophobicContact CG1-CD1 4.02Å; I62-L66 HydrophobicContact CG1-CG 4.19Å; I62-L66 WeakPolarHBondContact O-CG 3.25Å; I62-L66 PolarHBondContact O-N 3.21Å; I62-L75 HydrophobicContact CD1-CD1 3.36Å; I62-L78 HydrophobicContact CG2-CD2 3.83Å
63D52.5Low50.9Low19 Ų1973.8 Ų73.810%0.10239%0.39CS..Hα-helixtrans-58.6-39.2-173.1-87.617000113.8R5 L66 D67R5-D63 WeakPolarHBondContact CB-OD2 3.46Å; R5-D63 WeakPolarHBondContact CD-OD2 3.26Å; R5-D63 WeakPolarHBondContact CG-OD2 3.37Å; R5-D63 IonicContact CZ-OD2 3.47Å; R5-D63 PolarHBondContact N-OD1 2.85Å; R5-D63 IonicContact NE-OD2 2.65Å; R5-D63 PolarHBondContact NE-OD2 3.19Å; R5-D63 IonicContact NH2-OD2 3.45Å; R5-D63 PolarHBondContact NH2-OD2 2.77Å; D63-L66 PolarHBondContact O-N 2.68Å; D63-D67 PolarHBondContact O-N 2.85Å
64G53.7Low52Low42 Ų4269.2 Ų69.243%0.43337%0.371SS..Hα-helixtrans-69.7-38.2174.900000112.5I62 L66 D67 S68I62-G64 VanDerWaalsContact C-N 3.3Å; I62-G64 PolarHBondContact O-N 3.11Å; G64-L66 VanDerWaalsContact C-N 3.31Å; G64-L66 PolarHBondContact O-N 2.79Å; G64-D67 PolarHBondContact O-N 3.45Å; G64-S68 PolarHBondContact O-N 3.33Å; G64-S68 PolarHBondContact O-OG 2.82Å
65Y53Low53.2Low60 Ų6061.5 Ų61.524%0.23534%0.335CS..Hα-helixtrans-65.9-34176.7-171-100.1000111.7F44 I62 S68 T69 D74 L78F44-Y65 HydrophobicContact CD1-CD2 4.4Å; F44-Y65 HydrophobicContact CE1-CD2 4.46Å; I62-Y65 CarbonylContact O-C 3.57Å; I62-Y65 WeakPolarHBondContact O-CA 3.1Å; I62-Y65 WeakPolarHBondContact O-CB 3.23Å; I62-Y65 PolarHBondContact O-N 2.83Å; Y65-S68 PolarHBondContact O-N 3.16Å; Y65-S68 PolarHBondContact O-OG 3.39Å; Y65-S68 VanDerWaalsContact O-OG 3.14Å; Y65-T69 HydrophobicContact CD1-CG2 3.79Å; Y65-T69 HydrophobicContact CD2-CG2 4.26Å; Y65-T69 HydrophobicContact CE1-CG2 3.49Å; Y65-T69 VanDerWaalsContact CE1-CG2 3.49Å; Y65-T69 HydrophobicContact CE2-CG2 3.98Å; Y65-T69 HydrophobicContact CG-CG2 4.18Å; Y65-T69 VanDerWaalsContact O-CB 3.25Å; Y65-T69 WeakPolarHBondContact O-CB 3.46Å; Y65-T69 VanDerWaalsContact O-CG2 3.23Å; Y65-T69 WeakPolarHBondContact O-CG2 3.49Å; Y65-T69 PolarHBondContact O-N 2.84Å; Y65-T69 PolarHBondContact O-OG1 3.41Å; Y65-D74 HydrophobicContact CE1-CB 4.41Å; Y65-D74 PolarHBondContact OH-O 2.73Å; Y65-L78 HydrophobicContact CD1-CD2 3.88Å; Y65-L78 HydrophobicContact CE1-CB 4.21Å; Y65-L78 HydrophobicContact CE1-CD2 3.79Å; Y65-L78 HydrophobicContact CG-CD2 4.45Å
66L55.8Low54.3Low4 Ų461 Ų612%0.02133%0.33CS..Hα-helixtrans-75.5-24.8177.3-68.7-179.5000113.9I4 Q9 Y13 I62 D63 G64 T69 L75I4-L66 HydrophobicContact CG1-CD1 4.36Å; I4-L66 HydrophobicContact CG2-CD1 4.13Å; Q9-L66 HydrophobicContact CB-CD1 4.43Å; Q9-L66 PolarHBondContact NE2-O 2.8Å; Y13-L66 HydrophobicContact CD1-CD2 4.16Å; Y13-L66 HydrophobicContact CD2-CD1 3.95Å; Y13-L66 HydrophobicContact CD2-CD2 3.79Å; Y13-L66 HydrophobicContact CD2-CG 4.37Å; Y13-L66 HydrophobicContact CE1-CD2 4.06Å; Y13-L66 HydrophobicContact CE2-CB 4.17Å; Y13-L66 HydrophobicContact CE2-CD1 4.22Å; Y13-L66 HydrophobicContact CE2-CD2 3.68Å; Y13-L66 HydrophobicContact CE2-CG 4.25Å; Y13-L66 HydrophobicContact CG-CD2 4.05Å; I62-L66 HydrophobicContact CB-CG 4.5Å; I62-L66 HydrophobicContact CD1-CD1 3.73Å; I62-L66 HydrophobicContact CD1-CD2 4.11Å; I62-L66 HydrophobicContact CD1-CG 3.89Å; I62-L66 HydrophobicContact CG1-CD1 4.02Å; I62-L66 HydrophobicContact CG1-CG 4.19Å; I62-L66 WeakPolarHBondContact O-CG 3.25Å; I62-L66 PolarHBondContact O-N 3.21Å; D63-L66 PolarHBondContact O-N 2.68Å; G64-L66 VanDerWaalsContact C-N 3.31Å; G64-L66 PolarHBondContact O-N 2.79Å; L66-T69 WeakPolarHBondContact CA-OG1 3.02Å; L66-L75 HydrophobicContact CD2-CB 4.49Å; L66-L75 HydrophobicContact CD2-CD1 3.71Å; L66-L75 HydrophobicContact CD2-CD2 3.66Å; L66-L75 HydrophobicContact CD2-CG 4.14Å
67D54.4Low55.5Low111 Ų11157.9 Ų57.959%0.59431%0.312SS*.Hα-helixtrans-76.3-31172.9-81.1-11.4000111.8Q9 D63 G64Q9-D67 PolarHBondContact NE2-OD1 3.43Å; D63-D67 PolarHBondContact O-N 2.85Å; G64-D67 PolarHBondContact O-N 3.45Å
68S53.8Low56.5Low81 Ų8151.4 Ų51.457%0.56628%0.277SS*.Hα-helixtrans-89.4-26175.660.40000114G64 Y65 H70G64-S68 PolarHBondContact O-N 3.33Å; G64-S68 PolarHBondContact O-OG 2.82Å; Y65-S68 PolarHBondContact O-N 3.16Å; Y65-S68 PolarHBondContact O-OG 3.39Å; Y65-S68 VanDerWaalsContact O-OG 3.14Å; S68-H70 PolarHBondContact O-N 3.36Å
69T54.6Low57.2Low13 Ų1345.5 Ų45.58%0.0826%0.256CS..  trans-86.8110.717754.80000111.4Y13 Y65 L66 S71 D74Y13-T69 PolarHBondContact OH-O 3.14Å; Y65-T69 HydrophobicContact CD1-CG2 3.79Å; Y65-T69 HydrophobicContact CD2-CG2 4.26Å; Y65-T69 HydrophobicContact CE1-CG2 3.49Å; Y65-T69 VanDerWaalsContact CE1-CG2 3.49Å; Y65-T69 HydrophobicContact CE2-CG2 3.98Å; Y65-T69 HydrophobicContact CG-CG2 4.18Å; Y65-T69 VanDerWaalsContact O-CB 3.25Å; Y65-T69 WeakPolarHBondContact O-CB 3.46Å; Y65-T69 VanDerWaalsContact O-CG2 3.23Å; Y65-T69 WeakPolarHBondContact O-CG2 3.49Å; Y65-T69 PolarHBondContact O-N 2.84Å; Y65-T69 PolarHBondContact O-OG1 3.41Å; L66-T69 WeakPolarHBondContact CA-OG1 3.02Å; T69-S71 PolarHBondContact O-N 3.31Å; T69-D74 HydrophobicContact CG2-CB 3.73Å
70H55.2Low57.8Low170 Ų17048 Ų4879%0.78726%0.262SS*.  trans-74.2-14.1171.6-67.1-58.3000112.6S68S68-H70 PolarHBondContact O-N 3.36Å
71S60.7Low58.3Low38 Ų3850.6 Ų50.627%0.26628%0.278SS..  trans-115.2135.1-171.8100.90000112.6T69 H73 D74T69-S71 PolarHBondContact O-N 3.31Å; S71-H73 PolarHBondContact O-N 2.63Å; S71-H73 PolarHBondContact OG-N 3.31Å; S71-D74 WeakPolarHBondContact CB-OD2 3.42Å; S71-D74 PolarHBondContact OG-N 2.8Å; S71-D74 VanDerWaalsContact OG-N 3.08Å; S71-D74 PolarHBondContact OG-OD1 3.22Å; S71-D74 PolarHBondContact OG-OD2 3.3Å
72V59.2Low58.8Low36 Ų3651.1 Ų51.122%0.21828%0.279CS..Hα-helixtrans-61.1-25.9167.1162.70000111.3Y13 S16 L75 I76Y13-V72 HydrophobicContact CD1-CG2 3.81Å; Y13-V72 HydrophobicContact CE1-CG2 3.8Å; S16-V72 WeakPolarHBondContact OG-CG1 3.37Å; V72-L75 WeakPolarHBondContact O-CB 3.18Å; V72-L75 PolarHBondContact O-N 3.48Å; V72-I76 HydrophobicContact CG1-CD1 3.71Å; V72-I76 HydrophobicContact CG1-CG1 4.38Å; V72-I76 WeakPolarHBondContact O-CG1 3.34Å; V72-I76 PolarHBondContact O-N 3.22Å; V72-I76 VanDerWaalsContact O-N 3.1Å
73H59.4Low59Low125 Ų12552 Ų5258%0.57928%0.283SS*.Hα-helixtrans-65.9-44.8-177.7-172.668.8000111.5S71 L75 I76 C77S71-H73 PolarHBondContact O-N 2.63Å; S71-H73 PolarHBondContact OG-N 3.31Å; H73-L75 PolarHBondContact O-N 3.45Å; H73-I76 WeakPolarHBondContact O-CB 2.88Å; H73-I76 PolarHBondContact O-N 3.03Å; H73-C77 PolarHBondContact O-N 3.43Å; H73-C77 PolarHBondContact O-SG 3.5Å; H73-C77 VanDerWaalsContact O-SG 3.37Å
74D61.3Low59.3Low60 Ų6054.3 Ų54.332%0.32130%0.299SS..Hα-helixtrans-61.7-32.5178.8-55.2-35.5000111.8Y65 T69 S71 L78Y65-D74 HydrophobicContact CE1-CB 4.41Å; Y65-D74 PolarHBondContact OH-O 2.73Å; T69-D74 HydrophobicContact CG2-CB 3.73Å; S71-D74 WeakPolarHBondContact CB-OD2 3.42Å; S71-D74 PolarHBondContact OG-N 2.8Å; S71-D74 VanDerWaalsContact OG-N 3.08Å; S71-D74 PolarHBondContact OG-OD1 3.22Å; S71-D74 PolarHBondContact OG-OD2 3.3Å; D74-L78 WeakPolarHBondContact O-CB 3.44Å; D74-L78 PolarHBondContact O-N 2.87Å
75L61.2Low59.6Low1 Ų154.1 Ų54.11%0.00529%0.289CS..Hα-helixtrans-73-37.2176.2-173.964.7000112.6Y13 L17 I62 L66 V72 H73 L78 A79Y13-L75 HydrophobicContact CD1-CD2 3.43Å; Y13-L75 VanDerWaalsContact CD1-CD2 3.43Å; Y13-L75 HydrophobicContact CE1-CD2 4.27Å; Y13-L75 HydrophobicContact CG-CD2 3.65Å; L17-L75 HydrophobicContact CD1-CD2 3.58Å; L17-L75 HydrophobicContact CD1-CG 4.17Å; L17-L75 HydrophobicContact CD2-CD2 4.1Å; L17-L75 HydrophobicContact CD2-CG 4.06Å; L17-L75 HydrophobicContact CG-CD2 3.89Å; L17-L75 HydrophobicContact CG-CG 4.39Å; I62-L75 HydrophobicContact CD1-CD1 3.36Å; L66-L75 HydrophobicContact CD2-CB 4.49Å; L66-L75 HydrophobicContact CD2-CD1 3.71Å; L66-L75 HydrophobicContact CD2-CD2 3.66Å; L66-L75 HydrophobicContact CD2-CG 4.14Å; V72-L75 WeakPolarHBondContact O-CB 3.18Å; V72-L75 PolarHBondContact O-N 3.48Å; H73-L75 PolarHBondContact O-N 3.45Å; L75-L78 HydrophobicContact CD1-CD2 4.49Å; L75-L78 PolarHBondContact O-N 2.7Å; L75-A79 WeakPolarHBondContact O-CB 3.41Å; L75-A79 PolarHBondContact O-N 2.81Å
76I60.3Low59.7Low7 Ų751.8 Ų51.84%0.03628%0.281CS..Hα-helixtrans-66.3-46.7173.6-69.1160.2000109.6L17 Y20 V72 H73 L78 A79 E80L17-I76 HydrophobicContact CD2-CG1 4.31Å; Y20-I76 HydrophobicContact CD1-CB 4.47Å; Y20-I76 HydrophobicContact CD1-CD1 4Å; Y20-I76 HydrophobicContact CD1-CG1 4.22Å; Y20-I76 HydrophobicContact CD1-CG2 3.43Å; Y20-I76 VanDerWaalsContact CD1-CG2 3.43Å; Y20-I76 HydrophobicContact CD2-CD1 3.47Å; Y20-I76 VanDerWaalsContact CD2-CD1 3.47Å; Y20-I76 HydrophobicContact CD2-CG1 3.84Å; Y20-I76 HydrophobicContact CE1-CD1 3.88Å; Y20-I76 HydrophobicContact CE1-CG2 3.99Å; Y20-I76 HydrophobicContact CE2-CD1 3.35Å; Y20-I76 HydrophobicContact CE2-CG1 4.25Å; Y20-I76 HydrophobicContact CG-CB 4.46Å; Y20-I76 HydrophobicContact CG-CD1 3.79Å; Y20-I76 HydrophobicContact CG-CG1 3.83Å; Y20-I76 HydrophobicContact CG-CG2 3.75Å; V72-I76 HydrophobicContact CG1-CD1 3.71Å; V72-I76 HydrophobicContact CG1-CG1 4.38Å; V72-I76 WeakPolarHBondContact O-CG1 3.34Å; V72-I76 PolarHBondContact O-N 3.22Å; V72-I76 VanDerWaalsContact O-N 3.1Å; H73-I76 WeakPolarHBondContact O-CB 2.88Å; H73-I76 PolarHBondContact O-N 3.03Å; I76-L78 VanDerWaalsContact C-N 3.29Å; I76-L78 PolarHBondContact O-N 3.38Å; I76-A79 WeakPolarHBondContact O-CB 3.48Å; I76-A79 PolarHBondContact O-N 3.16Å; I76-A79 VanDerWaalsContact O-N 3.14Å; I76-E80 HydrophobicContact CG2-CG 4.23Å; I76-E80 WeakPolarHBondContact O-CB 3.22Å; I76-E80 WeakPolarHBondContact O-CG 3.39Å; I76-E80 PolarHBondContact O-N 3.28Å
77C62.7Low59.6Low40 Ų4056.1 Ų56.127%0.2730%0.301SS..Hα-helixtrans-59-42.4175.6-66.70000111.2H73 E80 N81H73-C77 PolarHBondContact O-N 3.43Å; H73-C77 PolarHBondContact O-SG 3.5Å; H73-C77 VanDerWaalsContact O-SG 3.37Å; C77-E80 PolarHBondContact O-N 3.17Å; C77-N81 WeakPolarHBondContact O-CB 3Å; C77-N81 PolarHBondContact O-N 3.44Å; C77-N81 PolarHBondContact O-ND2 2.94Å
78L65.5Low59.6Low15 Ų1557.8 Ų57.88%0.07931%0.31CS..Hα-helixtrans-59.8-49.6174.4-176.170000110.9I62 Y65 D74 L75 I76 E80 N81 L82I62-L78 HydrophobicContact CG2-CD2 3.83Å; Y65-L78 HydrophobicContact CD1-CD2 3.88Å; Y65-L78 HydrophobicContact CE1-CB 4.21Å; Y65-L78 HydrophobicContact CE1-CD2 3.79Å; Y65-L78 HydrophobicContact CG-CD2 4.45Å; D74-L78 WeakPolarHBondContact O-CB 3.44Å; D74-L78 PolarHBondContact O-N 2.87Å; L75-L78 HydrophobicContact CD1-CD2 4.49Å; L75-L78 PolarHBondContact O-N 2.7Å; I76-L78 VanDerWaalsContact C-N 3.29Å; I76-L78 PolarHBondContact O-N 3.38Å; L78-E80 PolarHBondContact O-N 2.82Å; L78-N81 PolarHBondContact O-N 3.28Å; L78-L82 WeakPolarHBondContact O-CB 3.16Å; L78-L82 PolarHBondContact O-N 3.25Å
79A61.8Low59.3Low3 Ų357.1 Ų57.13%0.02532%0.316CS..Hα-helixtrans-55.9-51176.200000112.1I2 L17 L75 I76 N81 L82 F83I2-A79 HydrophobicContact CD1-CB 4.2Å; L17-A79 HydrophobicContact CD2-CB 4.39Å; L75-A79 WeakPolarHBondContact O-CB 3.41Å; L75-A79 PolarHBondContact O-N 2.81Å; I76-A79 WeakPolarHBondContact O-CB 3.48Å; I76-A79 PolarHBondContact O-N 3.16Å; I76-A79 VanDerWaalsContact O-N 3.14Å; A79-N81 VanDerWaalsContact C-N 3.27Å; A79-N81 PolarHBondContact O-N 3.23Å; A79-L82 PolarHBondContact O-N 3.4Å; A79-F83 VanDerWaalsContact C-CD2 3.47Å; A79-F83 HydrophobicContact CB-CD2 3.79Å; A79-F83 HydrophobicContact CB-CE2 3.5Å; A79-F83 VanDerWaalsContact O-CB 3.3Å; A79-F83 WeakPolarHBondContact O-CB 3.2Å; A79-F83 WeakPolarHBondContact O-CD2 3.22Å; A79-F83 WeakPolarHBondContact O-CG 3.23Å; A79-F83 PolarHBondContact O-N 2.98Å
80E61.5Low59.5Low106 Ų10659.4 Ų59.450%0.49533%0.328SS..Hα-helixtrans-61.5-32-179-73.7178.3164.200113.2I76 C77 L78 P84I76-E80 HydrophobicContact CG2-CG 4.23Å; I76-E80 WeakPolarHBondContact O-CB 3.22Å; I76-E80 WeakPolarHBondContact O-CG 3.39Å; I76-E80 PolarHBondContact O-N 3.28Å; C77-E80 PolarHBondContact O-N 3.17Å; L78-E80 PolarHBondContact O-N 2.82Å; E80-P84 WeakPolarHBondContact O-CD 3.19Å; E80-P84 WeakPolarHBondContact O-CG 3.2Å
81N65.2Low59.7Low110 Ų11053.5 Ų53.559%0.58830%0.304SS*.Hα-helixtrans-83.9-35176.2-72.5-64000112.7C77 L78 A79C77-N81 WeakPolarHBondContact O-CB 3Å; C77-N81 PolarHBondContact O-N 3.44Å; C77-N81 PolarHBondContact O-ND2 2.94Å; L78-N81 PolarHBondContact O-N 3.28Å; A79-N81 VanDerWaalsContact C-N 3.27Å; A79-N81 PolarHBondContact O-N 3.23Å
82L63.6Low59.7Low30 Ų3054.4 Ų54.416%0.15731%0.306CS..Hα-helixtrans-81.7-31.3-176.2-159.184.7000112.7F60 L78 A79 V85 L86F60-L82 HydrophobicContact CB-CD2 4.2Å; F60-L82 HydrophobicContact CD1-CD1 4.41Å; F60-L82 HydrophobicContact CD1-CD2 4.32Å; F60-L82 HydrophobicContact CD2-CD1 4.47Å; F60-L82 HydrophobicContact CD2-CD2 3.52Å; F60-L82 HydrophobicContact CD2-CG 4.24Å; F60-L82 HydrophobicContact CE1-CD1 4.06Å; F60-L82 HydrophobicContact CE2-CD1 4.09Å; F60-L82 HydrophobicContact CE2-CD2 3.86Å; F60-L82 HydrophobicContact CE2-CG 4.05Å; F60-L82 HydrophobicContact CG-CD2 3.76Å; F60-L82 HydrophobicContact CZ-CD1 3.88Å; F60-L82 HydrophobicContact CZ-CD2 4.41Å; F60-L82 HydrophobicContact CZ-CG 4.36Å; L78-L82 WeakPolarHBondContact O-CB 3.16Å; L78-L82 PolarHBondContact O-N 3.25Å; A79-L82 PolarHBondContact O-N 3.4Å; L82-V85 WeakPolarHBondContact O-CB 3.28Å; L82-V85 PolarHBondContact O-N 2.78Å; L82-L86 HydrophobicContact CD2-CD1 4.13Å; L82-L86 HydrophobicContact CG-CD1 4.24Å; L82-L86 WeakPolarHBondContact O-CB 3.46Å; L82-L86 WeakPolarHBondContact O-CG 3.48Å; L82-L86 PolarHBondContact O-N 3.45Å
83F62.9Low59.7Low22 Ų2255.5 Ų55.510%0.09631%0.311CS..Hα-helixtrans-66.2-45.5-179-79.5-55.8000113.6I2 V21 Y26 A79 V85 L86 E87I2-F83 HydrophobicContact CD1-CE2 3.94Å; I2-F83 HydrophobicContact CD1-CZ 3.65Å; I2-F83 HydrophobicContact CG1-CZ 4.16Å; V21-F83 HydrophobicContact CB-CE2 4.19Å; V21-F83 HydrophobicContact CG1-CD2 4.08Å; V21-F83 HydrophobicContact CG1-CE1 4.28Å; V21-F83 HydrophobicContact CG1-CE2 3.47Å; V21-F83 VanDerWaalsContact CG1-CE2 3.47Å; V21-F83 HydrophobicContact CG1-CZ 3.6Å; V21-F83 HydrophobicContact CG2-CD2 4.39Å; V21-F83 HydrophobicContact CG2-CE2 3.56Å; V21-F83 HydrophobicContact CG2-CZ 4.2Å; Y26-F83 HydrophobicContact CD2-CD1 4.13Å; Y26-F83 AromaticContact CD2-CE1 3.71Å; Y26-F83 HydrophobicContact CD2-CE1 3.71Å; Y26-F83 HydrophobicContact CG-CD1 4.45Å; Y26-F83 AromaticContact CG-CE1 3.78Å; Y26-F83 HydrophobicContact CG-CE1 3.78Å; A79-F83 VanDerWaalsContact C-CD2 3.47Å; A79-F83 HydrophobicContact CB-CD2 3.79Å; A79-F83 HydrophobicContact CB-CE2 3.5Å; A79-F83 VanDerWaalsContact O-CB 3.3Å; A79-F83 WeakPolarHBondContact O-CB 3.2Å; A79-F83 WeakPolarHBondContact O-CD2 3.22Å; A79-F83 WeakPolarHBondContact O-CG 3.23Å; A79-F83 PolarHBondContact O-N 2.98Å; F83-V85 PolarHBondContact O-N 3.38Å; F83-L86 HydrophobicContact CD1-CD1 4.47Å; F83-L86 PolarHBondContact O-N 2.93Å; F83-L86 VanDerWaalsContact O-N 3.12Å; F83-E87 WeakPolarHBondContact O-CG 3.49Å; F83-E87 PolarHBondContact O-N 2.82Å
84P59.4Low59.7Low66 Ų6651.1 Ų51.143%0.42930%0.295SS..Hα-helixtrans-59-34.3173.9-25.334.9000112.8E80 N88E80-P84 WeakPolarHBondContact O-CD 3.19Å; E80-P84 WeakPolarHBondContact O-CG 3.2Å; P84-N88 WeakPolarHBondContact O-CB 3.4Å; P84-N88 PolarHBondContact O-N 2.65Å; P84-N88 PolarHBondContact O-ND2 2.79Å
85V59.9Low59.6Low38 Ų3850.5 Ų50.523%0.2329%0.293CS..Hα-helixtrans-66.9-45.3174.4165.80000111.3V52 L82 F83 N88 G89V52-V85 HydrophobicContact CB-CG1 4.12Å; V52-V85 HydrophobicContact CG1-CB 4.39Å; V52-V85 HydrophobicContact CG1-CG1 3.23Å; V52-V85 HydrophobicContact CG1-CG2 4.4Å; V52-V85 HydrophobicContact CG2-CB 4.4Å; V52-V85 HydrophobicContact CG2-CG1 3.75Å; V52-V85 HydrophobicContact CG2-CG2 3.78Å; L82-V85 WeakPolarHBondContact O-CB 3.28Å; L82-V85 PolarHBondContact O-N 2.78Å; F83-V85 PolarHBondContact O-N 3.38Å; V85-N88 PolarHBondContact O-N 3.03Å; V85-G89 PolarHBondContact O-N 3.22Å; V85-G89 VanDerWaalsContact O-N 3.1Å
86L54.3Low59.5Low12 Ų1254.1 Ų54.16%0.06331%0.313CS..Hα-helixtrans-70.8-27.2179.7-80.2172.7000114.2R58 F60 L82 F83R58-L86 HydrophobicContact CB-CD2 4.44Å; R58-L86 HydrophobicContact CG-CD2 4.37Å; F60-L86 HydrophobicContact CD2-CD1 4.17Å; F60-L86 HydrophobicContact CD2-CD2 4.42Å; F60-L86 HydrophobicContact CE2-CD1 4.09Å; F60-L86 HydrophobicContact CE2-CD2 3.77Å; F60-L86 HydrophobicContact CE2-CG 4.08Å; L82-L86 HydrophobicContact CD2-CD1 4.13Å; L82-L86 HydrophobicContact CG-CD1 4.24Å; L82-L86 WeakPolarHBondContact O-CB 3.46Å; L82-L86 WeakPolarHBondContact O-CG 3.48Å; L82-L86 PolarHBondContact O-N 3.45Å; F83-L86 HydrophobicContact CD1-CD1 4.47Å; F83-L86 PolarHBondContact O-N 2.93Å; F83-L86 VanDerWaalsContact O-N 3.12Å
87E54.7Low59.4Low95 Ų9557.7 Ų57.744%0.44434%0.335SS..Hα-helixtrans-82.4-25.3177-72.9-166.3162.900113K23 F83K23-E87 WeakPolarHBondContact CD-OE1 3.47Å; K23-E87 WeakPolarHBondContact CE-OE1 3.05Å; K23-E87 IonicContact NZ-OE1 2.65Å; K23-E87 PolarHBondContact NZ-OE1 3.22Å; K23-E87 IonicContact NZ-OE2 3.78Å; F83-E87 WeakPolarHBondContact O-CG 3.49Å; F83-E87 PolarHBondContact O-N 2.82Å
88N53.5Low59.1Low145 Ų14559.2 Ų59.278%0.77534%0.34SS*.Hα-helixtrans-107.81.4-176.9-65.8-63.6000114.6P84 V85P84-N88 WeakPolarHBondContact O-CB 3.4Å; P84-N88 PolarHBondContact O-N 2.65Å; P84-N88 PolarHBondContact O-ND2 2.79Å; V85-N88 PolarHBondContact O-N 3.03Å
89G47.4Very low58.6Low68 Ų6863.2 Ų63.270%0.70136%0.364SS*.  trans-110.60169.600000112.2R58 V85R58-G89 PolarHBondContact NH1-OXT 3.07Å; R58-G89 PolarHBondContact NH2-O 2.89Å; R58-G89 PolarHBondContact NH2-OXT 2.87Å; V85-G89 PolarHBondContact O-N 3.22Å; V85-G89 VanDerWaalsContact O-N 3.1Å

Retrieved 89 of 89 residues in 293.5 ms (Link to these results)

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