A0A077ZII0_TRITR Loading...

Ring finger protein 167

AlphaFold DB , UniProt , Accession A0A077ZII0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 315 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
1M48.2Very low71.7Confident242 Ų242101.4 Ų101.4100%1.19250%0.499SS*.  0112.60-73.8175.5-164.200106.7R3M1-R3 PolarHBondContact O-N 3.12Å
2E55.6Low73.3Confident147 Ų14793.1 Ų93.169%0.68746%0.459SS*.  trans-58.5131.6173.5-73.6166.2151.800109.1C4 R25E2-C4 PolarHBondContact O-N 3.09Å; E2-C4 VanDerWaalsContact O-N 3.14Å; E2-R25 IonicContact OE2-CZ 3.99Å; E2-R25 IonicContact OE2-NH2 3.89Å; E2-R25 PolarHBondContact OE2-NH2 3.27Å
3R60.4Low74.5Confident235 Ų23595.7 Ų95.789%0.88747%0.466SS*.  trans-65.6113.5177.5-67.8-178.7-171171.22.2107.9M1 Q5M1-R3 PolarHBondContact O-N 3.12Å; R3-Q5 PolarHBondContact O-N 3.41Å
4C65.7Low75.7Confident63 Ų6391.8 Ų91.843%0.42645%0.452SS..  trans-70.6122.1172.5-61.20000108.3E2 H19 C22E2-C4 PolarHBondContact O-N 3.09Å; E2-C4 VanDerWaalsContact O-N 3.14Å; C4-H19 HydrophobicContact CB-CB 4.24Å; C4-H19 VanDerWaalsContact CB-CE1 3.43Å; C4-H19 WeakPolarHBondContact CB-CE1 3.3Å; C4-H19 WeakPolarHBondContact CB-ND1 3.24Å; C4-C22 PolarHBondContact SG-SG 3.48Å
5Q68.4Low76.7Confident135 Ų13589.5 Ų89.563%0.63146%0.461SS*.  trans-89.3142.2178-62.4-177.78.400109.5R3 N7 D8R3-Q5 PolarHBondContact O-N 3.41Å; Q5-N7 PolarHBondContact O-N 3.04Å; Q5-N7 VanDerWaalsContact O-N 3.09Å; Q5-D8 PolarHBondContact O-N 3.34Å
6V70.7Confident77.7Confident86 Ų8687.8 Ų87.852%0.52145%0.45SS..G310 helixtrans-57.5-25177-179.70000111.8D8 L9V6-D8 PolarHBondContact O-N 2.78Å; V6-L9 HydrophobicContact CG1-CD1 4.45Å; V6-L9 WeakPolarHBondContact O-CG 3.47Å
7N70.2Confident78.5Confident100 Ų10087.2 Ų87.254%0.53545%0.452SS..G310 helixtrans-76.8-2.6-179.5-59.9-8.5000113.9Q5Q5-N7 PolarHBondContact O-N 3.04Å; Q5-N7 VanDerWaalsContact O-N 3.09Å
8D83Confident79.2Confident55 Ų5584.6 Ų84.629%0.29444%0.437SS..G310 helixtrans-114.743.2179.5-16638.9000112.2Q5 V6 H19 A20Q5-D8 PolarHBondContact O-N 3.34Å; V6-D8 PolarHBondContact O-N 2.78Å; D8-H19 CarbonylContact O-C 3.49Å; D8-H19 VanDerWaalsContact O-CA 3.27Å; D8-H19 WeakPolarHBondContact O-CA 3.36Å; D8-A20 PolarHBondContact O-N 3.28Å; D8-A20 WeakPolarHBondContact OD1-CB 3.26Å
9L87.7Confident79.7Confident34 Ų3483.3 Ų83.318%0.17843%0.428CS..EExtended strand (participates in β ladder)trans-83.9141.6175.1-69.9173.5000111.7V6 F18 L49 L51V6-L9 HydrophobicContact CG1-CD1 4.45Å; V6-L9 WeakPolarHBondContact O-CG 3.47Å; L9-F18 CarbonylContact C-O 3.59Å; L9-F18 WeakPolarHBondContact CA-O 3.5Å; L9-L49 HydrophobicContact CB-CB 4.41Å; L9-L49 HydrophobicContact CB-CD1 4.28Å; L9-L49 PolarHBondContact O-N 2.92Å; L9-L51 HydrophobicContact CD1-CD1 3.74Å
10S88.8Confident80.1Confident5 Ų579.9 Ų79.94%0.03541%0.413CS..EExtended strand (participates in β ladder)trans-134135.6173.5-69.80000110.5T17 F18 A20 Y47S10-T17 WeakPolarHBondContact O-CA 3.44Å; S10-F18 PolarHBondContact N-O 3.29Å; S10-F18 PolarHBondContact O-N 2.89Å; S10-F18 VanDerWaalsContact O-O 3.11Å; S10-A20 VanDerWaalsContact OG-CB 3.25Å; S10-A20 WeakPolarHBondContact OG-CB 3.35Å; S10-Y47 CarbonylContact C-O 3.47Å; S10-Y47 WeakPolarHBondContact CA-O 3.33Å
11A90.1Very high80.4Confident13 Ų1378.8 Ų78.811%0.10741%0.406CS..EExtended strand (participates in β ladder)trans-91.2137.4173.200000110.6T17 M46 Y47 L49A11-T17 HydrophobicContact CB-CG2 4Å; A11-M46 CarbonylContact O-C 3.6Å; A11-M46 WeakPolarHBondContact O-CA 3.47Å; A11-Y47 PolarHBondContact N-O 2.86Å; A11-Y47 PolarHBondContact O-N 3.17Å; A11-L49 HydrophobicContact CB-CD1 4.34Å; A11-L49 HydrophobicContact CB-CD2 4.3Å; A11-L49 HydrophobicContact CB-CG 4.44Å
12L90.8Very high82.3Confident2 Ų269.6 Ų69.61%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-77.8162.5165.6-64.6-177.8000110.8C14 G15 H16 F18 V23 L27 C33 C40 C45 M46L12-C14 PolarHBondContact O-N 3.35Å; L12-G15 PolarHBondContact O-N 3.17Å; L12-H16 PolarHBondContact N-O 2.9Å; L12-F18 HydrophobicContact CD1-CD2 4Å; L12-F18 HydrophobicContact CD1-CE2 3.57Å; L12-F18 HydrophobicContact CG-CD2 4.02Å; L12-F18 HydrophobicContact CG-CE2 3.96Å; L12-V23 HydrophobicContact CD1-CG2 3.93Å; L12-V23 HydrophobicContact CD2-CG2 3.9Å; L12-V23 HydrophobicContact CG-CG2 4.15Å; L12-L27 HydrophobicContact CD2-CD1 3.9Å; L12-C33 HydrophobicContact CD1-CB 3.91Å; L12-C40 HydrophobicContact CD1-CB 4.3Å; L12-C40 HydrophobicContact CD2-CB 4.42Å; L12-C45 CarbonylContact C-O 3.59Å; L12-C45 WeakPolarHBondContact CA-O 3.4Å; L12-M46 HydrophobicContact CD2-CG 3.91Å
13K88.6Confident84Confident127 Ų12762.7 Ų62.755%0.55233%0.333SS*.THydrogen-bonded Turntrans-54.9-24.1173-73.3-169.3-177.7179.10114.5G15 S44 C45 Y47K13-G15 PolarHBondContact O-N 2.87Å; K13-S44 WeakPolarHBondContact CE-O 3.44Å; K13-S44 PolarHBondContact NZ-O 3.44Å; K13-C45 HydrophobicContact CB-CB 4.5Å; K13-C45 HydrophobicContact CD-CB 4.19Å; K13-C45 VanDerWaalsContact CD-SG 3.54Å; K13-C45 HydrophobicContact CG-CB 3.9Å; K13-C45 PolarHBondContact N-O 3.47Å; K13-C45 VanDerWaalsContact N-O 3.13Å; K13-Y47 HydrophobicContact CG-CE2 3.93Å
14C91.5Very high85.3Confident41 Ų4156 Ų5628%0.27731%0.308SS..THydrogen-bonded Turntrans-80.41.6174.760.20000113.9L12 H16 C36 C38L12-C14 PolarHBondContact O-N 3.35Å; C14-H16 VanDerWaalsContact C-N 3.33Å; C14-H16 PolarHBondContact O-N 3.15Å; C14-H16 PolarHBondContact SG-ND1 3.26Å; C14-C36 VanDerWaalsContact SG-SG 3.66Å; C14-C38 HydrophobicContact CB-CB 3.98Å
15G90.1Very high86.4Confident57 Ų5758.2 Ų58.259%0.58831%0.307SS*.SBendtrans88.2-14.417900000115.2L12 K13L12-G15 PolarHBondContact O-N 3.17Å; K13-G15 PolarHBondContact O-N 2.87Å
16H92.9Very high87.5Confident62 Ų6257 Ų5729%0.28730%0.297SS..  trans-71.7134.2177.9-6398.7000111.8L12 C14 F18 T35 C36L12-H16 PolarHBondContact N-O 2.9Å; C14-H16 VanDerWaalsContact C-N 3.33Å; C14-H16 PolarHBondContact O-N 3.15Å; C14-H16 PolarHBondContact SG-ND1 3.26Å; H16-F18 HydrophobicContact CB-CE2 3.51Å; H16-F18 HydrophobicContact CB-CZ 3.73Å; H16-T35 WeakPolarHBondContact NE2-CG2 3.49Å; H16-C36 VanDerWaalsContact CE1-CB 3.48Å; H16-C36 WeakPolarHBondContact CE1-CB 3.3Å; H16-C36 PolarHBondContact CE1-SG 3.29Å; H16-C36 PolarHBondContact ND1-SG 2.98Å; H16-C36 VanDerWaalsContact ND1-SG 3.41Å
17T91.5Very high88.5Confident78 Ų7853.5 Ų53.548%0.47928%0.275SS..EExtended strand (participates in β ladder)trans-103.2140.6-176.654.60000111.8S10 A11 L49S10-T17 WeakPolarHBondContact O-CA 3.44Å; A11-T17 HydrophobicContact CB-CG2 4Å; T17-L49 HydrophobicContact CG2-CD1 3.67Å
18F90.6Very high89.4Confident40 Ų4054.7 Ų54.718%0.17528%0.281CS..EExtended strand (participates in β ladder)trans-147.4161.6-179.1-55.6-83.8000109.4L9 S10 L12 H16 A20 V23 P34 T35L9-F18 CarbonylContact C-O 3.59Å; L9-F18 WeakPolarHBondContact CA-O 3.5Å; S10-F18 PolarHBondContact N-O 3.29Å; S10-F18 PolarHBondContact O-N 2.89Å; S10-F18 VanDerWaalsContact O-O 3.11Å; L12-F18 HydrophobicContact CD1-CD2 4Å; L12-F18 HydrophobicContact CD1-CE2 3.57Å; L12-F18 HydrophobicContact CG-CD2 4.02Å; L12-F18 HydrophobicContact CG-CE2 3.96Å; H16-F18 HydrophobicContact CB-CE2 3.51Å; H16-F18 HydrophobicContact CB-CZ 3.73Å; F18-A20 PolarHBondContact O-N 3.44Å; F18-V23 HydrophobicContact CB-CB 3.62Å; F18-V23 HydrophobicContact CB-CG1 4.02Å; F18-V23 HydrophobicContact CB-CG2 4.21Å; F18-V23 HydrophobicContact CD2-CB 4.17Å; F18-V23 HydrophobicContact CD2-CG2 3.8Å; F18-V23 HydrophobicContact CE2-CG2 4.44Å; F18-V23 HydrophobicContact CG-CB 4Å; F18-V23 HydrophobicContact CG-CG2 4.06Å; F18-P34 HydrophobicContact CD1-CG 4.46Å; F18-P34 HydrophobicContact CE1-CB 4Å; F18-P34 HydrophobicContact CE1-CG 3.82Å; F18-P34 HydrophobicContact CZ-CB 4.16Å; F18-P34 HydrophobicContact CZ-CG 3.9Å; F18-T35 WeakPolarHBondContact CZ-OG1 3.42Å
19H89.4Confident89.7Confident60 Ų6056 Ų5628%0.27830%0.295SS..EExtended strand (participates in β ladder)trans-61.2133165.4-55.1114.7000109.5C4 D8 E21 C22 V23C4-H19 HydrophobicContact CB-CB 4.24Å; C4-H19 VanDerWaalsContact CB-CE1 3.43Å; C4-H19 WeakPolarHBondContact CB-CE1 3.3Å; C4-H19 WeakPolarHBondContact CB-ND1 3.24Å; D8-H19 CarbonylContact O-C 3.49Å; D8-H19 VanDerWaalsContact O-CA 3.27Å; D8-H19 WeakPolarHBondContact O-CA 3.36Å; H19-E21 VanDerWaalsContact C-N 3.26Å; H19-E21 PolarHBondContact O-N 2.97Å; H19-C22 HydrophobicContact CB-CB 3.99Å; H19-C22 WeakPolarHBondContact O-CB 3.46Å; H19-C22 PolarHBondContact O-N 2.89Å; H19-V23 PolarHBondContact O-N 3.27Å
20A87.1Confident89.9Confident15 Ų1557.7 Ų57.712%0.12430%0.304CS..Hα-helixtrans-52.9-48.7-173.300000110.8D8 S10 F18 C22 V23 R24 M46D8-A20 PolarHBondContact O-N 3.28Å; D8-A20 WeakPolarHBondContact OD1-CB 3.26Å; S10-A20 VanDerWaalsContact OG-CB 3.25Å; S10-A20 WeakPolarHBondContact OG-CB 3.35Å; F18-A20 PolarHBondContact O-N 3.44Å; A20-C22 PolarHBondContact O-N 3.38Å; A20-V23 WeakPolarHBondContact O-CG1 3.38Å; A20-R24 WeakPolarHBondContact O-CB 3.36Å; A20-R24 PolarHBondContact O-N 2.89Å; A20-M46 HydrophobicContact CB-CE 3.96Å; A20-M46 WeakPolarHBondContact O-CE 3.17Å
21E86.7Confident89.9Confident58 Ų5860.7 Ų60.727%0.27132%0.323SS..Hα-helixtrans-67.6-36.8-179.9-178.555.7-157.100113.3H19 R24 R25H19-E21 VanDerWaalsContact C-N 3.26Å; H19-E21 PolarHBondContact O-N 2.97Å; E21-R24 IonicContact OE1-CZ 2.79Å; E21-R24 IonicContact OE1-NE 2.7Å; E21-R24 IonicContact OE1-NH2 3.65Å; E21-R24 PolarHBondContact OE1-NH2 2.85Å; E21-R24 IonicContact OE2-CZ 3.11Å; E21-R24 VanDerWaalsContact OE2-CZ 3.26Å; E21-R24 IonicContact OE2-NE 2.93Å; E21-R24 PolarHBondContact OE2-NE 3.37Å; E21-R24 IonicContact OE2-NH2 3.26Å; E21-R24 PolarHBondContact OE2-NH2 3.48Å; E21-R25 WeakPolarHBondContact O-CG 3.35Å; E21-R25 PolarHBondContact O-N 3.34Å; E21-R25 IonicContact OE1-CZ 2.7Å; E21-R25 IonicContact OE1-NE 2.75Å; E21-R25 PolarHBondContact OE1-NE 3.43Å; E21-R25 IonicContact OE1-NH2 3.35Å; E21-R25 PolarHBondContact OE1-NH2 3.49Å; E21-R25 VanDerWaalsContact OE1-NH2 3.11Å
22C88.8Confident90Very high49 Ų4965.8 Ų65.833%0.33134%0.34SS..Hα-helixtrans-65.1-48.2177.7-71.60000111.7C4 H19 A20 R25 W26C4-C22 PolarHBondContact SG-SG 3.48Å; H19-C22 HydrophobicContact CB-CB 3.99Å; H19-C22 WeakPolarHBondContact O-CB 3.46Å; H19-C22 PolarHBondContact O-N 2.89Å; A20-C22 PolarHBondContact O-N 3.38Å; C22-R25 PolarHBondContact O-N 2.93Å; C22-W26 PolarHBondContact O-N 3.35Å
23V90Very high90.1Very high2 Ų265.8 Ų65.81%0.01234%0.34CS..Hα-helixtrans-72.9-32.5-179.271.50000111.5L12 F18 H19 A20 R25 W26 L27 M46L12-V23 HydrophobicContact CD1-CG2 3.93Å; L12-V23 HydrophobicContact CD2-CG2 3.9Å; L12-V23 HydrophobicContact CG-CG2 4.15Å; F18-V23 HydrophobicContact CB-CB 3.62Å; F18-V23 HydrophobicContact CB-CG1 4.02Å; F18-V23 HydrophobicContact CB-CG2 4.21Å; F18-V23 HydrophobicContact CD2-CB 4.17Å; F18-V23 HydrophobicContact CD2-CG2 3.8Å; F18-V23 HydrophobicContact CE2-CG2 4.44Å; F18-V23 HydrophobicContact CG-CB 4Å; F18-V23 HydrophobicContact CG-CG2 4.06Å; H19-V23 PolarHBondContact O-N 3.27Å; A20-V23 WeakPolarHBondContact O-CG1 3.38Å; V23-R25 PolarHBondContact O-N 3.32Å; V23-W26 WeakPolarHBondContact O-CB 3.45Å; V23-W26 PolarHBondContact O-N 2.89Å; V23-L27 HydrophobicContact CG2-CD1 4.04Å; V23-L27 HydrophobicContact CG2-CG 4.12Å; V23-L27 WeakPolarHBondContact O-CB 3.44Å; V23-L27 VanDerWaalsContact O-CG 3.23Å; V23-L27 WeakPolarHBondContact O-CG 3.46Å; V23-L27 PolarHBondContact O-N 2.92Å; V23-M46 HydrophobicContact CG1-CE 3.39Å; V23-M46 HydrophobicContact CG1-CG 4.49Å; V23-M46 HydrophobicContact CG1-SD 3.86Å
24R88.7Confident90.3Very high95 Ų9562.2 Ų62.236%0.35833%0.33SS..Hα-helixtrans-58.9-48.1171.9-171.4-172.571.780.20.2111.2A20 E21 W26 L27 L28 M46A20-R24 WeakPolarHBondContact O-CB 3.36Å; A20-R24 PolarHBondContact O-N 2.89Å; E21-R24 IonicContact OE1-CZ 2.79Å; E21-R24 IonicContact OE1-NE 2.7Å; E21-R24 IonicContact OE1-NH2 3.65Å; E21-R24 PolarHBondContact OE1-NH2 2.85Å; E21-R24 IonicContact OE2-CZ 3.11Å; E21-R24 VanDerWaalsContact OE2-CZ 3.26Å; E21-R24 IonicContact OE2-NE 2.93Å; E21-R24 PolarHBondContact OE2-NE 3.37Å; E21-R24 IonicContact OE2-NH2 3.26Å; E21-R24 PolarHBondContact OE2-NH2 3.48Å; R24-W26 PolarHBondContact O-N 2.88Å; R24-L27 PolarHBondContact O-N 3.31Å; R24-L28 WeakPolarHBondContact O-CG 3.24Å; R24-L28 PolarHBondContact O-N 2.88Å; R24-L28 VanDerWaalsContact O-N 3.12Å; R24-M46 HydrophobicContact CB-SD 4.5Å
25R89.4Confident90.4Very high109 Ų10964.4 Ų64.441%0.41134%0.343SS..Hα-helixtrans-60.4-43.3175.6-71.5175.1-157.9158.1-2.2112.3E2 E21 C22 V23 L28E2-R25 IonicContact OE2-CZ 3.99Å; E2-R25 IonicContact OE2-NH2 3.89Å; E2-R25 PolarHBondContact OE2-NH2 3.27Å; E21-R25 WeakPolarHBondContact O-CG 3.35Å; E21-R25 PolarHBondContact O-N 3.34Å; E21-R25 IonicContact OE1-CZ 2.7Å; E21-R25 IonicContact OE1-NE 2.75Å; E21-R25 PolarHBondContact OE1-NE 3.43Å; E21-R25 IonicContact OE1-NH2 3.35Å; E21-R25 PolarHBondContact OE1-NH2 3.49Å; E21-R25 VanDerWaalsContact OE1-NH2 3.11Å; C22-R25 PolarHBondContact O-N 2.93Å; V23-R25 PolarHBondContact O-N 3.32Å; R25-L28 PolarHBondContact O-N 2.96Å
26W91.4Very high90.6Very high109 Ų10964.1 Ų64.141%0.41333%0.331SS..Hα-helixtrans-59-50.4175.7177-88.9000111.4C22 V23 R24 L28 S29 N30 Y32 P34C22-W26 PolarHBondContact O-N 3.35Å; V23-W26 WeakPolarHBondContact O-CB 3.45Å; V23-W26 PolarHBondContact O-N 2.89Å; R24-W26 PolarHBondContact O-N 2.88Å; W26-L28 VanDerWaalsContact C-N 3.25Å; W26-L28 PolarHBondContact O-N 2.9Å; W26-S29 PolarHBondContact O-N 3.11Å; W26-S29 PolarHBondContact O-OG 3.33Å; W26-N30 HydrophobicContact CZ2-CB 4.28Å; W26-N30 PolarHBondContact O-N 3.06Å; W26-Y32 PolarHBondContact NE1-O 2.98Å; W26-P34 HydrophobicContact CD2-CG 3.98Å; W26-P34 HydrophobicContact CG-CG 3.94Å; W26-P34 HydrophobicContact CZ2-CB 4.36Å; W26-P34 HydrophobicContact CZ2-CG 4.44Å
27L90.6Very high90.6Very high12 Ų1270.5 Ų70.56%0.06335%0.353CS..Hα-helixtrans-68-19.1-176-67.5178.4000114.4L12 V23 R24 S29 N30 C40 A42L12-L27 HydrophobicContact CD2-CD1 3.9Å; V23-L27 HydrophobicContact CG2-CD1 4.04Å; V23-L27 HydrophobicContact CG2-CG 4.12Å; V23-L27 WeakPolarHBondContact O-CB 3.44Å; V23-L27 VanDerWaalsContact O-CG 3.23Å; V23-L27 WeakPolarHBondContact O-CG 3.46Å; V23-L27 PolarHBondContact O-N 2.92Å; R24-L27 PolarHBondContact O-N 3.31Å; L27-S29 VanDerWaalsContact C-N 3.28Å; L27-N30 WeakPolarHBondContact CA-O 3.32Å; L27-N30 WeakPolarHBondContact CD2-O 3.39Å; L27-C40 HydrophobicContact CD1-CB 4.19Å; L27-C40 HydrophobicContact CD2-CB 3.68Å; L27-A42 HydrophobicContact CB-CB 3.89Å
28L88.8Confident90.6Very high126 Ų12669.6 Ų69.666%0.6635%0.349SS*.Hα-helixtrans-66.6-31169.3-72.9171.4000112.4R24 R25 W26R24-L28 WeakPolarHBondContact O-CG 3.24Å; R24-L28 PolarHBondContact O-N 2.88Å; R24-L28 VanDerWaalsContact O-N 3.12Å; R25-L28 PolarHBondContact O-N 2.96Å; W26-L28 VanDerWaalsContact C-N 3.25Å; W26-L28 PolarHBondContact O-N 2.9Å
29S90Very high90.5Very high83 Ų8372.6 Ų72.658%0.5837%0.372SS*.Hα-helixtrans-99.6-32.8-179.766.90000113.4W26 L27W26-S29 PolarHBondContact O-N 3.11Å; W26-S29 PolarHBondContact O-OG 3.33Å; L27-S29 VanDerWaalsContact C-N 3.28Å
30N91.2Very high90.3Very high69 Ų6969.9 Ų69.937%0.36936%0.36SS..  trans-137.5111.4-171.3-77.4-75.5000110.2W26 L27 Y32W26-N30 HydrophobicContact CZ2-CB 4.28Å; W26-N30 PolarHBondContact O-N 3.06Å; L27-N30 WeakPolarHBondContact CA-O 3.32Å; L27-N30 WeakPolarHBondContact CD2-O 3.39Å; N30-Y32 PolarHBondContact O-N 3.35Å
31P90.2Very high89.8Confident68 Ų6878.6 Ų78.644%0.44239%0.39SS..SBendtrans-76.929.4-175.333.9-37.5000113.7P39 C40P31-P39 CarbonylContact O-C 3.43Å; P31-P39 WeakPolarHBondContact O-CA 3.46Å; P31-C40 CarbonylContact C-O 3.5Å; P31-C40 PolarHBondContact O-N 3.17Å
32Y92.6Very high88.9Confident119 Ų11976.8 Ų76.847%0.46739%0.385SS..BIsolated β-bridgetrans-131.6145.4-174-58.9-73.8000111W26 N30 R37 C38 P39W26-Y32 PolarHBondContact NE1-O 2.98Å; N30-Y32 PolarHBondContact O-N 3.35Å; Y32-R37 VanDerWaalsContact CD1-O 3.24Å; Y32-R37 WeakPolarHBondContact CD1-O 3.35Å; Y32-C38 WeakPolarHBondContact CA-O 3.44Å; Y32-P39 HydrophobicContact CD1-CG 4.42Å; Y32-P39 HydrophobicContact CE1-CG 4.28Å
33C92Very high87.9Confident2 Ų281.6 Ų81.61%0.01441%0.407CS..  trans-57.6133172.5175.20000111.2L12 T35 C36 R37 C38L12-C33 HydrophobicContact CD1-CB 3.91Å; C33-T35 PolarHBondContact O-N 2.97Å; C33-T35 PolarHBondContact SG-N 3.42Å; C33-T35 VanDerWaalsContact SG-N 3.39Å; C33-C36 VanDerWaalsContact SG-SG 3.62Å; C33-R37 WeakPolarHBondContact O-CA 3.41Å; C33-R37 PolarHBondContact O-N 3.49Å; C33-C38 PolarHBondContact N-O 3.36Å
34P92.7Very high87Confident52 Ų5285.3 Ų85.334%0.33843%0.433SS..THydrogen-bonded Turntrans-57.3-32.3175.9-24.331.2000114.4F18 W26F18-P34 HydrophobicContact CD1-CG 4.46Å; F18-P34 HydrophobicContact CE1-CB 4Å; F18-P34 HydrophobicContact CE1-CG 3.82Å; F18-P34 HydrophobicContact CZ-CB 4.16Å; F18-P34 HydrophobicContact CZ-CG 3.9Å; W26-P34 HydrophobicContact CD2-CG 3.98Å; W26-P34 HydrophobicContact CG-CG 3.94Å; W26-P34 HydrophobicContact CZ2-CB 4.36Å; W26-P34 HydrophobicContact CZ2-CG 4.44Å
35T93.6Very high86Confident88 Ų8881.3 Ų81.354%0.5442%0.42SS..THydrogen-bonded Turntrans-88.7-59.8-174-46.80000112.2H16 F18 C33H16-T35 WeakPolarHBondContact NE2-CG2 3.49Å; F18-T35 WeakPolarHBondContact CZ-OG1 3.42Å; C33-T35 PolarHBondContact O-N 2.97Å; C33-T35 PolarHBondContact SG-N 3.42Å; C33-T35 VanDerWaalsContact SG-N 3.39Å
36C95.2Very high85.6Confident51 Ų5178.6 Ų78.635%0.34541%0.412SS..THydrogen-bonded Turntrans-103.8-2.2-174.164.70000114.6C14 H16 C33 C38C14-C36 VanDerWaalsContact SG-SG 3.66Å; H16-C36 VanDerWaalsContact CE1-CB 3.48Å; H16-C36 WeakPolarHBondContact CE1-CB 3.3Å; H16-C36 PolarHBondContact CE1-SG 3.29Å; H16-C36 PolarHBondContact ND1-SG 2.98Å; H16-C36 VanDerWaalsContact ND1-SG 3.41Å; C33-C36 VanDerWaalsContact SG-SG 3.62Å; C36-C38 PolarHBondContact O-N 2.85Å; C36-C38 VanDerWaalsContact O-N 3.1Å; C36-C38 PolarHBondContact SG-SG 2.7Å
37R92.1Very high85.3Confident196 Ų19680 Ų8074%0.7442%0.418SS*.  trans59.416.8-177.4-52.4-178.6178.9-165.2-0115.2Y32 C33Y32-R37 VanDerWaalsContact CD1-O 3.24Å; Y32-R37 WeakPolarHBondContact CD1-O 3.35Å; C33-R37 WeakPolarHBondContact O-CA 3.41Å; C33-R37 PolarHBondContact O-N 3.49Å
38C90.8Very high85Confident58 Ų5886.3 Ų86.339%0.39245%0.445SS..  trans-63.2140.5171.1-69.40000111.1C14 Y32 C33 C36 C40C14-C38 HydrophobicContact CB-CB 3.98Å; Y32-C38 WeakPolarHBondContact CA-O 3.44Å; C33-C38 PolarHBondContact N-O 3.36Å; C36-C38 PolarHBondContact O-N 2.85Å; C36-C38 VanDerWaalsContact O-N 3.1Å; C36-C38 PolarHBondContact SG-SG 2.7Å; C38-C40 PolarHBondContact O-N 2.93Å; C38-C40 PolarHBondContact O-SG 3.22Å
39P89.6Confident84.7Confident103 Ų10382.9 Ų82.967%0.66943%0.427SS*.BIsolated β-bridgetrans-57.7125.4178.3-24.233.1000112.6P31 Y32P31-P39 CarbonylContact O-C 3.43Å; P31-P39 WeakPolarHBondContact O-CA 3.46Å; Y32-P39 HydrophobicContact CD1-CG 4.42Å; Y32-P39 HydrophobicContact CE1-CG 4.28Å
40C84.2Confident83.9Confident3 Ų387.6 Ų87.62%0.0244%0.441CS..  trans-134.6124.2-178.3-66.70000109.8L12 L27 P31 C38 C45L12-C40 HydrophobicContact CD1-CB 4.3Å; L12-C40 HydrophobicContact CD2-CB 4.42Å; L27-C40 HydrophobicContact CD1-CB 4.19Å; L27-C40 HydrophobicContact CD2-CB 3.68Å; P31-C40 CarbonylContact C-O 3.5Å; P31-C40 PolarHBondContact O-N 3.17Å; C38-C40 PolarHBondContact O-N 2.93Å; C38-C40 PolarHBondContact O-SG 3.22Å; C40-C45 HydrophobicContact CB-CB 4.36Å
41R76.4Confident83Confident198 Ų19888.8 Ų88.875%0.74745%0.446SS*.  trans-94130.4174.6-68.7-174.3179.3164.80.3109.8N43 S44 C45R41-N43 PolarHBondContact O-N 3.34Å; R41-S44 PolarHBondContact O-N 2.99Å; R41-S44 VanDerWaalsContact O-N 3.13Å; R41-C45 PolarHBondContact N-SG 3.47Å; R41-C45 PolarHBondContact O-N 2.69Å
42A69.3Low82.1Confident21 Ų2193.9 Ų93.917%0.17446%0.464CS..THydrogen-bonded Turntrans-48.4-36.6-169.700000115.2L27 M46L27-A42 HydrophobicContact CB-CB 3.89Å; A42-M46 VanDerWaalsContact O-SD 3.36Å
43N67.9Low80.9Confident150 Ų15094.4 Ų94.480%0.80247%0.474SS*.THydrogen-bonded Turntrans-109.5-5-175.1-67.1-0.7000114.5R41R41-N43 PolarHBondContact O-N 3.34Å
44S70.7Confident79.7Confident80 Ų80100.2 Ų100.256%0.55951%0.509SS*.THydrogen-bonded Turntrans-119-2-172.4-50.50000113.8K13 R41K13-S44 WeakPolarHBondContact CE-O 3.44Å; K13-S44 PolarHBondContact NZ-O 3.44Å; R41-S44 PolarHBondContact O-N 2.99Å; R41-S44 VanDerWaalsContact O-N 3.13Å
45C67.9Low78.1Confident11 Ų1199.9 Ų99.97%0.07452%0.515CS..SBendtrans-125.310.1-173.2-67.70000114.2L12 K13 C40 R41L12-C45 CarbonylContact C-O 3.59Å; L12-C45 WeakPolarHBondContact CA-O 3.4Å; K13-C45 HydrophobicContact CB-CB 4.5Å; K13-C45 HydrophobicContact CD-CB 4.19Å; K13-C45 VanDerWaalsContact CD-SG 3.54Å; K13-C45 HydrophobicContact CG-CB 3.9Å; K13-C45 PolarHBondContact N-O 3.47Å; K13-C45 VanDerWaalsContact N-O 3.13Å; C40-C45 HydrophobicContact CB-CB 4.36Å; R41-C45 PolarHBondContact N-SG 3.47Å; R41-C45 PolarHBondContact O-N 2.69Å
46M80.6Confident76.1Confident51 Ų51104.7 Ų104.725%0.25153%0.528SS..EExtended strand (participates in β ladder)trans-109121.9-178.4-67.3179.459.100111.2A11 L12 A20 V23 R24 A42A11-M46 CarbonylContact O-C 3.6Å; A11-M46 WeakPolarHBondContact O-CA 3.47Å; L12-M46 HydrophobicContact CD2-CG 3.91Å; A20-M46 HydrophobicContact CB-CE 3.96Å; A20-M46 WeakPolarHBondContact O-CE 3.17Å; V23-M46 HydrophobicContact CG1-CE 3.39Å; V23-M46 HydrophobicContact CG1-CG 4.49Å; V23-M46 HydrophobicContact CG1-SD 3.86Å; R24-M46 HydrophobicContact CB-SD 4.5Å; A42-M46 VanDerWaalsContact O-SD 3.36Å
47Y84.9Confident73.8Confident138 Ų138107.9 Ų107.954%0.54155%0.547SS..EExtended strand (participates in β ladder)trans-103.4115.6171.8-58.7-78.7000109S10 A11 K13 L49S10-Y47 CarbonylContact C-O 3.47Å; S10-Y47 WeakPolarHBondContact CA-O 3.33Å; A11-Y47 PolarHBondContact N-O 2.86Å; A11-Y47 PolarHBondContact O-N 3.17Å; K13-Y47 HydrophobicContact CG-CE2 3.93Å; Y47-L49 PolarHBondContact O-N 3.02Å
48K84.6Confident71.6Confident145 Ų145106 Ų10663%0.6355%0.551SS**EExtended strand (participates in β ladder)trans-68.3123.9176.4-173.4171.5-175.6173.30109.3
49L82.1Confident69.6Low54 Ų54111.2 Ų111.228%0.28357%0.57SS.*  trans-90.2125.9177-59.7177.9000108.7L9 A11 T17 Y47 L51L9-L49 HydrophobicContact CB-CB 4.41Å; L9-L49 HydrophobicContact CB-CD1 4.28Å; L9-L49 PolarHBondContact O-N 2.92Å; A11-L49 HydrophobicContact CB-CD1 4.34Å; A11-L49 HydrophobicContact CB-CD2 4.3Å; A11-L49 HydrophobicContact CB-CG 4.44Å; T17-L49 HydrophobicContact CG2-CD1 3.67Å; Y47-L49 PolarHBondContact O-N 3.02Å; L49-L51 HydrophobicContact CB-CG 4.38Å
50Q74.2Confident67.5Low183 Ų183113.9 Ų113.986%0.85558%0.578SS**  trans-98.799.4169.9-67.8179.7-1.200107
51L71.4Confident65.6Low94 Ų94122.7 Ų122.749%0.49262%0.619SS.*  trans-98118.4176.7-58.7176.9000108.1L9 L49L9-L51 HydrophobicContact CD1-CD1 3.74Å; L49-L51 HydrophobicContact CB-CG 4.38Å
52E71Confident63.9Low175 Ų175120.7 Ų120.782%0.81862%0.623SS**  trans-93.7111.6169.5-173.1169.4-162.400107.7V54E52-V54 HydrophobicContact CG-CG2 4.33Å; E52-V54 PolarHBondContact O-N 3.42Å; E52-V54 VanDerWaalsContact O-N 3.11Å
53I66.9Low63Low129 Ų129125.3 Ų125.366%0.66265%0.654SS**  trans-79.295.6173-56.9175.5000106.2G55I53-G55 PolarHBondContact O-N 2.77Å
54V68.4Low61.8Low124 Ų124127.1 Ų127.175%0.75266%0.657SS**  trans-71.386169.2-174.60000107.2E52E52-V54 HydrophobicContact CG-CG2 4.33Å; E52-V54 PolarHBondContact O-N 3.42Å; E52-V54 VanDerWaalsContact O-N 3.11Å
55G57.7Low60.9Low45 Ų45130 Ų13046%0.46467%0.666SS.*  trans-64.1132.9165.400000108.1I53 T57I53-G55 PolarHBondContact O-N 2.77Å; G55-T57 PolarHBondContact O-N 2.89Å
56K52.8Low60.2Low189 Ų189133.9 Ų133.982%0.82269%0.694SS**  trans-60.398161.3-74.7179.7176.9178.90105.8D58K56-D58 PolarHBondContact O-N 2.85Å; K56-D58 VanDerWaalsContact O-N 3.15Å
57T45.6Very low59.1Low119 Ų119135.5 Ų135.573%0.7371%0.71SS**  trans-68.7107.717038.90000106.7G55 E59G55-T57 PolarHBondContact O-N 2.89Å; T57-E59 VanDerWaalsContact C-N 3.25Å; T57-E59 PolarHBondContact O-N 3.46Å
58D47.5Very low57.8Low156 Ų156132.7 Ų132.783%0.83471%0.707SS**  trans-63.286.3169.8-66.6-44.5000109.2K56K56-D58 PolarHBondContact O-N 2.85Å; K56-D58 VanDerWaalsContact O-N 3.15Å
59E48Very low56.9Low168 Ų168131.3 Ų131.379%0.78571%0.707SS**  trans-111.172.9161-67.8-170.6174.400107.7T57T57-E59 VanDerWaalsContact C-N 3.25Å; T57-E59 PolarHBondContact O-N 3.46Å
60N46Very low56.4Low158 Ų158133.5 Ų133.585%0.84572%0.719SS**  trans17985.7148.6-95.1-20.6000109.1D62N60-D62 VanDerWaalsContact C-N 3.33Å; N60-D62 PolarHBondContact O-N 3.22Å; N60-D62 VanDerWaalsContact O-N 3.12Å
61E43.5Very low56.9Low189 Ų189129 Ų12988%0.88370%0.703SS**  trans-59.9100.8146.7-64.7-168.8147.200106.7
62D41.1Very low57.6Low155 Ų155129.7 Ų129.783%0.82970%0.704SS**  trans162.974.5154.9-82.6-23.2000111.7N60N60-D62 VanDerWaalsContact C-N 3.33Å; N60-D62 PolarHBondContact O-N 3.22Å; N60-D62 VanDerWaalsContact O-N 3.12Å
63S49.5Very low58.4Low118 Ų118127.1 Ų127.183%0.82569%0.691SS**  trans178.998.4145.4-930000111.2
64H44.3Very low59.6Low188 Ų188128.7 Ų128.787%0.8769%0.688SS**THydrogen-bonded Turntrans-55.7132.7170-98.5-87000112.3
65N51.7Low60.7Low140 Ų140129 Ų12975%0.74968%0.682SS**THydrogen-bonded Turntrans103.921.9156.7-64.42.6000121.8
66S52.9Low62.3Low94 Ų94130.7 Ų130.766%0.65768%0.683SS**SBendtrans-117-7.2166.966.40000116.3
67S56.3Low64.3Low84 Ų84123.3 Ų123.359%0.58766%0.657SS**SBendtrans-82.4-11.8-178.4-178.60000114.4
68V59Low66.6Low79 Ų79122.9 Ų122.948%0.47965%0.65SS.*Hα-helixtrans-72.2-36-176.8-176.40000110.6D70 V71 E72V68-D70 PolarHBondContact O-N 3.49Å; V68-V71 PolarHBondContact O-N 3Å; V68-E72 HydrophobicContact CG1-CG 4.24Å; V68-E72 WeakPolarHBondContact O-CG 3.49Å; V68-E72 PolarHBondContact O-N 3.05Å
69D64.1Low68.9Low117 Ų117120.1 Ų120.163%0.62663%0.632SS**Hα-helixtrans-64.9-36.7-178.5-67.1-18.7000112.9F73D69-F73 WeakPolarHBondContact O-CB 3.44Å; D69-F73 PolarHBondContact O-N 3.27Å; D69-F73 VanDerWaalsContact O-N 3.09Å
70D73.2Confident71.1Confident99 Ų99116.7 Ų116.753%0.52962%0.619SS.*Hα-helixtrans-70.2-40178.5-82.1-15.1000111.9V68 W74V68-D70 PolarHBondContact O-N 3.49Å; D70-W74 PolarHBondContact O-N 3.31Å
71V84.8Confident73.5Confident88 Ų88113.8 Ų113.853%0.53360%0.6SS.*Hα-helixtrans-70.8-43.5-179.8178.10000110.6V68 F73 W74 Q75V68-V71 PolarHBondContact O-N 3Å; V71-F73 VanDerWaalsContact C-N 3.31Å; V71-F73 PolarHBondContact O-N 3.21Å; V71-W74 PolarHBondContact O-N 3.09Å; V71-Q75 VanDerWaalsContact O-CB 3.26Å; V71-Q75 WeakPolarHBondContact O-CB 3.43Å; V71-Q75 PolarHBondContact O-N 2.94Å
72E85.6Confident76Confident109 Ų109107 Ų10751%0.50957%0.574SS.*Hα-helixtrans-62.7-37.7176.6-73.9-173.7-177.700112V68 T76V68-E72 HydrophobicContact CG1-CG 4.24Å; V68-E72 WeakPolarHBondContact O-CG 3.49Å; V68-E72 PolarHBondContact O-N 3.05Å; E72-T76 WeakPolarHBondContact O-CB 3.38Å; E72-T76 PolarHBondContact O-N 3.37Å; E72-T76 PolarHBondContact O-OG1 2.88Å
73F88.1Confident78.6Confident122 Ų122103 Ų10354%0.53555%0.553SS.*Hα-helixtrans-59.8-53.3173.6173-96.1000111.8D69 V71 Q75 T76 A77D69-F73 WeakPolarHBondContact O-CB 3.44Å; D69-F73 PolarHBondContact O-N 3.27Å; D69-F73 VanDerWaalsContact O-N 3.09Å; V71-F73 VanDerWaalsContact C-N 3.31Å; V71-F73 PolarHBondContact O-N 3.21Å; F73-Q75 VanDerWaalsContact C-N 3.35Å; F73-Q75 PolarHBondContact O-N 3.26Å; F73-T76 PolarHBondContact O-N 3.19Å; F73-A77 WeakPolarHBondContact O-CB 3.36Å; F73-A77 PolarHBondContact O-N 3.02Å
74W91.7Very high80.9Confident162 Ų162104.1 Ų104.161%0.61455%0.545SS*.Hα-helixtrans-67.1-35.9-179.4-72.1115.9000112.4D70 V71 T76 A77 L78D70-W74 PolarHBondContact O-N 3.31Å; V71-W74 PolarHBondContact O-N 3.09Å; W74-T76 VanDerWaalsContact C-N 3.35Å; W74-A77 HydrophobicContact CE3-CB 4.46Å; W74-A77 PolarHBondContact O-N 3.39Å; W74-L78 WeakPolarHBondContact O-CB 3.49Å; W74-L78 VanDerWaalsContact O-CG 3.3Å; W74-L78 WeakPolarHBondContact O-CG 3.27Å; W74-L78 PolarHBondContact O-N 3.05Å
75Q91.5Very high83.4Confident130 Ų130100.8 Ų100.861%0.60753%0.528SS*.Hα-helixtrans-62.9-43.5174.5-174.4173.4-2.700111.2V71 F73 Q79V71-Q75 VanDerWaalsContact O-CB 3.26Å; V71-Q75 WeakPolarHBondContact O-CB 3.43Å; V71-Q75 PolarHBondContact O-N 2.94Å; F73-Q75 VanDerWaalsContact C-N 3.35Å; F73-Q75 PolarHBondContact O-N 3.26Å; Q75-Q79 VanDerWaalsContact O-CB 3.24Å; Q75-Q79 WeakPolarHBondContact O-CB 3.45Å; Q75-Q79 PolarHBondContact O-N 3.09Å
76T91.7Very high85.5Confident80 Ų8099.8 Ų99.849%0.49152%0.519SS..Hα-helixtrans-66.7-41.3175.9-56.10000111.6E72 F73 W74 Q79 N80E72-T76 WeakPolarHBondContact O-CB 3.38Å; E72-T76 PolarHBondContact O-N 3.37Å; E72-T76 PolarHBondContact O-OG1 2.88Å; F73-T76 PolarHBondContact O-N 3.19Å; W74-T76 VanDerWaalsContact C-N 3.35Å; T76-Q79 PolarHBondContact O-N 3.49Å; T76-N80 WeakPolarHBondContact O-CB 3.43Å; T76-N80 PolarHBondContact O-N 2.8Å; T76-N80 PolarHBondContact O-ND2 3.37Å
77A93.5Very high87.7Confident34 Ų3498.6 Ų98.628%0.28151%0.514SS..Hα-helixtrans-62.6-47.8177.200000112F73 W74 Q79 N80 E81F73-A77 WeakPolarHBondContact O-CB 3.36Å; F73-A77 PolarHBondContact O-N 3.02Å; W74-A77 HydrophobicContact CE3-CB 4.46Å; W74-A77 PolarHBondContact O-N 3.39Å; A77-Q79 VanDerWaalsContact C-N 3.33Å; A77-Q79 PolarHBondContact O-N 2.9Å; A77-N80 PolarHBondContact O-N 3.45Å; A77-E81 PolarHBondContact O-N 2.94Å
78L94.3Very high89.7Confident111 Ų11199.3 Ų99.358%0.58151%0.507SS*.Hα-helixtrans-63.8-38.3175.6-73.4171.6000111.8W74 E81 S82W74-L78 WeakPolarHBondContact O-CB 3.49Å; W74-L78 VanDerWaalsContact O-CG 3.3Å; W74-L78 WeakPolarHBondContact O-CG 3.27Å; W74-L78 PolarHBondContact O-N 3.05Å; L78-E81 PolarHBondContact O-N 3.37Å; L78-S82 WeakPolarHBondContact O-CB 3.41Å; L78-S82 PolarHBondContact O-N 3.46Å
79Q95.3Very high91.5Very high98 Ų98100 Ų10046%0.45851%0.507SS..Hα-helixtrans-64.9-41.5175.7-172.662.845.900111.4Q75 T76 A77 S82 N83Q75-Q79 VanDerWaalsContact O-CB 3.24Å; Q75-Q79 WeakPolarHBondContact O-CB 3.45Å; Q75-Q79 PolarHBondContact O-N 3.09Å; T76-Q79 PolarHBondContact O-N 3.49Å; A77-Q79 VanDerWaalsContact C-N 3.33Å; A77-Q79 PolarHBondContact O-N 2.9Å; Q79-S82 WeakPolarHBondContact O-CB 3.4Å; Q79-S82 PolarHBondContact O-N 3.36Å; Q79-N83 PolarHBondContact NE2-OD1 3.21Å; Q79-N83 WeakPolarHBondContact O-CB 3.45Å; Q79-N83 PolarHBondContact O-N 2.76Å; Q79-N83 PolarHBondContact O-ND2 3.42Å; Q79-N83 PolarHBondContact O-OD1 3.31Å
80N94.7Very high93.1Very high95 Ų9596 Ų9651%0.50849%0.494SS..Hα-helixtrans-64.3-43176.4-71.3-21.7000111.7T76 A77 N83 E84T76-N80 WeakPolarHBondContact O-CB 3.43Å; T76-N80 PolarHBondContact O-N 2.8Å; T76-N80 PolarHBondContact O-ND2 3.37Å; A77-N80 PolarHBondContact O-N 3.45Å; N80-N83 PolarHBondContact O-N 2.85Å; N80-E84 WeakPolarHBondContact O-CB 3.2Å; N80-E84 PolarHBondContact O-N 2.86Å
81E96Very high94.3Very high97 Ų9796.3 Ų96.345%0.45349%0.492SS..Hα-helixtrans-64.1-41175.9-162.3-176.4178.900111.2A77 L78 E84 F85A77-E81 PolarHBondContact O-N 2.94Å; L78-E81 PolarHBondContact O-N 3.37Å; E81-E84 PolarHBondContact O-N 3.26Å; E81-F85 HydrophobicContact CG-CD2 4.08Å; E81-F85 HydrophobicContact CG-CE2 3.5Å; E81-F85 VanDerWaalsContact CG-CE2 3.5Å; E81-F85 HydrophobicContact CG-CZ 4.07Å; E81-F85 WeakPolarHBondContact O-CD2 3.5Å; E81-F85 PolarHBondContact O-N 3.21Å
82S95.7Very high94.9Very high48 Ų4896 Ų9634%0.33649%0.487SS..Hα-helixtrans-59.5-46.9172.5-167.80000111.6L78 Q79 E84 F85 E86L78-S82 WeakPolarHBondContact O-CB 3.41Å; L78-S82 PolarHBondContact O-N 3.46Å; Q79-S82 WeakPolarHBondContact O-CB 3.4Å; Q79-S82 PolarHBondContact O-N 3.36Å; S82-E84 VanDerWaalsContact C-N 3.31Å; S82-E84 PolarHBondContact O-N 3.35Å; S82-F85 PolarHBondContact O-N 3.39Å; S82-E86 WeakPolarHBondContact O-CB 3.17Å; S82-E86 WeakPolarHBondContact O-CG 3.37Å; S82-E86 PolarHBondContact O-N 2.83Å
83N96.7Very high95.5Very high71 Ų7196.9 Ų96.938%0.3849%0.491SS..Hα-helixtrans-63.6-37.1178-64.7-16.3000111.7Q79 N80 E86 A87Q79-N83 PolarHBondContact NE2-OD1 3.21Å; Q79-N83 WeakPolarHBondContact O-CB 3.45Å; Q79-N83 PolarHBondContact O-N 2.76Å; Q79-N83 PolarHBondContact O-ND2 3.42Å; Q79-N83 PolarHBondContact O-OD1 3.31Å; N80-N83 PolarHBondContact O-N 2.85Å; N83-E86 PolarHBondContact O-N 2.65Å; N83-A87 WeakPolarHBondContact O-CB 3.42Å; N83-A87 PolarHBondContact O-N 2.87Å
84E97.5Very high95.9Very high141 Ų14193.6 Ų93.666%0.65948%0.483SS*.Hα-helixtrans-65.6-44.7176-174.5177.6171.900111.5N80 E81 S82 A87 K88N80-E84 WeakPolarHBondContact O-CB 3.2Å; N80-E84 PolarHBondContact O-N 2.86Å; E81-E84 PolarHBondContact O-N 3.26Å; S82-E84 VanDerWaalsContact C-N 3.31Å; S82-E84 PolarHBondContact O-N 3.35Å; E84-A87 PolarHBondContact O-N 3.35Å; E84-K88 PolarHBondContact O-N 3.07Å
85F96.4Very high96.2Very high118 Ų11890.5 Ų90.552%0.51848%0.476SS..Hα-helixtrans-64.8-41.4174.8-69.8-48000112.2E81 S82 A87 K88 I89E81-F85 HydrophobicContact CG-CD2 4.08Å; E81-F85 HydrophobicContact CG-CE2 3.5Å; E81-F85 VanDerWaalsContact CG-CE2 3.5Å; E81-F85 HydrophobicContact CG-CZ 4.07Å; E81-F85 WeakPolarHBondContact O-CD2 3.5Å; E81-F85 PolarHBondContact O-N 3.21Å; S82-F85 PolarHBondContact O-N 3.39Å; F85-A87 VanDerWaalsContact C-N 3.34Å; F85-A87 PolarHBondContact O-N 3.19Å; F85-K88 PolarHBondContact O-N 3.37Å; F85-I89 WeakPolarHBondContact O-CB 3.49Å; F85-I89 VanDerWaalsContact O-CG1 3.24Å; F85-I89 WeakPolarHBondContact O-CG1 3.46Å; F85-I89 PolarHBondContact O-N 2.93Å
86E97.5Very high96.5Very high119 Ų11987.9 Ų87.956%0.55647%0.468SS*.Hα-helixtrans-60.1-43.2174.3-76.7177.2-162.800111.6S82 N83 K88 I89 G90S82-E86 WeakPolarHBondContact O-CB 3.17Å; S82-E86 WeakPolarHBondContact O-CG 3.37Å; S82-E86 PolarHBondContact O-N 2.83Å; N83-E86 PolarHBondContact O-N 2.65Å; E86-K88 PolarHBondContact O-N 2.87Å; E86-I89 PolarHBondContact O-N 3.4Å; E86-G90 PolarHBondContact O-N 3.17Å
87A97.6Very high96.8Very high68 Ų6891.3 Ų91.356%0.56248%0.477SS*.Hα-helixtrans-62.2-42.4174.800000111.8N83 E84 F85 G90 E91N83-A87 WeakPolarHBondContact O-CB 3.42Å; N83-A87 PolarHBondContact O-N 2.87Å; E84-A87 PolarHBondContact O-N 3.35Å; F85-A87 VanDerWaalsContact C-N 3.34Å; F85-A87 PolarHBondContact O-N 3.19Å; A87-G90 PolarHBondContact O-N 3.26Å; A87-E91 PolarHBondContact O-N 2.95Å
88K97.8Very high97.1Very high100 Ų10096 Ų9644%0.43549%0.491SS..Hα-helixtrans-68.3-38.7178.9-170.866.6-166.4169.40112.7E84 F85 E86 E91 L92E84-K88 PolarHBondContact O-N 3.07Å; F85-K88 PolarHBondContact O-N 3.37Å; E86-K88 PolarHBondContact O-N 2.87Å; K88-E91 WeakPolarHBondContact CD-OE2 3.21Å; K88-E91 IonicContact NZ-OE1 3.62Å; K88-E91 IonicContact NZ-OE2 3.45Å; K88-E91 PolarHBondContact NZ-OE2 3.48Å; K88-E91 PolarHBondContact O-N 3.14Å; K88-L92 HydrophobicContact CG-CD1 4.26Å; K88-L92 WeakPolarHBondContact O-CG 3.25Å; K88-L92 PolarHBondContact O-N 2.98Å
89I97.5Very high97.2Very high92 Ų9295.2 Ų95.247%0.47249%0.487SS..Hα-helixtrans-60.6-48.8173.3-71.6165.6000109.3F85 E86 E91 L92 E93F85-I89 WeakPolarHBondContact O-CB 3.49Å; F85-I89 VanDerWaalsContact O-CG1 3.24Å; F85-I89 WeakPolarHBondContact O-CG1 3.46Å; F85-I89 PolarHBondContact O-N 2.93Å; E86-I89 PolarHBondContact O-N 3.4Å; I89-E91 VanDerWaalsContact C-N 3.3Å; I89-E91 PolarHBondContact O-N 3.43Å; I89-L92 PolarHBondContact O-N 3.02Å; I89-E93 HydrophobicContact CG2-CG 4.2Å; I89-E93 WeakPolarHBondContact O-CB 3.07Å; I89-E93 VanDerWaalsContact O-CG 3.3Å; I89-E93 WeakPolarHBondContact O-CG 3.42Å; I89-E93 PolarHBondContact O-N 3.39Å
90G97.9Very high97.3Very high35 Ų3596.2 Ų96.236%0.36149%0.491SS..Hα-helixtrans-59-39177.100000113.4E86 A87 S94E86-G90 PolarHBondContact O-N 3.17Å; A87-G90 PolarHBondContact O-N 3.26Å; G90-S94 WeakPolarHBondContact O-CB 3.48Å; G90-S94 PolarHBondContact O-N 3.41Å
91E98Very high97.5Very high105 Ų10598.9 Ų98.949%0.49150%0.498SS..Hα-helixtrans-62.5-51.4174.5-171-173-171.400111.6A87 K88 I89 E93 S94 E95A87-E91 PolarHBondContact O-N 2.95Å; K88-E91 WeakPolarHBondContact CD-OE2 3.21Å; K88-E91 IonicContact NZ-OE1 3.62Å; K88-E91 IonicContact NZ-OE2 3.45Å; K88-E91 PolarHBondContact NZ-OE2 3.48Å; K88-E91 PolarHBondContact O-N 3.14Å; I89-E91 VanDerWaalsContact C-N 3.3Å; I89-E91 PolarHBondContact O-N 3.43Å; E91-E93 PolarHBondContact O-N 2.92Å; E91-S94 WeakPolarHBondContact O-CB 3.49Å; E91-S94 PolarHBondContact O-N 3.33Å; E91-S94 VanDerWaalsContact O-N 3.17Å; E91-S94 PolarHBondContact O-OG 3.43Å; E91-E95 PolarHBondContact O-N 3.05Å
92L97.5Very high97.6Very high81 Ų81100 Ų10042%0.42450%0.503SS..Hα-helixtrans-64.9-36.9-179.2-71.7172.2000112.5K88 I89 S94 E95 T96K88-L92 HydrophobicContact CG-CD1 4.26Å; K88-L92 WeakPolarHBondContact O-CG 3.25Å; K88-L92 PolarHBondContact O-N 2.98Å; I89-L92 PolarHBondContact O-N 3.02Å; L92-S94 VanDerWaalsContact C-N 3.34Å; L92-E95 PolarHBondContact O-N 3.13Å; L92-T96 WeakPolarHBondContact O-CB 3.41Å; L92-T96 PolarHBondContact O-N 3.24Å; L92-T96 PolarHBondContact O-OG1 3.48Å
93E98.2Very high97.7Very high128 Ų128103.3 Ų103.360%0.59852%0.517SS*.Hα-helixtrans-63.4-41.5173.3-74.9179.8168.300111.2I89 E91 E95 T96 K97I89-E93 HydrophobicContact CG2-CG 4.2Å; I89-E93 WeakPolarHBondContact O-CB 3.07Å; I89-E93 VanDerWaalsContact O-CG 3.3Å; I89-E93 WeakPolarHBondContact O-CG 3.42Å; I89-E93 PolarHBondContact O-N 3.39Å; E91-E93 PolarHBondContact O-N 2.92Å; E93-E95 VanDerWaalsContact C-N 3.33Å; E93-E95 PolarHBondContact O-N 2.84Å; E93-T96 PolarHBondContact O-N 3.24Å; E93-K97 WeakPolarHBondContact O-CB 3.33Å; E93-K97 PolarHBondContact O-N 3.45Å
94S97.5Very high97.7Very high52 Ų52103.2 Ų103.236%0.36452%0.522SS..Hα-helixtrans-64.4-37.717687.10000112.4G90 E91 L92 K98G90-S94 WeakPolarHBondContact O-CB 3.48Å; G90-S94 PolarHBondContact O-N 3.41Å; E91-S94 WeakPolarHBondContact O-CB 3.49Å; E91-S94 PolarHBondContact O-N 3.33Å; E91-S94 VanDerWaalsContact O-N 3.17Å; E91-S94 PolarHBondContact O-OG 3.43Å; L92-S94 VanDerWaalsContact C-N 3.34Å; S94-K98 VanDerWaalsContact O-CG 3.32Å; S94-K98 WeakPolarHBondContact O-CG 3.5Å; S94-K98 PolarHBondContact O-N 3.41Å; S94-K98 VanDerWaalsContact O-N 3.17Å
95E98.3Very high97.7Very high98 Ų98101.6 Ų101.646%0.45851%0.514SS..Hα-helixtrans-68.8-45.3176.9-173.5174.5-168.200111.2E91 L92 E93 K97 K98 L99E91-E95 PolarHBondContact O-N 3.05Å; L92-E95 PolarHBondContact O-N 3.13Å; E93-E95 VanDerWaalsContact C-N 3.33Å; E93-E95 PolarHBondContact O-N 2.84Å; E95-K97 VanDerWaalsContact C-N 3.31Å; E95-K97 PolarHBondContact O-N 3.04Å; E95-K98 WeakPolarHBondContact O-CB 3.29Å; E95-K98 PolarHBondContact O-N 3.42Å; E95-K98 VanDerWaalsContact O-N 3.09Å; E95-L99 HydrophobicContact CG-CD1 4.3Å; E95-L99 WeakPolarHBondContact O-CG 3.5Å; E95-L99 PolarHBondContact O-N 2.91Å
96T97.5Very high97.8Very high74 Ų74101 Ų10145%0.45452%0.515SS..Hα-helixtrans-57-46.2176.3-55.90000110.6L92 E93 K98 L99 E100L92-T96 WeakPolarHBondContact O-CB 3.41Å; L92-T96 PolarHBondContact O-N 3.24Å; L92-T96 PolarHBondContact O-OG1 3.48Å; E93-T96 PolarHBondContact O-N 3.24Å; T96-K98 VanDerWaalsContact C-N 3.34Å; T96-K98 PolarHBondContact O-N 3.26Å; T96-L99 PolarHBondContact O-N 3.33Å; T96-E100 WeakPolarHBondContact O-CG 3.44Å; T96-E100 PolarHBondContact O-N 3.5Å
97K98.1Very high97.8Very high153 Ų15397.7 Ų97.767%0.66551%0.508SS*.Hα-helixtrans-61.9-37.2176.7-172.9176.4-178.2176.40113.2E93 E95 K101E93-K97 WeakPolarHBondContact O-CB 3.33Å; E93-K97 PolarHBondContact O-N 3.45Å; E95-K97 VanDerWaalsContact C-N 3.31Å; E95-K97 PolarHBondContact O-N 3.04Å; K97-K101 PolarHBondContact O-N 3.41Å
98K98.1Very high97.8Very high132 Ų13297.6 Ų97.657%0.57450%0.501SS*.Hα-helixtrans-66-45.6175-71.9166.9-174.5168.30110.9S94 E95 T96 K101 H102S94-K98 VanDerWaalsContact O-CG 3.32Å; S94-K98 WeakPolarHBondContact O-CG 3.5Å; S94-K98 PolarHBondContact O-N 3.41Å; S94-K98 VanDerWaalsContact O-N 3.17Å; E95-K98 WeakPolarHBondContact O-CB 3.29Å; E95-K98 PolarHBondContact O-N 3.42Å; E95-K98 VanDerWaalsContact O-N 3.09Å; T96-K98 VanDerWaalsContact C-N 3.34Å; T96-K98 PolarHBondContact O-N 3.26Å; K98-K101 WeakPolarHBondContact O-CB 3.15Å; K98-K101 PolarHBondContact O-N 3Å; K98-H102 PolarHBondContact O-CD2 3.28Å; K98-H102 VanDerWaalsContact O-CD2 3.31Å; K98-H102 PolarHBondContact O-N 3.21Å
99L97.7Very high97.8Very high95 Ų9596.1 Ų96.150%0.49750%0.498SS..Hα-helixtrans-63.8-41.5178.3-70.9173.1000112.1E95 T96 K101 H102 L103E95-L99 HydrophobicContact CG-CD1 4.3Å; E95-L99 WeakPolarHBondContact O-CG 3.5Å; E95-L99 PolarHBondContact O-N 2.91Å; T96-L99 PolarHBondContact O-N 3.33Å; L99-K101 VanDerWaalsContact C-N 3.31Å; L99-K101 PolarHBondContact O-N 3.48Å; L99-H102 PolarHBondContact O-N 3.47Å; L99-L103 WeakPolarHBondContact O-CG 3.33Å; L99-L103 PolarHBondContact O-N 3.45Å
100E98.1Very high97.8Very high118 Ų11896.3 Ų96.355%0.55150%0.499SS*.Hα-helixtrans-58.5-42.7173.7-74.9176.2166.500111.9T96 L103 S104T96-E100 WeakPolarHBondContact O-CG 3.44Å; T96-E100 PolarHBondContact O-N 3.5Å; E100-L103 PolarHBondContact O-N 2.96Å; E100-S104 WeakPolarHBondContact O-CB 3.23Å; E100-S104 PolarHBondContact O-N 2.7Å
101K98Very high97.8Very high152 Ų152100.7 Ų100.766%0.66151%0.508SS*.Hα-helixtrans-62.5-43.8175.1-173.8-177.9178.4-176.50111.3K97 K98 L99 S104 Q105K97-K101 PolarHBondContact O-N 3.41Å; K98-K101 WeakPolarHBondContact O-CB 3.15Å; K98-K101 PolarHBondContact O-N 3Å; L99-K101 VanDerWaalsContact C-N 3.31Å; L99-K101 PolarHBondContact O-N 3.48Å; K101-S104 PolarHBondContact O-N 3.09Å; K101-S104 PolarHBondContact O-OG 3.49Å; K101-Q105 PolarHBondContact O-N 2.87Å
102H98Very high97.8Very high119 Ų119100.6 Ų100.655%0.55151%0.511SS*.Hα-helixtrans-63.2-43.3177-71.8-165.4000112.1K98 L99 S104 Q105 I106K98-H102 PolarHBondContact O-CD2 3.28Å; K98-H102 VanDerWaalsContact O-CD2 3.31Å; K98-H102 PolarHBondContact O-N 3.21Å; L99-H102 PolarHBondContact O-N 3.47Å; H102-S104 VanDerWaalsContact C-N 3.28Å; H102-S104 PolarHBondContact O-N 3.12Å; H102-Q105 PolarHBondContact O-N 2.75Å; H102-I106 WeakPolarHBondContact O-CG1 3.41Å; H102-I106 PolarHBondContact O-N 3.32Å
103L97.7Very high97.8Very high118 Ų118100.6 Ų100.662%0.61852%0.517SS*.Hα-helixtrans-61.2-38175-74175.4000111.8L99 E100 Q105 I106 A107L99-L103 WeakPolarHBondContact O-CG 3.33Å; L99-L103 PolarHBondContact O-N 3.45Å; E100-L103 PolarHBondContact O-N 2.96Å; L103-Q105 VanDerWaalsContact C-N 3.35Å; L103-I106 PolarHBondContact O-N 3.42Å; L103-A107 WeakPolarHBondContact O-CB 3.24Å; L103-A107 PolarHBondContact O-N 3.5Å
104S97.1Very high97.7Very high70 Ų7099.1 Ų99.149%0.4951%0.51SS..Hα-helixtrans-63.6-40.317680.80000112.1E100 K101 H102 A107 T108E100-S104 WeakPolarHBondContact O-CB 3.23Å; E100-S104 PolarHBondContact O-N 2.7Å; K101-S104 PolarHBondContact O-N 3.09Å; K101-S104 PolarHBondContact O-OG 3.49Å; H102-S104 VanDerWaalsContact C-N 3.28Å; H102-S104 PolarHBondContact O-N 3.12Å; S104-A107 PolarHBondContact O-N 3.06Å; S104-T108 PolarHBondContact O-N 2.93Å; S104-T108 VanDerWaalsContact O-N 3.12Å; S104-T108 PolarHBondContact O-OG1 2.9Å
105Q97.8Very high97.7Very high106 Ų106104.6 Ų104.650%0.49552%0.522SS..Hα-helixtrans-68.3-46.3176.8-174.261.453.300111.8K101 H102 L103 A107 T108 D109K101-Q105 PolarHBondContact O-N 2.87Å; H102-Q105 PolarHBondContact O-N 2.75Å; L103-Q105 VanDerWaalsContact C-N 3.35Å; Q105-A107 PolarHBondContact O-N 3.11Å; Q105-T108 WeakPolarHBondContact CA-OG1 3.44Å; Q105-T108 PolarHBondContact NE2-OG1 2.79Å; Q105-T108 PolarHBondContact O-N 2.7Å; Q105-T108 VanDerWaalsContact O-N 3.09Å; Q105-T108 PolarHBondContact O-OG1 2.85Å; Q105-D109 PolarHBondContact NE2-OD1 2.81Å; Q105-D109 PolarHBondContact O-N 3.1Å
106I97.8Very high97.6Very high105 Ų105102.5 Ų102.554%0.53852%0.522SS..Hα-helixtrans-60.5-38.9176.9-68.2167.6000110.4H102 L103 T108 D109 L110H102-I106 WeakPolarHBondContact O-CG1 3.41Å; H102-I106 PolarHBondContact O-N 3.32Å; L103-I106 PolarHBondContact O-N 3.42Å; I106-T108 VanDerWaalsContact C-N 3.34Å; I106-T108 PolarHBondContact O-N 2.75Å; I106-D109 PolarHBondContact O-N 3.26Å; I106-L110 VanDerWaalsContact O-CB 3.29Å; I106-L110 WeakPolarHBondContact O-CB 3.37Å; I106-L110 PolarHBondContact O-N 3.07Å
107A97.8Very high97.6Very high50 Ų50103.4 Ų103.441%0.41353%0.527SS..Hα-helixtrans-64.6-36.7176.400000112.5L103 S104 Q105 K111L103-A107 WeakPolarHBondContact O-CB 3.24Å; L103-A107 PolarHBondContact O-N 3.5Å; S104-A107 PolarHBondContact O-N 3.06Å; Q105-A107 PolarHBondContact O-N 3.11Å; A107-K111 WeakPolarHBondContact O-CG 3.29Å; A107-K111 PolarHBondContact O-N 3.49Å
108T97.8Very high97.6Very high67 Ų67103 Ų10341%0.41153%0.525SS..Hα-helixtrans-68.9-42.5173.2510000112.1S104 Q105 I106 L110 K111 L112S104-T108 PolarHBondContact O-N 2.93Å; S104-T108 VanDerWaalsContact O-N 3.12Å; S104-T108 PolarHBondContact O-OG1 2.9Å; Q105-T108 WeakPolarHBondContact CA-OG1 3.44Å; Q105-T108 PolarHBondContact NE2-OG1 2.79Å; Q105-T108 PolarHBondContact O-N 2.7Å; Q105-T108 VanDerWaalsContact O-N 3.09Å; Q105-T108 PolarHBondContact O-OG1 2.85Å; I106-T108 VanDerWaalsContact C-N 3.34Å; I106-T108 PolarHBondContact O-N 2.75Å; T108-L110 VanDerWaalsContact C-N 3.35Å; T108-L110 PolarHBondContact O-N 2.95Å; T108-K111 WeakPolarHBondContact O-CB 3.43Å; T108-K111 PolarHBondContact O-N 2.83Å; T108-L112 PolarHBondContact O-N 3.13Å; T108-L112 VanDerWaalsContact O-N 3.08Å
109D98.1Very high97.6Very high68 Ų68100.7 Ų100.736%0.36452%0.519SS..Hα-helixtrans-65.2-40.4179.8-62.9-12.4000111Q105 I106 K111 L112 C113Q105-D109 PolarHBondContact NE2-OD1 2.81Å; Q105-D109 PolarHBondContact O-N 3.1Å; I106-D109 PolarHBondContact O-N 3.26Å; D109-K111 VanDerWaalsContact C-N 3.31Å; D109-K111 PolarHBondContact O-N 3.24Å; D109-L112 WeakPolarHBondContact O-CB 3.47Å; D109-L112 PolarHBondContact O-N 3.02Å; D109-L112 VanDerWaalsContact O-N 3.12Å; D109-C113 PolarHBondContact O-N 3.3Å; D109-C113 PolarHBondContact O-SG 2.9Å; D109-C113 VanDerWaalsContact O-SG 3.4Å
110L97.8Very high97.5Very high96 Ų9699.9 Ų99.950%0.50352%0.518SS..Hα-helixtrans-61.2-39.5175.7-173.7140.1000111.8I106 T108 C113 Q114I106-L110 VanDerWaalsContact O-CB 3.29Å; I106-L110 WeakPolarHBondContact O-CB 3.37Å; I106-L110 PolarHBondContact O-N 3.07Å; T108-L110 VanDerWaalsContact C-N 3.35Å; T108-L110 PolarHBondContact O-N 2.95Å; L110-C113 PolarHBondContact O-N 2.99Å; L110-Q114 HydrophobicContact CD2-CG 4.34Å; L110-Q114 VanDerWaalsContact CD2-NE2 3.32Å; L110-Q114 WeakPolarHBondContact O-CB 3.39Å; L110-Q114 VanDerWaalsContact O-CG 3.27Å; L110-Q114 WeakPolarHBondContact O-CG 3.42Å; L110-Q114 PolarHBondContact O-N 3.31Å
111K97.5Very high97.5Very high127 Ų12796.6 Ų96.655%0.55251%0.508SS*.Hα-helixtrans-64.7-38.7173.8-72.7174-178177.90112.1A107 T108 D109 R115A107-K111 WeakPolarHBondContact O-CG 3.29Å; A107-K111 PolarHBondContact O-N 3.49Å; T108-K111 WeakPolarHBondContact O-CB 3.43Å; T108-K111 PolarHBondContact O-N 2.83Å; D109-K111 VanDerWaalsContact C-N 3.31Å; D109-K111 PolarHBondContact O-N 3.24Å; K111-R115 WeakPolarHBondContact O-CG 3.27Å; K111-R115 PolarHBondContact O-N 3.44Å
112L97.2Very high97.5Very high104 Ų10494.8 Ų94.855%0.54550%0.5SS..Hα-helixtrans-66.2-46.7175.8-69174.8000111.2T108 D109 Q114 R115 A116T108-L112 PolarHBondContact O-N 3.13Å; T108-L112 VanDerWaalsContact O-N 3.08Å; D109-L112 WeakPolarHBondContact O-CB 3.47Å; D109-L112 PolarHBondContact O-N 3.02Å; D109-L112 VanDerWaalsContact O-N 3.12Å; L112-Q114 VanDerWaalsContact C-N 3.32Å; L112-Q114 PolarHBondContact O-N 3.35Å; L112-R115 PolarHBondContact O-N 3.3Å; L112-R115 VanDerWaalsContact O-N 3.15Å; L112-A116 PolarHBondContact O-N 3.21Å
113C97Very high97.4Very high81 Ų8193.7 Ų93.755%0.54750%0.502SS..Hα-helixtrans-59.5-41.4175.8-71.70000112D109 L110 R115 A116 V117D109-C113 PolarHBondContact O-N 3.3Å; D109-C113 PolarHBondContact O-SG 2.9Å; D109-C113 VanDerWaalsContact O-SG 3.4Å; L110-C113 PolarHBondContact O-N 2.99Å; C113-R115 VanDerWaalsContact C-N 3.33Å; C113-R115 PolarHBondContact O-N 3.04Å; C113-A116 PolarHBondContact O-N 3.3Å; C113-V117 WeakPolarHBondContact O-CG2 3.41Å; C113-V117 PolarHBondContact O-N 3.45Å
114Q97.6Very high97.4Very high97 Ų9793.8 Ų93.845%0.45350%0.499SS..Hα-helixtrans-59.9-40.8175.2-78.4176-10.500112.7L110 L112 K118L110-Q114 HydrophobicContact CD2-CG 4.34Å; L110-Q114 VanDerWaalsContact CD2-NE2 3.32Å; L110-Q114 WeakPolarHBondContact O-CB 3.39Å; L110-Q114 VanDerWaalsContact O-CG 3.27Å; L110-Q114 WeakPolarHBondContact O-CG 3.42Å; L110-Q114 PolarHBondContact O-N 3.31Å; L112-Q114 VanDerWaalsContact C-N 3.32Å; L112-Q114 PolarHBondContact O-N 3.35Å; Q114-K118 WeakPolarHBondContact O-CG 3.47Å; Q114-K118 PolarHBondContact O-N 3.27Å
115R97Very high97.5Very high167 Ų16798.8 Ų98.863%0.6351%0.507SS*.Hα-helixtrans-65.3-46.6174.9-69174.4-176.1179.80.2111.1K111 L112 C113 V117 K118 D119K111-R115 WeakPolarHBondContact O-CG 3.27Å; K111-R115 PolarHBondContact O-N 3.44Å; L112-R115 PolarHBondContact O-N 3.3Å; L112-R115 VanDerWaalsContact O-N 3.15Å; C113-R115 VanDerWaalsContact C-N 3.33Å; C113-R115 PolarHBondContact O-N 3.04Å; R115-V117 VanDerWaalsContact C-N 3.32Å; R115-V117 PolarHBondContact O-N 2.95Å; R115-K118 WeakPolarHBondContact O-CB 3.46Å; R115-K118 PolarHBondContact O-N 3.12Å; R115-K118 VanDerWaalsContact O-N 3.12Å; R115-D119 PolarHBondContact O-N 3.08Å
116A97.1Very high97.4Very high54 Ų5496.2 Ų96.245%0.44650%0.504SS..Hα-helixtrans-58.5-4217800000112.2L112 C113 K118 D119 V120L112-A116 PolarHBondContact O-N 3.21Å; C113-A116 PolarHBondContact O-N 3.3Å; A116-K118 PolarHBondContact O-N 3.39Å; A116-D119 PolarHBondContact O-N 3.47Å; A116-V120 WeakPolarHBondContact O-CG2 3.42Å; A116-V120 PolarHBondContact O-N 3.4Å
117V97.4Very high97.4Very high93 Ų9394.9 Ų94.956%0.56450%0.498SS*.Hα-helixtrans-60.6-45.7175.2170.70000111.1C113 R115 D119 V120 S121C113-V117 WeakPolarHBondContact O-CG2 3.41Å; C113-V117 PolarHBondContact O-N 3.45Å; R115-V117 VanDerWaalsContact C-N 3.32Å; R115-V117 PolarHBondContact O-N 2.95Å; V117-D119 VanDerWaalsContact C-N 3.29Å; V117-D119 PolarHBondContact O-N 2.92Å; V117-V120 PolarHBondContact O-N 2.87Å; V117-S121 PolarHBondContact O-N 3.45Å; V117-S121 PolarHBondContact O-OG 3.4Å; V117-S121 VanDerWaalsContact O-OG 3.14Å
118K97.4Very high97.4Very high145 Ų14595.4 Ų95.463%0.6350%0.502SS*.Hα-helixtrans-59.6-40176.4-72.1-178.3179.5-171.20112.1Q114 R115 A116 S121 K122Q114-K118 WeakPolarHBondContact O-CG 3.47Å; Q114-K118 PolarHBondContact O-N 3.27Å; R115-K118 WeakPolarHBondContact O-CB 3.46Å; R115-K118 PolarHBondContact O-N 3.12Å; R115-K118 VanDerWaalsContact O-N 3.12Å; A116-K118 PolarHBondContact O-N 3.39Å; K118-S121 PolarHBondContact O-N 3.12Å; K118-K122 WeakPolarHBondContact O-CG 3.28Å; K118-K122 PolarHBondContact O-N 2.86Å
119D97Very high97.4Very high82 Ų8299 Ų9944%0.43951%0.512SS..Hα-helixtrans-72.4-38.4179.5-67.6-27.2000112.2R115 A116 V117 S121 K122 V123R115-D119 PolarHBondContact O-N 3.08Å; A116-D119 PolarHBondContact O-N 3.47Å; V117-D119 VanDerWaalsContact C-N 3.29Å; V117-D119 PolarHBondContact O-N 2.92Å; D119-S121 VanDerWaalsContact C-N 3.35Å; D119-S121 PolarHBondContact O-N 3.32Å; D119-K122 WeakPolarHBondContact O-CB 3.34Å; D119-K122 PolarHBondContact O-N 2.83Å; D119-K122 VanDerWaalsContact O-N 3.16Å; D119-K122 IonicContact OD1-NZ 3.46Å; D119-K122 PolarHBondContact OD1-NZ 3.43Å; D119-V123 WeakPolarHBondContact O-CG2 3.37Å; D119-V123 PolarHBondContact O-N 2.98Å
120V97.5Very high97.3Very high78 Ų78101.3 Ų101.347%0.47352%0.524SS..Hα-helixtrans-58.4-46.5170.9170.40000110.6A116 V117 K122 V123 E124A116-V120 WeakPolarHBondContact O-CG2 3.42Å; A116-V120 PolarHBondContact O-N 3.4Å; V117-V120 PolarHBondContact O-N 2.87Å; V120-K122 VanDerWaalsContact C-N 3.26Å; V120-K122 PolarHBondContact O-N 3.25Å; V120-V123 PolarHBondContact O-N 3.48Å; V120-E124 HydrophobicContact CG1-CG 4.22Å; V120-E124 WeakPolarHBondContact O-CG 3.35Å; V120-E124 PolarHBondContact O-N 3.28Å
121S97.3Very high97.3Very high49 Ų49102.9 Ų102.934%0.34353%0.527SS..Hα-helixtrans-62.4-29.8177.4-58.40000113.5V117 K118 D119 R125V117-S121 PolarHBondContact O-N 3.45Å; V117-S121 PolarHBondContact O-OG 3.4Å; V117-S121 VanDerWaalsContact O-OG 3.14Å; K118-S121 PolarHBondContact O-N 3.12Å; D119-S121 VanDerWaalsContact C-N 3.35Å; D119-S121 PolarHBondContact O-N 3.32Å; S121-R125 WeakPolarHBondContact O-CG 3.22Å; S121-R125 PolarHBondContact O-N 2.85Å; S121-R125 PolarHBondContact O-NE 3.33Å
122K97.5Very high97.3Very high114 Ų11499.5 Ų99.550%0.49652%0.523SS..Hα-helixtrans-69-44.6171.3-68170.1-167159.90111.3K118 D119 V120 E124 R125 A126K118-K122 WeakPolarHBondContact O-CG 3.28Å; K118-K122 PolarHBondContact O-N 2.86Å; D119-K122 WeakPolarHBondContact O-CB 3.34Å; D119-K122 PolarHBondContact O-N 2.83Å; D119-K122 VanDerWaalsContact O-N 3.16Å; D119-K122 IonicContact OD1-NZ 3.46Å; D119-K122 PolarHBondContact OD1-NZ 3.43Å; V120-K122 VanDerWaalsContact C-N 3.26Å; V120-K122 PolarHBondContact O-N 3.25Å; K122-E124 VanDerWaalsContact C-N 3.35Å; K122-R125 PolarHBondContact O-N 2.98Å; K122-A126 PolarHBondContact O-N 2.61Å
123V96.7Very high97.3Very high97 Ų9798 Ų9859%0.58852%0.515SS*.Hα-helixtrans-64.2-39.8178.4173.40000111.3D119 V120 A126 N127D119-V123 WeakPolarHBondContact O-CG2 3.37Å; D119-V123 PolarHBondContact O-N 2.98Å; V120-V123 PolarHBondContact O-N 3.48Å; V123-A126 PolarHBondContact O-N 3.47Å; V123-N127 WeakPolarHBondContact O-CB 3.29Å; V123-N127 PolarHBondContact O-N 3.1Å
124E97.7Very high97.2Very high119 Ų11998.5 Ų98.556%0.55651%0.512SS*.Hα-helixtrans-61.5-44.1176.3-74176.6157.300112.1V120 K122 N127 A128V120-E124 HydrophobicContact CG1-CG 4.22Å; V120-E124 WeakPolarHBondContact O-CG 3.35Å; V120-E124 PolarHBondContact O-N 3.28Å; K122-E124 VanDerWaalsContact C-N 3.35Å; E124-N127 PolarHBondContact O-N 2.9Å; E124-A128 PolarHBondContact O-N 3.35Å
125R97.5Very high97.2Very high175 Ų17597.5 Ų97.566%0.6651%0.512SS*.Hα-helixtrans-60.9-44.6173.6-74.7-175.2-72.4170.4-4112.2S121 K122 N127 A128 K129S121-R125 WeakPolarHBondContact O-CG 3.22Å; S121-R125 PolarHBondContact O-N 2.85Å; S121-R125 PolarHBondContact O-NE 3.33Å; K122-R125 PolarHBondContact O-N 2.98Å; R125-N127 VanDerWaalsContact C-N 3.33Å; R125-N127 PolarHBondContact O-N 3.04Å; R125-A128 PolarHBondContact O-N 3.41Å; R125-K129 PolarHBondContact O-N 3.04Å
126A97.6Very high97.1Very high52 Ų5295.4 Ų95.443%0.4351%0.508SS..Hα-helixtrans-62.8-39.417600000112.3K122 V123 K129 L130K122-A126 PolarHBondContact O-N 2.61Å; V123-A126 PolarHBondContact O-N 3.47Å; A126-K129 PolarHBondContact O-N 2.92Å; A126-L130 WeakPolarHBondContact O-CG 3.32Å; A126-L130 PolarHBondContact O-N 2.9Å
127N96.2Very high96.9Very high78 Ų7897.3 Ų97.342%0.41751%0.508SS..Hα-helixtrans-66.4-39.7176.5-167.1-3.8000111.7V123 E124 R125 K129 L130 K131V123-N127 WeakPolarHBondContact O-CB 3.29Å; V123-N127 PolarHBondContact O-N 3.1Å; E124-N127 PolarHBondContact O-N 2.9Å; R125-N127 VanDerWaalsContact C-N 3.33Å; R125-N127 PolarHBondContact O-N 3.04Å; N127-K129 VanDerWaalsContact C-N 3.35Å; N127-K129 PolarHBondContact O-N 2.97Å; N127-L130 PolarHBondContact O-N 3.12Å; N127-K131 WeakPolarHBondContact O-CB 3.44Å; N127-K131 VanDerWaalsContact O-CG 3.31Å; N127-K131 WeakPolarHBondContact O-CG 3.46Å; N127-K131 PolarHBondContact O-N 3.36Å; N127-K131 WeakPolarHBondContact OD1-CE 3.46Å
128A97.7Very high96.8Very high61 Ų6198.9 Ų98.950%0.50451%0.508SS..Hα-helixtrans-60.1-44.5173.500000111.7E124 R125 K131 A132E124-A128 PolarHBondContact O-N 3.35Å; R125-A128 PolarHBondContact O-N 3.41Å; A128-K131 PolarHBondContact O-N 3.01Å; A128-A132 PolarHBondContact O-N 3.21Å; A128-A132 VanDerWaalsContact O-N 3.08Å
129K97.8Very high96.6Very high142 Ų14298.8 Ų98.862%0.61751%0.507SS*.Hα-helixtrans-60.6-50.2174.6-174.4177.9178.61800112.1R125 A126 N127 K131 A132 D133R125-K129 PolarHBondContact O-N 3.04Å; A126-K129 PolarHBondContact O-N 2.92Å; N127-K129 VanDerWaalsContact C-N 3.35Å; N127-K129 PolarHBondContact O-N 2.97Å; K129-K131 VanDerWaalsContact C-N 3.27Å; K129-K131 PolarHBondContact O-N 3.15Å; K129-A132 WeakPolarHBondContact O-CB 3.33Å; K129-A132 PolarHBondContact O-N 3.4Å; K129-A132 VanDerWaalsContact O-N 3.07Å; K129-D133 PolarHBondContact O-N 3.25Å
130L97Very high96.4Very high116 Ų11698.5 Ų98.561%0.60750%0.504SS*.Hα-helixtrans-59.8-36.1178.3-74.9171.5000112.8A126 N127 L134A126-L130 WeakPolarHBondContact O-CG 3.32Å; A126-L130 PolarHBondContact O-N 2.9Å; N127-L130 PolarHBondContact O-N 3.12Å; L130-L134 VanDerWaalsContact O-CB 3.26Å; L130-L134 WeakPolarHBondContact O-CB 3.48Å; L130-L134 PolarHBondContact O-N 2.9Å
131K97.6Very high96.1Very high130 Ų13098.8 Ų98.857%0.56550%0.502SS*.Hα-helixtrans-65.1-44174-76.1173.8-178.5175.90111.6N127 A128 K129 L134 T135N127-K131 WeakPolarHBondContact O-CB 3.44Å; N127-K131 VanDerWaalsContact O-CG 3.31Å; N127-K131 WeakPolarHBondContact O-CG 3.46Å; N127-K131 PolarHBondContact O-N 3.36Å; N127-K131 WeakPolarHBondContact OD1-CE 3.46Å; A128-K131 PolarHBondContact O-N 3.01Å; K129-K131 VanDerWaalsContact C-N 3.27Å; K129-K131 PolarHBondContact O-N 3.15Å; K131-L134 PolarHBondContact O-N 3.19Å; K131-T135 WeakPolarHBondContact O-CG2 3.42Å; K131-T135 PolarHBondContact O-N 3.41Å
132A97.4Very high95.8Very high56 Ų56100.1 Ų100.146%0.46351%0.506SS..Hα-helixtrans-60.1-48.6175.900000110.9A128 K129 L134 T135 K136A128-A132 PolarHBondContact O-N 3.21Å; A128-A132 VanDerWaalsContact O-N 3.08Å; K129-A132 WeakPolarHBondContact O-CB 3.33Å; K129-A132 PolarHBondContact O-N 3.4Å; K129-A132 VanDerWaalsContact O-N 3.07Å; A132-L134 VanDerWaalsContact C-N 3.31Å; A132-L134 PolarHBondContact O-N 3.26Å; A132-T135 PolarHBondContact O-N 3.33Å; A132-T135 VanDerWaalsContact O-N 3.08Å; A132-T135 PolarHBondContact O-OG1 3.28Å; A132-K136 PolarHBondContact O-N 2.89Å; A132-K136 VanDerWaalsContact O-N 3.08Å
133D97Very high95.4Very high71 Ų7198.9 Ų98.938%0.3850%0.504SS..Hα-helixtrans-59.2-41.9177.1-67-24.2000111.5K129 T135 K136 M137K129-D133 PolarHBondContact O-N 3.25Å; D133-T135 VanDerWaalsContact C-N 3.32Å; D133-T135 PolarHBondContact O-N 3.24Å; D133-K136 WeakPolarHBondContact O-CB 3.49Å; D133-K136 PolarHBondContact O-N 3.5Å; D133-K136 VanDerWaalsContact O-N 3.09Å; D133-M137 WeakPolarHBondContact O-CG 3.46Å; D133-M137 PolarHBondContact O-N 3.38Å
134L95.9Very high95Very high93 Ų9399.2 Ų99.249%0.48750%0.501SS..Hα-helixtrans-63.7-34.3176.6-175.7139.7000112.9L130 K131 A132 K138L130-L134 VanDerWaalsContact O-CB 3.26Å; L130-L134 WeakPolarHBondContact O-CB 3.48Å; L130-L134 PolarHBondContact O-N 2.9Å; K131-L134 PolarHBondContact O-N 3.19Å; A132-L134 VanDerWaalsContact C-N 3.31Å; A132-L134 PolarHBondContact O-N 3.26Å; L134-K138 HydrophobicContact CD2-CD 3.9Å; L134-K138 VanDerWaalsContact CD2-CE 3.41Å; L134-K138 WeakPolarHBondContact O-CB 3.45Å; L134-K138 VanDerWaalsContact O-CG 3.25Å; L134-K138 WeakPolarHBondContact O-CG 3.38Å; L134-K138 PolarHBondContact O-N 3.16Å; L134-K138 VanDerWaalsContact O-N 3.09Å
135T96.1Very high94.6Very high76 Ų7698.8 Ų98.847%0.46650%0.498SS..Hα-helixtrans-69.2-35.4172.466.80000112.4K131 A132 D133 K139K131-T135 WeakPolarHBondContact O-CG2 3.42Å; K131-T135 PolarHBondContact O-N 3.41Å; A132-T135 PolarHBondContact O-N 3.33Å; A132-T135 VanDerWaalsContact O-N 3.08Å; A132-T135 PolarHBondContact O-OG1 3.28Å; D133-T135 VanDerWaalsContact C-N 3.32Å; D133-T135 PolarHBondContact O-N 3.24Å; T135-K139 WeakPolarHBondContact O-CG 3.4Å; T135-K139 PolarHBondContact O-N 3.31Å
136K96Very high93.9Very high123 Ų12397.7 Ų97.754%0.53549%0.494SS..Hα-helixtrans-65.5-51.7175.1-175.7-173.1173.1-164.10111A132 D133 K138 K139 E140A132-K136 PolarHBondContact O-N 2.89Å; A132-K136 VanDerWaalsContact O-N 3.08Å; D133-K136 WeakPolarHBondContact O-CB 3.49Å; D133-K136 PolarHBondContact O-N 3.5Å; D133-K136 VanDerWaalsContact O-N 3.09Å; K136-K138 VanDerWaalsContact C-N 3.26Å; K136-K138 PolarHBondContact O-N 2.92Å; K136-K139 WeakPolarHBondContact O-CB 3.48Å; K136-K139 PolarHBondContact O-N 2.67Å; K136-E140 WeakPolarHBondContact CE-OE1 3.42Å; K136-E140 PolarHBondContact O-N 3.45Å
137M92.7Very high93Very high93 Ų9399.8 Ų99.846%0.45850%0.497SS..Hα-helixtrans-60.9-34178.5-64-55.7-87.100112.3D133 E140 N141D133-M137 WeakPolarHBondContact O-CG 3.46Å; D133-M137 PolarHBondContact O-N 3.38Å; M137-E140 PolarHBondContact O-N 3.18Å; M137-N141 VanDerWaalsContact O-CB 3.28Å; M137-N141 WeakPolarHBondContact O-CB 3.45Å; M137-N141 PolarHBondContact O-N 3.44Å
138K95.9Very high92.3Very high126 Ų12699.9 Ų99.955%0.54850%0.5SS..Hα-helixtrans-63.4-44.4173.2-80.8175.3176177.20112.4L134 K136 N141 D142L134-K138 HydrophobicContact CD2-CD 3.9Å; L134-K138 VanDerWaalsContact CD2-CE 3.41Å; L134-K138 WeakPolarHBondContact O-CB 3.45Å; L134-K138 VanDerWaalsContact O-CG 3.25Å; L134-K138 WeakPolarHBondContact O-CG 3.38Å; L134-K138 PolarHBondContact O-N 3.16Å; L134-K138 VanDerWaalsContact O-N 3.09Å; K136-K138 VanDerWaalsContact C-N 3.26Å; K136-K138 PolarHBondContact O-N 2.92Å; K138-N141 PolarHBondContact O-N 3.03Å; K138-D142 VanDerWaalsContact O-CG 3.28Å; K138-D142 PolarHBondContact O-N 3.2Å
139K93.2Very high91.5Very high143 Ų143102.8 Ų102.862%0.62250%0.503SS*.Hα-helixtrans-62.4-43.3176.5-69.7173.8-179178.60111.3T135 K136 D142 I143T135-K139 WeakPolarHBondContact O-CG 3.4Å; T135-K139 PolarHBondContact O-N 3.31Å; K136-K139 WeakPolarHBondContact O-CB 3.48Å; K136-K139 PolarHBondContact O-N 2.67Å; K139-D142 PolarHBondContact O-N 2.85Å; K139-I143 WeakPolarHBondContact O-CG1 3.38Å; K139-I143 PolarHBondContact O-N 2.89Å
140E92Very high90.4Very high77 Ų77100.4 Ų100.436%0.3650%0.497SS..Hα-helixtrans-63.4-43.4176.8-70.6173.6-176.600111.8K136 M137 D142 I143 L144K136-E140 WeakPolarHBondContact CE-OE1 3.42Å; K136-E140 PolarHBondContact O-N 3.45Å; M137-E140 PolarHBondContact O-N 3.18Å; E140-D142 VanDerWaalsContact C-N 3.34Å; E140-D142 PolarHBondContact O-N 3.4Å; E140-I143 WeakPolarHBondContact O-CB 3.39Å; E140-I143 PolarHBondContact O-N 3.47Å; E140-I143 VanDerWaalsContact O-N 3.13Å; E140-L144 WeakPolarHBondContact O-CG 3.41Å; E140-L144 PolarHBondContact O-N 3.26Å
141N90.5Very high89.2Confident83 Ų83101.4 Ų101.444%0.44450%0.503SS..Hα-helixtrans-62.5-39.6174.9-166.2-15.4000111.9M137 K138 I143 L144 K145M137-N141 VanDerWaalsContact O-CB 3.28Å; M137-N141 WeakPolarHBondContact O-CB 3.45Å; M137-N141 PolarHBondContact O-N 3.44Å; K138-N141 PolarHBondContact O-N 3.03Å; N141-I143 VanDerWaalsContact C-N 3.28Å; N141-I143 PolarHBondContact O-N 3.49Å; N141-L144 PolarHBondContact O-N 3.06Å; N141-K145 WeakPolarHBondContact O-CG 3.39Å; N141-K145 PolarHBondContact O-N 3.16Å; N141-K145 VanDerWaalsContact OD1-CE 3.31Å; N141-K145 WeakPolarHBondContact OD1-CE 3.44Å
142D91.2Very high88.1Confident78 Ų78102.9 Ų102.942%0.41751%0.509SS..Hα-helixtrans-67.5-26.5175.1-70-18.8000113K138 K139 E140 K145 R146K138-D142 VanDerWaalsContact O-CG 3.28Å; K138-D142 PolarHBondContact O-N 3.2Å; K139-D142 PolarHBondContact O-N 2.85Å; E140-D142 VanDerWaalsContact C-N 3.34Å; E140-D142 PolarHBondContact O-N 3.4Å; D142-K145 IonicContact OD1-NZ 2.67Å; D142-R146 WeakPolarHBondContact O-CG 3.37Å; D142-R146 PolarHBondContact O-N 3.36Å; D142-R146 PolarHBondContact O-NE 2.96Å
143I89.7Confident86.6Confident88 Ų88103.4 Ų103.445%0.45151%0.507SS..Hα-helixtrans-74.1-47.3170.7-67.1164.2000110K139 E140 N141 K145 R146 L147K139-I143 WeakPolarHBondContact O-CG1 3.38Å; K139-I143 PolarHBondContact O-N 2.89Å; E140-I143 WeakPolarHBondContact O-CB 3.39Å; E140-I143 PolarHBondContact O-N 3.47Å; E140-I143 VanDerWaalsContact O-N 3.13Å; N141-I143 VanDerWaalsContact C-N 3.28Å; N141-I143 PolarHBondContact O-N 3.49Å; I143-K145 VanDerWaalsContact C-N 3.34Å; I143-K145 PolarHBondContact O-N 3.03Å; I143-R146 WeakPolarHBondContact O-CB 3.37Å; I143-R146 PolarHBondContact O-N 2.97Å; I143-R146 VanDerWaalsContact O-N 3.14Å; I143-L147 HydrophobicContact CG2-CD1 4.19Å; I143-L147 HydrophobicContact CG2-CG 4.49Å; I143-L147 PolarHBondContact O-N 3.18Å
144L88.6Confident85.1Confident103 Ų103105.7 Ų105.754%0.53952%0.519SS..Hα-helixtrans-60.2-41.7179.1-72172.6000112E140 N141 R146 L147 V148E140-L144 WeakPolarHBondContact O-CG 3.41Å; E140-L144 PolarHBondContact O-N 3.26Å; N141-L144 PolarHBondContact O-N 3.06Å; L144-R146 VanDerWaalsContact C-N 3.33Å; L144-R146 PolarHBondContact O-N 2.85Å; L144-L147 HydrophobicContact CD2-CD1 4.49Å; L144-L147 PolarHBondContact O-N 3.31Å; L144-V148 WeakPolarHBondContact O-CG2 3.41Å; L144-V148 PolarHBondContact O-N 3.38Å
145K88.5Confident83.6Confident110 Ų110103.4 Ų103.448%0.47851%0.514SS..Hα-helixtrans-58-44.8173.7-75.5173.3-173.6164.30112.2N141 D142 I143 L147 V148 E149N141-K145 WeakPolarHBondContact O-CG 3.39Å; N141-K145 PolarHBondContact O-N 3.16Å; N141-K145 VanDerWaalsContact OD1-CE 3.31Å; N141-K145 WeakPolarHBondContact OD1-CE 3.44Å; D142-K145 IonicContact OD1-NZ 2.67Å; I143-K145 VanDerWaalsContact C-N 3.34Å; I143-K145 PolarHBondContact O-N 3.03Å; K145-L147 VanDerWaalsContact C-N 3.34Å; K145-L147 PolarHBondContact O-N 3.14Å; K145-V148 PolarHBondContact O-N 3.08Å; K145-E149 WeakPolarHBondContact O-CG 3.41Å; K145-E149 PolarHBondContact O-N 3Å
146R83.5Confident82.1Confident153 Ų153104.1 Ų104.158%0.57751%0.514SS*.Hα-helixtrans-63-38.7176.3-78-178.1-94.8176.8-11.5112.2D142 I143 L144 E149 L150D142-R146 WeakPolarHBondContact O-CG 3.37Å; D142-R146 PolarHBondContact O-N 3.36Å; D142-R146 PolarHBondContact O-NE 2.96Å; I143-R146 WeakPolarHBondContact O-CB 3.37Å; I143-R146 PolarHBondContact O-N 2.97Å; I143-R146 VanDerWaalsContact O-N 3.14Å; L144-R146 VanDerWaalsContact C-N 3.33Å; L144-R146 PolarHBondContact O-N 2.85Å; R146-E149 PolarHBondContact O-N 3.44Å; R146-L150 WeakPolarHBondContact O-CG 3.26Å; R146-L150 PolarHBondContact O-N 3.05Å
147L79.3Confident80.6Confident96 Ų96104.6 Ų104.650%0.50352%0.518SS..Hα-helixtrans-66.1-41.2175.3-69.6173.3000112.2I143 L144 K145 E149 L150 D151I143-L147 HydrophobicContact CG2-CD1 4.19Å; I143-L147 HydrophobicContact CG2-CG 4.49Å; I143-L147 PolarHBondContact O-N 3.18Å; L144-L147 HydrophobicContact CD2-CD1 4.49Å; L144-L147 PolarHBondContact O-N 3.31Å; K145-L147 VanDerWaalsContact C-N 3.34Å; K145-L147 PolarHBondContact O-N 3.14Å; L147-E149 VanDerWaalsContact C-N 3.31Å; L147-E149 PolarHBondContact O-N 3.2Å; L147-L150 HydrophobicContact CD2-CD1 4.48Å; L147-L150 PolarHBondContact O-N 3.44Å; L147-D151 PolarHBondContact O-N 3.37Å
148V81.3Confident79.4Confident79 Ų79104.1 Ų104.148%0.47952%0.524SS..Hα-helixtrans-66.1-34.6175171.70000111.6L144 K145 D151 K152L144-V148 WeakPolarHBondContact O-CG2 3.41Å; L144-V148 PolarHBondContact O-N 3.38Å; K145-V148 PolarHBondContact O-N 3.08Å; V148-D151 PolarHBondContact O-N 3.43Å; V148-K152 WeakPolarHBondContact O-CG 3.34Å; V148-K152 PolarHBondContact O-N 2.84Å
149E81.1Confident77.9Confident122 Ų122102.8 Ų102.857%0.5753%0.529SS*.Hα-helixtrans-66.2-38.8172.9-75.6172.3-18000112K145 R146 L147 K152 T153K145-E149 WeakPolarHBondContact O-CG 3.41Å; K145-E149 PolarHBondContact O-N 3Å; R146-E149 PolarHBondContact O-N 3.44Å; L147-E149 VanDerWaalsContact C-N 3.31Å; L147-E149 PolarHBondContact O-N 3.2Å; E149-K152 PolarHBondContact O-N 3.31Å; E149-T153 PolarHBondContact O-N 3.17Å
150L73Confident76.7Confident93 Ų9399.1 Ų99.149%0.48752%0.516SS..Hα-helixtrans-64.9-38.3174.5-75.1168.2000112.7R146 L147 K152 T153R146-L150 WeakPolarHBondContact O-CG 3.26Å; R146-L150 PolarHBondContact O-N 3.05Å; L147-L150 HydrophobicContact CD2-CD1 4.48Å; L147-L150 PolarHBondContact O-N 3.44Å; L150-K152 VanDerWaalsContact C-N 3.26Å; L150-K152 PolarHBondContact O-N 3.46Å; L150-T153 PolarHBondContact O-N 3.42Å; L150-T153 VanDerWaalsContact O-N 3.14Å; L150-T153 PolarHBondContact O-OG1 2.9Å
151D73.2Confident75.6Confident136 Ų136100 Ų10073%0.72753%0.53SS*.Hα-helixtrans-63.8-30.8176.8-170.462.5000112.6L147 V148 T153L147-D151 PolarHBondContact O-N 3.37Å; V148-D151 PolarHBondContact O-N 3.43Å; D151-T153 VanDerWaalsContact C-N 3.31Å
152K73.6Confident74.6Confident162 Ų16299 Ų9970%0.70454%0.539SS*.THydrogen-bonded Turntrans-77.1-17.2175.7-69.7174.4-176.7176.70113.8V148 E149 L150V148-K152 WeakPolarHBondContact O-CG 3.34Å; V148-K152 PolarHBondContact O-N 2.84Å; E149-K152 PolarHBondContact O-N 3.31Å; L150-K152 VanDerWaalsContact C-N 3.26Å; L150-K152 PolarHBondContact O-N 3.46Å
153T67.1Low73.7Confident66 Ų6697.7 Ų97.741%0.40553%0.532SS..SBendtrans-94.9133.1177.2570000109E149 L150 D151 A155E149-T153 PolarHBondContact O-N 3.17Å; L150-T153 PolarHBondContact O-N 3.42Å; L150-T153 VanDerWaalsContact O-N 3.14Å; L150-T153 PolarHBondContact O-OG1 2.9Å; D151-T153 VanDerWaalsContact C-N 3.31Å; T153-A155 PolarHBondContact O-N 3.06Å; T153-A155 WeakPolarHBondContact OG1-CB 3.42Å
154D64.9Low73Confident120 Ų120102.5 Ų102.564%0.64255%0.553SS**THydrogen-bonded Turntrans-62.712.7170-54-30.5000112.8L156 E157 S158D154-L156 PolarHBondContact O-N 3.37Å; D154-E157 HydrophobicContact CB-CB 4.31Å; D154-E157 WeakPolarHBondContact O-CB 3.31Å; D154-E157 PolarHBondContact O-N 2.92Å; D154-S158 PolarHBondContact O-N 3.29Å
155A63.6Low72.6Confident45 Ų45102.1 Ų102.137%0.37255%0.551SS.*Hα-helixtrans-55.8-36.2173.600000111.5T153 S158 C159T153-A155 PolarHBondContact O-N 3.06Å; T153-A155 WeakPolarHBondContact OG1-CB 3.42Å; A155-S158 PolarHBondContact O-N 2.93Å; A155-C159 PolarHBondContact O-N 3.3Å; A155-C159 PolarHBondContact O-SG 2.87Å
156L64.9Low72.3Confident91 Ų91103.5 Ų103.548%0.47656%0.563SS.*Hα-helixtrans-67.6-40.8175.5-141.1103.5000111.5D154 C159 I160 M176D154-L156 PolarHBondContact O-N 3.37Å; L156-C159 PolarHBondContact O-N 3.38Å; L156-I160 HydrophobicContact CD2-CD1 4Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.43Å; L156-I160 PolarHBondContact O-N 3.33Å; L156-M176 HydrophobicContact CD2-CE 3.79Å
157E65Low72.2Confident132 Ų13299.2 Ų99.262%0.61756%0.559SS**Hα-helixtrans-65.5-40.5177.3-164.7168.5-166.200110.9D154 C159 I160 S161D154-E157 HydrophobicContact CB-CB 4.31Å; D154-E157 WeakPolarHBondContact O-CB 3.31Å; D154-E157 PolarHBondContact O-N 2.92Å; E157-C159 PolarHBondContact O-N 3.28Å; E157-I160 PolarHBondContact O-N 2.95Å; E157-S161 WeakPolarHBondContact O-CB 3.48Å; E157-S161 PolarHBondContact O-N 3.27Å; E157-S161 PolarHBondContact O-OG 2.91Å
158S67.8Low72.3Confident83 Ų8396.4 Ų96.458%0.5855%0.55SS**Hα-helixtrans-60.9-44.3172.3-1780000112.2D154 A155 I160 S161D154-S158 PolarHBondContact O-N 3.29Å; A155-S158 PolarHBondContact O-N 2.93Å; S158-I160 VanDerWaalsContact C-N 3.31Å; S158-I160 PolarHBondContact O-N 3.44Å; S158-S161 PolarHBondContact O-N 2.84Å; S158-S161 PolarHBondContact O-OG 2.88Å
159C64.6Low72.2Confident98 Ų9895.6 Ų95.666%0.66254%0.543SS*.Hα-helixtrans-65.6-32.3177-72.30000113.4A155 L156 E157A155-C159 PolarHBondContact O-N 3.3Å; A155-C159 PolarHBondContact O-SG 2.87Å; L156-C159 PolarHBondContact O-N 3.38Å; E157-C159 PolarHBondContact O-N 3.28Å
160I68Low72.2Confident67 Ų6797.1 Ų97.134%0.34455%0.548SS..Hα-helixtrans-78.7-35.3179-68.5167000111L156 E157 S158 G162 I163 L169L156-I160 HydrophobicContact CD2-CD1 4Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.43Å; L156-I160 PolarHBondContact O-N 3.33Å; E157-I160 PolarHBondContact O-N 2.95Å; S158-I160 VanDerWaalsContact C-N 3.31Å; S158-I160 PolarHBondContact O-N 3.44Å; I160-G162 PolarHBondContact O-N 3.48Å; I160-G162 VanDerWaalsContact O-N 3.14Å; I160-I163 PolarHBondContact O-N 3.39Å; I160-I163 VanDerWaalsContact O-N 3.07Å; I160-L169 HydrophobicContact CG2-CD1 3.6Å
161S68.3Low72.7Confident94 Ų9499.5 Ų99.566%0.65755%0.554SS**Hα-helixtrans-62.5-20.8-176.766.10000114.9E157 S158E157-S161 WeakPolarHBondContact O-CB 3.48Å; E157-S161 PolarHBondContact O-N 3.27Å; E157-S161 PolarHBondContact O-OG 2.91Å; S158-S161 PolarHBondContact O-N 2.84Å; S158-S161 PolarHBondContact O-OG 2.88Å
162G69.8Low73.1Confident62 Ų6295.4 Ų95.464%0.63954%0.536SS*.THydrogen-bonded Turntrans-87.2-0.8176.200000115.2I160 E164I160-G162 PolarHBondContact O-N 3.48Å; I160-G162 VanDerWaalsContact O-N 3.14Å; G162-E164 PolarHBondContact O-N 2.94Å
163I72.4Confident73.6Confident51 Ų5190.7 Ų90.726%0.26252%0.52SS..  trans-89.796.4-179.5-54.7175.8000109I160 D165 A168 L169I160-I163 PolarHBondContact O-N 3.39Å; I160-I163 VanDerWaalsContact O-N 3.07Å; I163-D165 WeakPolarHBondContact CG2-O 3.44Å; I163-A168 HydrophobicContact CG2-CB 3.73Å; I163-L169 HydrophobicContact CD1-CD1 4.41Å; I163-L169 HydrophobicContact CG2-CB 3.99Å
164E74.1Confident74.6Confident189 Ų18992 Ų9288%0.88352%0.522SS*.  trans-79-24.4177.4-63.5-179.3178.100112.8G162 I166G162-E164 PolarHBondContact O-N 2.94Å; E164-I166 PolarHBondContact O-N 3.34Å
165D80.8Confident75.6Confident95 Ų9588.9 Ų88.951%0.50851%0.507SS..  trans-82.2111.8179179.912.8000111.4I163 A167 A168 L169I163-D165 WeakPolarHBondContact CG2-O 3.44Å; D165-A167 PolarHBondContact O-N 3.31Å; D165-A167 VanDerWaalsContact OD1-CB 3.32Å; D165-A167 WeakPolarHBondContact OD1-CB 3.49Å; D165-A167 PolarHBondContact OD1-N 3.07Å; D165-A168 HydrophobicContact CB-CB 3.96Å; D165-A168 WeakPolarHBondContact O-CB 3.34Å; D165-A168 PolarHBondContact O-N 3.46Å; D165-A168 PolarHBondContact OD2-N 2.92Å; D165-L169 PolarHBondContact O-N 3.35Å
166I81.1Confident76.7Confident140 Ų14091.5 Ų91.572%0.71851%0.513SS*.Hα-helixtrans-55.1-34.1175.8-62.1173.5000111.2E164 K170E164-I166 PolarHBondContact O-N 3.34Å; I166-K170 VanDerWaalsContact O-CB 3.29Å; I166-K170 WeakPolarHBondContact O-CB 3.4Å; I166-K170 PolarHBondContact O-N 3.07Å
167A82.5Confident77.8Confident62 Ų6293.1 Ų93.151%0.51252%0.516SS..Hα-helixtrans-68.1-43.6177.800000111.5D165 K170 F171D165-A167 PolarHBondContact O-N 3.31Å; D165-A167 VanDerWaalsContact OD1-CB 3.32Å; D165-A167 WeakPolarHBondContact OD1-CB 3.49Å; D165-A167 PolarHBondContact OD1-N 3.07Å; A167-K170 PolarHBondContact O-N 3.08Å; A167-F171 WeakPolarHBondContact O-CB 3.38Å; A167-F171 PolarHBondContact O-N 2.93Å
168A80.6Confident78.9Confident38 Ų3894 Ų9431%0.31451%0.514SS..Hα-helixtrans-62.8-44.4174.600000111.8I163 D165 K170 F171 C172I163-A168 HydrophobicContact CG2-CB 3.73Å; D165-A168 HydrophobicContact CB-CB 3.96Å; D165-A168 WeakPolarHBondContact O-CB 3.34Å; D165-A168 PolarHBondContact O-N 3.46Å; D165-A168 PolarHBondContact OD2-N 2.92Å; A168-K170 PolarHBondContact O-N 3.29Å; A168-F171 PolarHBondContact O-N 3.39Å; A168-C172 PolarHBondContact O-N 3.05Å; A168-C172 PolarHBondContact O-SG 3.38Å; A168-C172 VanDerWaalsContact O-SG 3.33Å
169L79.4Confident79.9Confident61 Ų6195.5 Ų95.532%0.31951%0.51SS..Hα-helixtrans-61.6-45.4177.3-175.865000111.5I160 I163 D165 F171 C172 V173I160-L169 HydrophobicContact CG2-CD1 3.6Å; I163-L169 HydrophobicContact CD1-CD1 4.41Å; I163-L169 HydrophobicContact CG2-CB 3.99Å; D165-L169 PolarHBondContact O-N 3.35Å; L169-F171 VanDerWaalsContact C-N 3.32Å; L169-F171 PolarHBondContact O-N 2.94Å; L169-C172 PolarHBondContact O-N 3.33Å; L169-V173 WeakPolarHBondContact O-CG2 3.35Å; L169-V173 PolarHBondContact O-N 2.9Å
170K82.5Confident81.1Confident154 Ų15496.6 Ų96.667%0.6751%0.505SS*.Hα-helixtrans-61.1-41.1176.9-171.5178.8-179.4-179.90111.6I166 A167 A168 E174I166-K170 VanDerWaalsContact O-CB 3.29Å; I166-K170 WeakPolarHBondContact O-CB 3.4Å; I166-K170 PolarHBondContact O-N 3.07Å; A167-K170 PolarHBondContact O-N 3.08Å; A168-K170 PolarHBondContact O-N 3.29Å; K170-E174 WeakPolarHBondContact O-CB 3.38Å; K170-E174 PolarHBondContact O-N 3.36Å
171F83.3Confident82.2Confident144 Ų144101.2 Ų101.263%0.63252%0.522SS*.Hα-helixtrans-62.9-47175.2-179.1-97.9000111.9A167 A168 L169 V173 E174 V175A167-F171 WeakPolarHBondContact O-CB 3.38Å; A167-F171 PolarHBondContact O-N 2.93Å; A168-F171 PolarHBondContact O-N 3.39Å; L169-F171 VanDerWaalsContact C-N 3.32Å; L169-F171 PolarHBondContact O-N 2.94Å; F171-V173 PolarHBondContact O-N 3.49Å; F171-E174 PolarHBondContact O-N 3.45Å; F171-V175 HydrophobicContact CD1-CG2 4.2Å; F171-V175 HydrophobicContact CE1-CG2 3.81Å; F171-V175 HydrophobicContact CE2-CG2 4.31Å; F171-V175 HydrophobicContact CZ-CG2 3.88Å; F171-V175 WeakPolarHBondContact O-CG2 3.31Å; F171-V175 PolarHBondContact O-N 3.35Å
172C81.7Confident83.2Confident50 Ų50100.9 Ų100.934%0.33851%0.51SS..Hα-helixtrans-57.8-47.2176.5-71.90000112A168 L169 E174 V175 M176A168-C172 PolarHBondContact O-N 3.05Å; A168-C172 PolarHBondContact O-SG 3.38Å; A168-C172 VanDerWaalsContact O-SG 3.33Å; L169-C172 PolarHBondContact O-N 3.33Å; C172-E174 VanDerWaalsContact C-N 3.32Å; C172-E174 PolarHBondContact O-N 3.03Å; C172-V175 PolarHBondContact O-N 2.91Å; C172-M176 WeakPolarHBondContact O-CB 3.25Å; C172-M176 WeakPolarHBondContact O-CG 3.43Å; C172-M176 PolarHBondContact O-N 3.44Å
173V84Confident84.2Confident62 Ų62103.3 Ų103.338%0.37651%0.508SS..Hα-helixtrans-61.3-40.4177.2171.50000111.4L169 F171 M176 K177L169-V173 WeakPolarHBondContact O-CG2 3.35Å; L169-V173 PolarHBondContact O-N 2.9Å; F171-V173 PolarHBondContact O-N 3.49Å; V173-M176 PolarHBondContact O-N 2.87Å; V173-K177 HydrophobicContact CG1-CD 4.15Å; V173-K177 HydrophobicContact CG1-CG 4.38Å; V173-K177 WeakPolarHBondContact O-CB 3.44Å; V173-K177 VanDerWaalsContact O-CG 3.31Å; V173-K177 WeakPolarHBondContact O-CG 3.37Å; V173-K177 PolarHBondContact O-N 3.08Å
174E86.5Confident84.9Confident94 Ų94106 Ų10644%0.43952%0.521SS..Hα-helixtrans-67.3-40.4179.2-160.560.7-144.800112.1K170 F171 C172 K177 R178K170-E174 WeakPolarHBondContact O-CB 3.38Å; K170-E174 PolarHBondContact O-N 3.36Å; F171-E174 PolarHBondContact O-N 3.45Å; C172-E174 VanDerWaalsContact C-N 3.32Å; C172-E174 PolarHBondContact O-N 3.03Å; E174-K177 PolarHBondContact O-N 2.67Å; E174-R178 PolarHBondContact O-N 3.31Å
175V87.1Confident85.8Confident55 Ų5599.9 Ų99.933%0.33350%0.499SS..Hα-helixtrans-63-45.8173.3172.90000110.7F171 C172 R178 K179F171-V175 HydrophobicContact CD1-CG2 4.2Å; F171-V175 HydrophobicContact CE1-CG2 3.81Å; F171-V175 HydrophobicContact CE2-CG2 4.31Å; F171-V175 HydrophobicContact CZ-CG2 3.88Å; F171-V175 WeakPolarHBondContact O-CG2 3.31Å; F171-V175 PolarHBondContact O-N 3.35Å; C172-V175 PolarHBondContact O-N 2.91Å; V175-R178 PolarHBondContact O-N 3.05Å; V175-K179 WeakPolarHBondContact O-CG 3.28Å; V175-K179 PolarHBondContact O-N 3.26Å
176M87Confident86.2Confident99 Ų9998.6 Ų98.649%0.48850%0.498SS..Hα-helixtrans-62.3-42.9176.9-74.8179.265.300112.2L156 C172 V173 R178 K179 H180L156-M176 HydrophobicContact CD2-CE 3.79Å; C172-M176 WeakPolarHBondContact O-CB 3.25Å; C172-M176 WeakPolarHBondContact O-CG 3.43Å; C172-M176 PolarHBondContact O-N 3.44Å; V173-M176 PolarHBondContact O-N 2.87Å; M176-R178 PolarHBondContact O-N 3.09Å; M176-K179 PolarHBondContact O-N 3.36Å; M176-H180 VanDerWaalsContact O-CB 3.31Å; M176-H180 WeakPolarHBondContact O-CB 3.49Å; M176-H180 PolarHBondContact O-N 3.24Å
177K87Confident86.7Confident126 Ų12695.8 Ų95.855%0.54849%0.49SS..Hα-helixtrans-60.4-44.4175.6-79.6177.6178.91780112.1V173 E174 H180 K181V173-K177 HydrophobicContact CG1-CD 4.15Å; V173-K177 HydrophobicContact CG1-CG 4.38Å; V173-K177 WeakPolarHBondContact O-CB 3.44Å; V173-K177 VanDerWaalsContact O-CG 3.31Å; V173-K177 WeakPolarHBondContact O-CG 3.37Å; V173-K177 PolarHBondContact O-N 3.08Å; E174-K177 PolarHBondContact O-N 2.67Å; K177-H180 PolarHBondContact O-N 3.08Å; K177-K181 WeakPolarHBondContact O-CB 3.3Å; K177-K181 PolarHBondContact O-N 3.37Å
178R89.5Confident87.1Confident151 Ų15195.9 Ų95.957%0.5749%0.486SS*.Hα-helixtrans-61.3-46.7175.9-170.4-178.4-60.4149.94.7111E174 V175 M176 K181 E182E174-R178 PolarHBondContact O-N 3.31Å; V175-R178 PolarHBondContact O-N 3.05Å; M176-R178 PolarHBondContact O-N 3.09Å; R178-K181 PolarHBondContact O-N 3.27Å; R178-E182 WeakPolarHBondContact O-CG 3.43Å; R178-E182 PolarHBondContact O-N 3.09Å
179K88.6Confident87.6Confident113 Ų113100.2 Ų100.249%0.49150%0.498SS..Hα-helixtrans-64.2-40177.8-75.8-72.8164.2-154.50112.9V175 M176 E182 L183V175-K179 WeakPolarHBondContact O-CG 3.28Å; V175-K179 PolarHBondContact O-N 3.26Å; M176-K179 PolarHBondContact O-N 3.36Å; K179-E182 WeakPolarHBondContact CD-OE2 3.48Å; K179-E182 WeakPolarHBondContact CE-OE2 3.15Å; K179-E182 IonicContact NZ-OE2 2.74Å; K179-E182 PolarHBondContact NZ-OE2 3.24Å; K179-E182 PolarHBondContact O-N 3.47Å; K179-L183 WeakPolarHBondContact O-CB 3.38Å; K179-L183 WeakPolarHBondContact O-CG 3.44Å; K179-L183 PolarHBondContact O-N 3.25Å
180H88.6Confident88.2Confident122 Ų122101.8 Ų101.857%0.56550%0.504SS*.Hα-helixtrans-61.8-44.7174.5-17770.4000110.9M176 K177 E182 L183 M184M176-H180 VanDerWaalsContact O-CB 3.31Å; M176-H180 WeakPolarHBondContact O-CB 3.49Å; M176-H180 PolarHBondContact O-N 3.24Å; K177-H180 PolarHBondContact O-N 3.08Å; H180-E182 PolarHBondContact O-N 2.9Å; H180-L183 PolarHBondContact O-N 2.93Å; H180-M184 WeakPolarHBondContact O-CB 3.46Å; H180-M184 VanDerWaalsContact O-CG 3.23Å; H180-M184 WeakPolarHBondContact O-CG 3.35Å; H180-M184 PolarHBondContact O-N 3.46Å
181K90.6Very high88.6Confident163 Ų16397.3 Ų97.371%0.70950%0.495SS*.Hα-helixtrans-61.4-43.2175.5-171.1177.9-179.51790112.4K177 R178 S185K177-K181 WeakPolarHBondContact O-CB 3.3Å; K177-K181 PolarHBondContact O-N 3.37Å; R178-K181 PolarHBondContact O-N 3.27Å; K181-S185 PolarHBondContact O-N 3.24Å; K181-S185 PolarHBondContact O-OG 3.4Å
182E90.4Very high89.1Confident87 Ų8795.1 Ų95.141%0.40749%0.487SS..Hα-helixtrans-59.7-51.2174.3-73.7169.3-16500111.4R178 K179 H180 M184 S185 S186R178-E182 WeakPolarHBondContact O-CG 3.43Å; R178-E182 PolarHBondContact O-N 3.09Å; K179-E182 WeakPolarHBondContact CD-OE2 3.48Å; K179-E182 WeakPolarHBondContact CE-OE2 3.15Å; K179-E182 IonicContact NZ-OE2 2.74Å; K179-E182 PolarHBondContact NZ-OE2 3.24Å; K179-E182 PolarHBondContact O-N 3.47Å; H180-E182 PolarHBondContact O-N 2.9Å; E182-M184 PolarHBondContact O-N 3.18Å; E182-S185 PolarHBondContact O-N 2.99Å; E182-S185 PolarHBondContact O-OG 3.45Å; E182-S186 PolarHBondContact O-N 2.8Å
183L91Very high89.7Confident114 Ų11497.6 Ų97.660%0.59749%0.494SS*.Hα-helixtrans-61.5-42.7179-77.3168.3000112.4K179 H180 S185 S186 C187K179-L183 WeakPolarHBondContact O-CB 3.38Å; K179-L183 WeakPolarHBondContact O-CG 3.44Å; K179-L183 PolarHBondContact O-N 3.25Å; H180-L183 PolarHBondContact O-N 2.93Å; L183-S185 VanDerWaalsContact C-N 3.33Å; L183-S185 PolarHBondContact O-N 3.48Å; L183-S186 PolarHBondContact O-N 2.93Å; L183-C187 VanDerWaalsContact O-CB 3.3Å; L183-C187 WeakPolarHBondContact O-CB 3.39Å; L183-C187 PolarHBondContact O-N 3.49Å
184M87.4Confident90Very high108 Ų10897.7 Ų97.753%0.53250%0.497SS..Hα-helixtrans-62.4-41.5176.4-72.9-58.9-66.400111.5H180 E182 S186 C187 S188H180-M184 WeakPolarHBondContact O-CB 3.46Å; H180-M184 VanDerWaalsContact O-CG 3.23Å; H180-M184 WeakPolarHBondContact O-CG 3.35Å; H180-M184 PolarHBondContact O-N 3.46Å; E182-M184 PolarHBondContact O-N 3.18Å; M184-S186 VanDerWaalsContact C-N 3.35Å; M184-C187 PolarHBondContact O-N 3.33Å; M184-S188 WeakPolarHBondContact O-CB 3.45Å; M184-S188 PolarHBondContact O-N 2.93Å
185S91.6Very high90.4Very high59 Ų5998.9 Ų98.941%0.41351%0.506SS..Hα-helixtrans-65.9-37.1174.775.50000112.6K181 E182 L183 K189K181-S185 PolarHBondContact O-N 3.24Å; K181-S185 PolarHBondContact O-OG 3.4Å; E182-S185 PolarHBondContact O-N 2.99Å; E182-S185 PolarHBondContact O-OG 3.45Å; L183-S185 VanDerWaalsContact C-N 3.33Å; L183-S185 PolarHBondContact O-N 3.48Å; S185-K189 WeakPolarHBondContact O-CG 3.37Å; S185-K189 PolarHBondContact O-N 3.2Å
186S90.7Very high90.7Very high69 Ų69103 Ų10348%0.48352%0.515SS..Hα-helixtrans-67.9-43.9175.7-164.30000111.6E182 L183 M184 S188 K189 E190E182-S186 PolarHBondContact O-N 2.8Å; L183-S186 PolarHBondContact O-N 2.93Å; M184-S186 VanDerWaalsContact C-N 3.35Å; S186-S188 VanDerWaalsContact C-N 3.34Å; S186-S188 PolarHBondContact O-N 3.41Å; S186-K189 PolarHBondContact O-N 3.43Å; S186-E190 WeakPolarHBondContact O-CB 3.45Å; S186-E190 PolarHBondContact O-N 3.29Å
187C90.8Very high91Very high81 Ų81100.8 Ų100.855%0.54751%0.513SS..Hα-helixtrans-63.4-39.7178-170.70000111.5L183 M184 E190 A191L183-C187 VanDerWaalsContact O-CB 3.3Å; L183-C187 WeakPolarHBondContact O-CB 3.39Å; L183-C187 PolarHBondContact O-N 3.49Å; M184-C187 PolarHBondContact O-N 3.33Å; C187-E190 PolarHBondContact O-N 3.3Å; C187-A191 WeakPolarHBondContact O-CB 3.39Å; C187-A191 PolarHBondContact O-N 2.89Å
188S90.8Very high91.3Very high64 Ų6499.2 Ų99.245%0.44851%0.51SS..Hα-helixtrans-60.7-45.1173.3-168.60000112M184 S186 A191 E192M184-S188 WeakPolarHBondContact O-CB 3.45Å; M184-S188 PolarHBondContact O-N 2.93Å; S186-S188 VanDerWaalsContact C-N 3.34Å; S186-S188 PolarHBondContact O-N 3.41Å; S188-A191 PolarHBondContact O-N 3.4Å; S188-E192 WeakPolarHBondContact O-CG 3.45Å; S188-E192 PolarHBondContact O-N 2.89Å
189K92.1Very high91.5Very high128 Ų12895.4 Ų95.456%0.55751%0.507SS*.Hα-helixtrans-63.3-44.8177-71.3174.5-178.4-177.80111.9S185 S186 A191 E192 E193S185-K189 WeakPolarHBondContact O-CG 3.37Å; S185-K189 PolarHBondContact O-N 3.2Å; S186-K189 PolarHBondContact O-N 3.43Å; K189-A191 VanDerWaalsContact C-N 3.32Å; K189-A191 PolarHBondContact O-N 3.13Å; K189-E192 WeakPolarHBondContact O-CB 3.41Å; K189-E192 PolarHBondContact O-N 3.31Å; K189-E193 WeakPolarHBondContact O-CG 3.23Å; K189-E193 PolarHBondContact O-N 3.4Å
190E90.2Very high91.8Very high95 Ų9594 Ų9444%0.44450%0.502SS..Hα-helixtrans-62.2-40.2177.5-166.569.9-154.700111.5S186 C187 E193 S194S186-E190 WeakPolarHBondContact O-CB 3.45Å; S186-E190 PolarHBondContact O-N 3.29Å; C187-E190 PolarHBondContact O-N 3.3Å; E190-E193 PolarHBondContact O-N 3.38Å; E190-S194 WeakPolarHBondContact O-CB 3.46Å; E190-S194 PolarHBondContact O-N 3.49Å
191A92.6Very high92Very high59 Ų5992.1 Ų92.149%0.48850%0.496SS..Hα-helixtrans-64.6-41.6175.900000112.1C187 S188 K189 S194 L195C187-A191 WeakPolarHBondContact O-CB 3.39Å; C187-A191 PolarHBondContact O-N 2.89Å; S188-A191 PolarHBondContact O-N 3.4Å; K189-A191 VanDerWaalsContact C-N 3.32Å; K189-A191 PolarHBondContact O-N 3.13Å; A191-S194 PolarHBondContact O-N 3.04Å; A191-L195 WeakPolarHBondContact O-CB 3.48Å; A191-L195 PolarHBondContact O-N 3.44Å
192E93Very high92.2Very high99 Ų9987 Ų8746%0.46348%0.484SS..Hα-helixtrans-63.2-43.3173.2-73.1175.1-159.400112.1S188 K189 L195 R196S188-E192 WeakPolarHBondContact O-CG 3.45Å; S188-E192 PolarHBondContact O-N 2.89Å; K189-E192 WeakPolarHBondContact O-CB 3.41Å; K189-E192 PolarHBondContact O-N 3.31Å; E192-L195 PolarHBondContact O-N 3.03Å; E192-R196 WeakPolarHBondContact O-CG 3.42Å; E192-R196 PolarHBondContact O-N 3.49Å; E192-R196 IonicContact OE2-NH1 3.66Å
193E93.3Very high92.4Very high102 Ų10288.2 Ų88.248%0.47749%0.485SS..Hα-helixtrans-62.9-42.6175.9-73.4179.7-165.900112K189 E190 L195 R196 A197K189-E193 WeakPolarHBondContact O-CG 3.23Å; K189-E193 PolarHBondContact O-N 3.4Å; E190-E193 PolarHBondContact O-N 3.38Å; E193-L195 PolarHBondContact O-N 2.91Å; E193-R196 PolarHBondContact O-N 3.22Å; E193-A197 WeakPolarHBondContact O-CB 3.45Å; E193-A197 PolarHBondContact O-N 2.92Å
194S91.8Very high92.5Very high63 Ų6385.9 Ų85.944%0.44147%0.472SS..Hα-helixtrans-61.1-42.7174.3-170.20000111.9E190 A191 A197 N198E190-S194 WeakPolarHBondContact O-CB 3.46Å; E190-S194 PolarHBondContact O-N 3.49Å; A191-S194 PolarHBondContact O-N 3.04Å; S194-A197 PolarHBondContact O-N 3.03Å; S194-N198 WeakPolarHBondContact O-CB 3.31Å; S194-N198 VanDerWaalsContact O-CG 3.31Å; S194-N198 PolarHBondContact O-N 3.46Å; S194-N198 PolarHBondContact O-ND2 3.34Å
195L94.2Very high92.7Very high120 Ų12089.2 Ų89.263%0.62848%0.479SS*.Hα-helixtrans-64.4-42.7176.4-174.468.7000111.8A191 E192 E193 N198 S199A191-L195 WeakPolarHBondContact O-CB 3.48Å; A191-L195 PolarHBondContact O-N 3.44Å; E192-L195 PolarHBondContact O-N 3.03Å; E193-L195 PolarHBondContact O-N 2.91Å; L195-N198 PolarHBondContact O-N 3.2Å; L195-S199 WeakPolarHBondContact O-CB 3.49Å; L195-S199 PolarHBondContact O-N 2.7Å; L195-S199 PolarHBondContact O-OG 3.06Å
196R94.6Very high92.8Very high141 Ų14194.4 Ų94.453%0.53249%0.494SS..Hα-helixtrans-59.7-48.7174-75.2-172.1-75.2-108.32.4111.1E192 E193 N198 S199 E200E192-R196 WeakPolarHBondContact O-CG 3.42Å; E192-R196 PolarHBondContact O-N 3.49Å; E192-R196 IonicContact OE2-NH1 3.66Å; E193-R196 PolarHBondContact O-N 3.22Å; R196-N198 PolarHBondContact O-N 3.04Å; R196-S199 PolarHBondContact O-N 3.47Å; R196-E200 PolarHBondContact O-N 3.26Å
197A91.7Very high92.9Very high52 Ų5295.3 Ų95.343%0.4349%0.49SS..Hα-helixtrans-62.1-41.6178.800000112.5E193 S194 E200 L201E193-A197 WeakPolarHBondContact O-CB 3.45Å; E193-A197 PolarHBondContact O-N 2.92Å; S194-A197 PolarHBondContact O-N 3.03Å; A197-E200 PolarHBondContact O-N 3.5Å; A197-L201 WeakPolarHBondContact O-CG 3.31Å; A197-L201 PolarHBondContact O-N 2.97Å
198N92.9Very high92.7Very high93 Ų9394.9 Ų94.950%0.49748%0.483SS..Hα-helixtrans-66-38.9177.2-77.1-34.1000112.6S194 L195 R196 E200 L201 A202S194-N198 WeakPolarHBondContact O-CB 3.31Å; S194-N198 VanDerWaalsContact O-CG 3.31Å; S194-N198 PolarHBondContact O-N 3.46Å; S194-N198 PolarHBondContact O-ND2 3.34Å; L195-N198 PolarHBondContact O-N 3.2Å; R196-N198 PolarHBondContact O-N 3.04Å; N198-E200 VanDerWaalsContact C-N 3.34Å; N198-L201 PolarHBondContact O-N 2.85Å; N198-A202 WeakPolarHBondContact O-CB 3.41Å; N198-A202 PolarHBondContact O-N 3.48Å
199S94.7Very high92.7Very high72 Ų7294 Ų9450%0.50348%0.48SS..Hα-helixtrans-63.6-42175.8-57.80000111.3L195 R196 A202 R203L195-S199 WeakPolarHBondContact O-CB 3.49Å; L195-S199 PolarHBondContact O-N 2.7Å; L195-S199 PolarHBondContact O-OG 3.06Å; R196-S199 PolarHBondContact O-N 3.47Å; S199-A202 WeakPolarHBondContact O-CB 3.49Å; S199-A202 PolarHBondContact O-N 2.87Å; S199-R203 PolarHBondContact O-N 3.39Å
200E94.9Very high92.7Very high84 Ų8490.7 Ų90.739%0.39348%0.476SS..Hα-helixtrans-67.3-41.6176.8-17960.8-175.200112.2R196 A197 N198 A202 R203 I204R196-E200 PolarHBondContact O-N 3.26Å; A197-E200 PolarHBondContact O-N 3.5Å; N198-E200 VanDerWaalsContact C-N 3.34Å; E200-A202 VanDerWaalsContact C-N 3.3Å; E200-A202 PolarHBondContact O-N 3.14Å; E200-R203 WeakPolarHBondContact O-CB 3.44Å; E200-R203 PolarHBondContact O-N 3.33Å; E200-R203 IonicContact OE1-CZ 2.75Å; E200-R203 IonicContact OE1-NE 3.68Å; E200-R203 PolarHBondContact OE1-NE 2.97Å; E200-R203 IonicContact OE1-NH2 3.86Å; E200-R203 PolarHBondContact OE1-NH2 3.42Å; E200-R203 IonicContact OE2-CZ 3.84Å; E200-R203 IonicContact OE2-NE 2.61Å; E200-R203 PolarHBondContact OE2-NE 3.26Å; E200-R203 IonicContact OE2-NH2 3.04Å; E200-I204 HydrophobicContact CG-CD1 4.06Å; E200-I204 WeakPolarHBondContact O-CG1 3.44Å; E200-I204 PolarHBondContact O-N 2.95Å
201L92.5Very high92.5Very high81 Ų8191.5 Ų91.542%0.42448%0.481SS..Hα-helixtrans-60.6-38.7172.7-76.9173.8000112.2A197 N198 R205A197-L201 WeakPolarHBondContact O-CG 3.31Å; A197-L201 PolarHBondContact O-N 2.97Å; N198-L201 PolarHBondContact O-N 2.85Å; L201-R205 WeakPolarHBondContact O-CB 3.34Å; L201-R205 VanDerWaalsContact O-CG 3.22Å; L201-R205 WeakPolarHBondContact O-CG 3.46Å; L201-R205 PolarHBondContact O-N 3.33Å
202A94.6Very high92.1Very high56 Ų5697.3 Ų97.346%0.46349%0.491SS..Hα-helixtrans-64.6-41.6175.400000111.7N198 S199 E200 R205 K206N198-A202 WeakPolarHBondContact O-CB 3.41Å; N198-A202 PolarHBondContact O-N 3.48Å; S199-A202 WeakPolarHBondContact O-CB 3.49Å; S199-A202 PolarHBondContact O-N 2.87Å; E200-A202 VanDerWaalsContact C-N 3.3Å; E200-A202 PolarHBondContact O-N 3.14Å; A202-R205 PolarHBondContact O-N 3.14Å; A202-K206 PolarHBondContact O-N 3.41Å
203R94.7Very high91.7Very high113 Ų11399.3 Ų99.343%0.42650%0.5SS..Hα-helixtrans-59.5-53173.9-172.1-173.471.884.9-0.4111.4S199 E200 R205 K206 E207S199-R203 PolarHBondContact O-N 3.39Å; E200-R203 WeakPolarHBondContact O-CB 3.44Å; E200-R203 PolarHBondContact O-N 3.33Å; E200-R203 IonicContact OE1-CZ 2.75Å; E200-R203 IonicContact OE1-NE 3.68Å; E200-R203 PolarHBondContact OE1-NE 2.97Å; E200-R203 IonicContact OE1-NH2 3.86Å; E200-R203 PolarHBondContact OE1-NH2 3.42Å; E200-R203 IonicContact OE2-CZ 3.84Å; E200-R203 IonicContact OE2-NE 2.61Å; E200-R203 PolarHBondContact OE2-NE 3.26Å; E200-R203 IonicContact OE2-NH2 3.04Å; R203-R205 VanDerWaalsContact C-N 3.3Å; R203-R205 PolarHBondContact O-N 2.79Å; R203-K206 WeakPolarHBondContact O-CB 3.26Å; R203-K206 PolarHBondContact O-N 3.03Å; R203-K206 VanDerWaalsContact O-N 3.1Å; R203-E207 IonicContact CZ-OE1 3.76Å; R203-E207 IonicContact CZ-OE2 2.85Å; R203-E207 IonicContact NH1-OE1 3.82Å; R203-E207 PolarHBondContact NH1-OE1 2.75Å; R203-E207 IonicContact NH1-OE2 2.89Å; R203-E207 PolarHBondContact NH1-OE2 2.85Å; R203-E207 PolarHBondContact O-N 3.29Å
204I92.5Very high91.1Very high64 Ų6497 Ų9733%0.32850%0.504SS..Hα-helixtrans-60.9-38.4179.5-68.6170.1000111.3E200 E207 N208E200-I204 HydrophobicContact CG-CD1 4.06Å; E200-I204 WeakPolarHBondContact O-CG1 3.44Å; E200-I204 PolarHBondContact O-N 2.95Å; I204-E207 PolarHBondContact O-N 2.74Å; I204-N208 VanDerWaalsContact CG2-ND2 3.29Å; I204-N208 WeakPolarHBondContact CG2-ND2 3.37Å; I204-N208 WeakPolarHBondContact O-CB 3.44Å; I204-N208 PolarHBondContact O-N 3.06Å; I204-N208 PolarHBondContact O-ND2 3.34Å
205R93.1Very high90.1Very high179 Ų179101 Ų10168%0.67552%0.519SS*.Hα-helixtrans-63.7-40.8175.1-78.7173.4177.4163.21112.1L201 A202 R203 N208 A209L201-R205 WeakPolarHBondContact O-CB 3.34Å; L201-R205 VanDerWaalsContact O-CG 3.22Å; L201-R205 WeakPolarHBondContact O-CG 3.46Å; L201-R205 PolarHBondContact O-N 3.33Å; A202-R205 PolarHBondContact O-N 3.14Å; R203-R205 VanDerWaalsContact C-N 3.3Å; R203-R205 PolarHBondContact O-N 2.79Å; R205-N208 PolarHBondContact O-N 3.47Å; R205-A209 WeakPolarHBondContact O-CB 3.29Å; R205-A209 PolarHBondContact O-N 3.03Å
206K93.4Very high88.8Confident167 Ų167100.3 Ų100.373%0.72652%0.52SS*.Hα-helixtrans-64.1-44.1175.7-172.1-179.6179.1-1780111.6A202 R203 A209 A210A202-K206 PolarHBondContact O-N 3.41Å; R203-K206 WeakPolarHBondContact O-CB 3.26Å; R203-K206 PolarHBondContact O-N 3.03Å; R203-K206 VanDerWaalsContact O-N 3.1Å; K206-A209 PolarHBondContact O-N 2.78Å; K206-A210 PolarHBondContact O-N 3.48Å
207E92.3Very high87Confident88 Ų8896.3 Ų96.341%0.41152%0.523SS..Hα-helixtrans-63.2-44176-73.6172-173.700112R203 I204 A209 A210 M211R203-E207 IonicContact CZ-OE1 3.76Å; R203-E207 IonicContact CZ-OE2 2.85Å; R203-E207 IonicContact NH1-OE1 3.82Å; R203-E207 PolarHBondContact NH1-OE1 2.75Å; R203-E207 IonicContact NH1-OE2 2.89Å; R203-E207 PolarHBondContact NH1-OE2 2.85Å; R203-E207 PolarHBondContact O-N 3.29Å; I204-E207 PolarHBondContact O-N 2.74Å; E207-A209 VanDerWaalsContact C-N 3.33Å; E207-A209 PolarHBondContact O-N 3.28Å; E207-A210 PolarHBondContact O-N 3.45Å; E207-M211 WeakPolarHBondContact O-CG 3.35Å; E207-M211 PolarHBondContact O-N 2.89Å
208N87.2Confident85Confident73 Ų73101.1 Ų101.139%0.3954%0.541SS..Hα-helixtrans-62.9-37.4174.7-79.6-54.3000112.9I204 R205 M211 R212I204-N208 VanDerWaalsContact CG2-ND2 3.29Å; I204-N208 WeakPolarHBondContact CG2-ND2 3.37Å; I204-N208 WeakPolarHBondContact O-CB 3.44Å; I204-N208 PolarHBondContact O-N 3.06Å; I204-N208 PolarHBondContact O-ND2 3.34Å; R205-N208 PolarHBondContact O-N 3.47Å; N208-M211 VanDerWaalsContact OD1-CE 3.28Å; N208-M211 WeakPolarHBondContact OD1-CE 3.35Å; N208-R212 WeakPolarHBondContact O-CB 3.47Å; N208-R212 VanDerWaalsContact O-CG 3.29Å; N208-R212 WeakPolarHBondContact O-CG 3.46Å; N208-R212 PolarHBondContact O-N 2.96Å
209A91.5Very high83Confident46 Ų46101.4 Ų101.438%0.3855%0.551SS.*Hα-helixtrans-65.5-43174.900000111.5R205 K206 E207 R212 Q213R205-A209 WeakPolarHBondContact O-CB 3.29Å; R205-A209 PolarHBondContact O-N 3.03Å; K206-A209 PolarHBondContact O-N 2.78Å; E207-A209 VanDerWaalsContact C-N 3.33Å; E207-A209 PolarHBondContact O-N 3.28Å; A209-R212 PolarHBondContact O-N 3.01Å; A209-Q213 WeakPolarHBondContact O-CG 3.48Å; A209-Q213 PolarHBondContact O-N 3.27Å
210A90.6Very high80.8Confident58 Ų58106.4 Ų106.448%0.47957%0.566SS.*Hα-helixtrans-63.4-43.6175.800000112.2K206 E207 R212 Q213 G214K206-A210 PolarHBondContact O-N 3.48Å; E207-A210 PolarHBondContact O-N 3.45Å; A210-R212 VanDerWaalsContact C-N 3.31Å; A210-R212 PolarHBondContact O-N 2.84Å; A210-Q213 PolarHBondContact O-N 3.38Å; A210-G214 PolarHBondContact O-N 3.38Å
211M85.8Confident78.5Confident112 Ų112112.1 Ų112.155%0.55259%0.593SS**Hα-helixtrans-60.9-39.7175-73.8-171.8-72.900112.1E207 N208 G214 L215E207-M211 WeakPolarHBondContact O-CG 3.35Å; E207-M211 PolarHBondContact O-N 2.89Å; N208-M211 VanDerWaalsContact OD1-CE 3.28Å; N208-M211 WeakPolarHBondContact OD1-CE 3.35Å; M211-G214 PolarHBondContact O-N 2.89Å; M211-L215 WeakPolarHBondContact O-CG 3.32Å; M211-L215 PolarHBondContact O-N 2.98Å
212R85.8Confident76.3Confident181 Ų181113.3 Ų113.368%0.68361%0.608SS**Hα-helixtrans-66.6-39.8176.1-75.2173.8179-88.2-1.5112.6N208 A209 A210 G214 L215 T216N208-R212 WeakPolarHBondContact O-CB 3.47Å; N208-R212 VanDerWaalsContact O-CG 3.29Å; N208-R212 WeakPolarHBondContact O-CG 3.46Å; N208-R212 PolarHBondContact O-N 2.96Å; A209-R212 PolarHBondContact O-N 3.01Å; A210-R212 VanDerWaalsContact C-N 3.31Å; A210-R212 PolarHBondContact O-N 2.84Å; R212-G214 VanDerWaalsContact C-N 3.32Å; R212-G214 PolarHBondContact O-N 3.5Å; R212-L215 PolarHBondContact O-N 3.41Å; R212-T216 PolarHBondContact O-N 3.48Å; R212-T216 PolarHBondContact O-OG1 3.02Å
213Q84.3Confident74.1Confident140 Ų140116 Ų11665%0.65462%0.623SS**Hα-helixtrans-64.1-37.5176-73.8175.6-3.700112.1A209 A210 L215 T216 G217A209-Q213 WeakPolarHBondContact O-CG 3.48Å; A209-Q213 PolarHBondContact O-N 3.27Å; A210-Q213 PolarHBondContact O-N 3.38Å; Q213-L215 VanDerWaalsContact C-N 3.27Å; Q213-L215 PolarHBondContact O-N 3.29Å; Q213-T216 PolarHBondContact O-N 3.31Å; Q213-T216 PolarHBondContact O-OG1 2.96Å; Q213-G217 PolarHBondContact O-N 3.32Å
214G79.9Confident72Confident54 Ų54118.5 Ų118.556%0.55764%0.643SS**Hα-helixtrans-64.6-28.4174.200000113.9A210 M211 R212A210-G214 PolarHBondContact O-N 3.38Å; M211-G214 PolarHBondContact O-N 2.89Å; R212-G214 VanDerWaalsContact C-N 3.32Å; R212-G214 PolarHBondContact O-N 3.5Å
215L71Confident69.8Low147 Ų147120.4 Ų120.477%0.7766%0.663SS**Hα-helixtrans-83.7-22.6177.7-70.4169.2000113.5M211 R212 Q213M211-L215 WeakPolarHBondContact O-CG 3.32Å; M211-L215 PolarHBondContact O-N 2.98Å; R212-L215 PolarHBondContact O-N 3.41Å; Q213-L215 VanDerWaalsContact C-N 3.27Å; Q213-L215 PolarHBondContact O-N 3.29Å
216T66.2Low67.6Low105 Ų105117.7 Ų117.764%0.64467%0.671SS**Hα-helixtrans-94-4.8179.153.50000113.7R212 Q213 D218R212-T216 PolarHBondContact O-N 3.48Å; R212-T216 PolarHBondContact O-OG1 3.02Å; Q213-T216 PolarHBondContact O-N 3.31Å; Q213-T216 PolarHBondContact O-OG1 2.96Å; T216-D218 PolarHBondContact O-N 3.2Å
217G56.5Low65.7Low58 Ų58119.2 Ų119.260%0.59868%0.678SS**THydrogen-bonded Turntrans-75.9-15.1-175.600000115.8Q213Q213-G217 PolarHBondContact O-N 3.32Å
218D51.4Low63.2Low152 Ų152120.1 Ų120.181%0.81369%0.691SS**THydrogen-bonded Turntrans-112.615-172-68.7-25.5000114.1T216T216-D218 PolarHBondContact O-N 3.2Å
219S51.2Low61.5Low99 Ų99126.3 Ų126.369%0.69272%0.718SS**SBendtrans-120.991175.7-71.40000111.8
220E47.8Very low59.3Low177 Ų177131.8 Ų131.883%0.82774%0.735SS**  trans48.5106.7138.9-61.2-173.2151.800117.7S222E220-S222 PolarHBondContact O-N 3.41Å
221E45.7Very low57.3Low205 Ų205138.3 Ų138.396%0.95876%0.756SS**  trans-37.4104.2142.2-61.5179.9136.300111.8
222S46.6Very low55.2Low106 Ų106138 Ų13874%0.74176%0.76SS**  trans-152105143.865.50000110.8E220E220-S222 PolarHBondContact O-N 3.41Å
223S48.3Very low53.7Low112 Ų112136.1 Ų136.178%0.78377%0.769SS**  trans2.2122.2143.6-51.60000116.8
224I51.2Low51.9Low165 Ų165137.7 Ų137.785%0.84678%0.776SS**  -174.8123.8109.8-87.3150000109.9
225S45.6Very low50Low105 Ų105143.6 Ų143.673%0.73479%0.79SS**  trans-38127167.2166.60000115.6
226S47.8Very low48.7Very low122 Ų122142.2 Ų142.285%0.85379%0.789SS**  trans-153.1127.2141.4-76.50000109.9
227K53Low47.6Very low198 Ų198141.4 Ų141.486%0.86179%0.793SS**  trans-71.6148.2-165.3-153.3174.4-175.2-178.30112.3
228P40.8Very low47.1Very low108 Ų108148 Ų14870%0.70181%0.809SS**  trans-86.9136.217333.4-29000111.2Q230P228-Q230 PolarHBondContact O-N 3.45Å
229E51.1Low46.9Very low202 Ų202145.4 Ų145.494%0.94480%0.802SS**  trans-77.2113.6161.5-82.2178.4151.200108.8
230Q45.5Very low46.8Very low161 Ų161149.4 Ų149.475%0.75281%0.812SS**  trans-91.3116164-74.6177.6-70.300108.1P228 T232P228-Q230 PolarHBondContact O-N 3.45Å; Q230-T232 HydrophobicContact CB-CG2 4.46Å; Q230-T232 PolarHBondContact O-N 2.95Å
231E46.8Very low46.8Very low195 Ų195145.7 Ų145.791%0.91181%0.812SS**  trans-84.698.2153.1-88.4-175.815000107.8
232T42.1Very low46.8Very low105 Ų105141 Ų14164%0.64481%0.808SS**  trans-96.8116.5161.845.80000107.7Q230Q230-T232 HydrophobicContact CB-CG2 4.46Å; Q230-T232 PolarHBondContact O-N 2.95Å
233V54.4Low46.6Very low143 Ų143139.5 Ų139.587%0.86781%0.81SS**  trans-107.7104.6162.5179.10000106.6
234E47Very low46.5Very low173 Ų173140.4 Ų140.481%0.80881%0.813SS**  trans-87.5131.1165.5-69.8-176.9153.800109
235E40.4Very low46.4Very low178 Ų178137.8 Ų137.883%0.83281%0.809SS**  trans32.9155.5136.4-72.7-142.1156.500121.7
236P43.6Very low46.5Very low117 Ų117138 Ų13876%0.7681%0.811SS**  cis-144.4170.534.334.8-11.1000117.4
237A42.5Very low46.4Very low89 Ų89136.7 Ų136.774%0.73681%0.807SS**  trans-66.6136.516800000112
238E46.2Very low46.2Very low197 Ų197134.5 Ų134.592%0.92181%0.81SS**  trans-154152.7145.8-115.7174.4-166.500111.9
239S47.2Very low46.3Very low97 Ų97132.5 Ų132.568%0.67881%0.809SS**  trans-81.4161.9-15556.80000117.1
240M49.8Very low46.3Very low183 Ų183133.4 Ų133.490%0.90181%0.81SS**  trans74.4109.3143.6-60.5-110.4156.400119.9
241A47.9Very low46.1Very low98 Ų98129.2 Ų129.281%0.8181%0.81SS**  151.2122.4113.400000114.1
242A45.8Very low46.2Very low106 Ų106129.8 Ų129.888%0.87680%0.804SS**  trans26.4129.4146.300000123.1
243G42Very low46.6Very low76 Ų76134.4 Ų134.478%0.78481%0.81SS**  103.7116.6127.100000117.9
244P46.4Very low45.9Very low131 Ų131135.7 Ų135.785%0.85181%0.812SS**  trans-104.8152.3-170.738.2-30.4000114.2
245S49.4Very low46Very low109 Ų109132.3 Ų132.376%0.76281%0.813SS**  trans-160.3114.3157.547.80000113.3
246S47.7Very low46.2Very low110 Ų110135.5 Ų135.577%0.76982%0.818SS**  trans50.1120139.164.90000122.5
247A44.7Very low46.6Very low94 Ų94141.6 Ų141.678%0.77783%0.826SS**  68.4105.1127.200000120.2
248T49.2Very low46.8Very low152 Ų152147.3 Ų147.393%0.93383%0.834SS**  trans-167.4128.6138.426.70000104.5
249G42.1Very low47.1Very low66 Ų66147.9 Ų147.968%0.6883%0.833SS**  105.7120.450.100000108.2
250K51.9Low47.4Very low221 Ų221154.4 Ų154.496%0.96184%0.843SS**  trans93.5120.1163.6-53171.6-178.5176.70116.5
251G40.2Very low46.9Very low73 Ų73151.8 Ų151.875%0.75384%0.839SS**  trans-98-161.1-172.800000114.7
252R49.5Very low46.9Very low207 Ų207155 Ų15578%0.78184%0.841SS**  trans-176.7131.4155.6-108.1171.8169.5-156.1-1111.6
253R50.9Low47.1Very low203 Ų203154.7 Ų154.777%0.76683%0.833SS**  trans78.796.5141.1-65.7173.5179.2-175-3.2119.3
254N39.6Very low46.7Very low169 Ų169158.1 Ų158.190%0.90483%0.833SS**  trans-64.5130.1153.4-76.9-28.4000111.6
255A49Very low46.8Very low102 Ų102159.1 Ų159.184%0.84383%0.831SS**  trans-121.698.7160.700000109.4R257A255-R257 PolarHBondContact O-N 3.27Å
256R45.5Very low46.4Very low246 Ų246161.4 Ų161.493%0.92883%0.834SS**  trans-65.9118.4169.8-90.1173.8155.8-177.5-5.8109.6
257R50.9Low46.6Very low245 Ų245163.4 Ų163.493%0.92583%0.832SS**  trans-121117155.6-100.8-177.3155-162.5-5.7110A255A255-R257 PolarHBondContact O-N 3.27Å
258K48.1Very low46.5Very low209 Ų209167.1 Ų167.191%0.90983%0.833SS**PPolyproline II helixtrans-58.4124.7-177.3-67.2168.6174.91750111
259K52.3Low46.4Very low209 Ų209169.3 Ų169.391%0.90983%0.825SS**PPolyproline II helixtrans-96.8123.8157.8-80.6-179.8176.6177.90108.2
260R53Low46.7Very low234 Ų234173.8 Ų173.888%0.88383%0.828SS**PPolyproline II helixtrans-77.3148.3169.8-80-179.5160.7-150-3.2109.7
261P38.8Very low46.8Very low127 Ų127170.3 Ų170.383%0.82582%0.819SS**PPolyproline II helixtrans-78.8134178.331.1-29.7000110.2
262I48.4Very low47.6Very low165 Ų165177.4 Ų177.485%0.84682%0.823SS**PPolyproline II helixtrans-97.9121.2167.2-62.4175.3000106.4
263S50Low47.3Very low101 Ų101174.8 Ų174.871%0.70683%0.825SS**PPolyproline II helixtrans-64137.2177.744.30000112L265S263-L265 PolarHBondContact O-N 3.33Å
264N34.2Very low47.7Very low148 Ų148172.4 Ų172.479%0.79183%0.827SS**PPolyproline II helixtrans-56.2126164.9-77.4-25.4000110.4
265L48.2Very low48.5Very low152 Ų152173.3 Ų173.380%0.79683%0.826SS**  trans-130.8104.9152.2-86.8165.6000105.8S263 E267S263-L265 PolarHBondContact O-N 3.33Å; L265-E267 PolarHBondContact O-N 2.91Å
266D40.6Very low48.3Very low156 Ų156176.3 Ų176.383%0.83483%0.828SS**  trans-64.9106.4165.3-64.4-56.2000107.4
267E50.9Low48.8Very low153 Ų153172.6 Ų172.672%0.71583%0.827SS**  trans-110.9107.1166.1-85.6-171.8163.900109.1L265 Y269L265-E267 PolarHBondContact O-N 2.91Å; E267-Y269 PolarHBondContact O-N 3.07Å
268E43.4Very low48.7Very low171 Ų171169.2 Ų169.280%0.79982%0.821SS**  trans-64.8101.9175.1-167.8171.1-148.500109.8H270E268-H270 PolarHBondContact O-N 3.14Å
269Y47Very low48.6Very low199 Ų199164.5 Ų164.578%0.7882%0.815SS**  trans-87.896.9172.7-101.7-96000110.1E267 L271E267-Y269 PolarHBondContact O-N 3.07Å; Y269-L271 PolarHBondContact O-N 2.75Å
270H47.2Very low48.3Very low159 Ų159162.4 Ų162.474%0.73681%0.814SS**  trans-74.5101.5160.7-85.6-65.1000109.6E268E268-H270 PolarHBondContact O-N 3.14Å
271L55.3Low48Very low148 Ų148156 Ų15678%0.77580%0.803SS**  trans-83.9110.4162-83.4156.1000107.8Y269Y269-L271 PolarHBondContact O-N 2.75Å
272R56Low47.8Very low222 Ų222159.9 Ų159.984%0.83881%0.806SS**  trans-80.8125.4162.5-71.9-175.3177.2-157.2-1.9107.5D274R272-D274 PolarHBondContact O-N 3.4Å
273D43.1Very low48Very low152 Ų152161.2 Ų161.281%0.81381%0.809SS**  trans-69.8114.6165.7-62.3-51.8000107.4
274D60.6Low47.7Very low153 Ų153160 Ų16082%0.81881%0.812SS**  trans-115.7116.7164.7-76.8-52.4000107.5R272R272-D274 PolarHBondContact O-N 3.4Å
275E55.8Low47.8Very low188 Ų188162.5 Ų162.588%0.87982%0.817SS**  trans-66.9155.3-179.1-62.4-179.4136.200111.4
276D45.2Very low47.3Very low165 Ų165160 Ų16088%0.88281%0.812SS**  trans-53.9131.1176.4-58.9-70.3000112.2
277D55.6Low46.9Very low168 Ų168160.4 Ų160.490%0.89881%0.811SS**  trans-144.5135.4150.3-132.4-21.5000112.1
278E49.1Very low46.7Very low174 Ų174158.9 Ų158.981%0.81381%0.812SS**  trans-74161-176.1-76.5-154.7131.300112.5
279S46Very low46.4Very low111 Ų111158.1 Ų158.178%0.77681%0.813SS**  trans73.2102.4156510000119.8
280D46.4Very low46Very low165 Ų165160.6 Ų160.688%0.88282%0.821SS**  -166.5149.9117.1-121.2-10.7000112.6
281P45.2Very low45.8Very low100 Ų100158 Ų15865%0.64982%0.82SS**  trans-94.9141-17535.3-27.6000113.1
282F36.5Very low44.8Very low207 Ų207154.3 Ų154.391%0.90882%0.818SS**  trans68.488.3162.6-84.7-95.6000117.9
283E52.1Low44.3Very low193 Ų193150.8 Ų150.890%0.90282%0.821SS**  trans-110.6126149.5-78.3-166.5148.700110.3
284G43.5Very low44Very low75 Ų75147.6 Ų147.677%0.77382%0.824SS**  trans-65.9142.9-175.100000113.5S286G284-S286 PolarHBondContact O-N 3.24Å
285F36Very low43Very low201 Ų201144.9 Ų144.988%0.88282%0.823SS**  trans-64.9113.8173.2-83.4-93.3000111.1
286S36.9Very low42.3Very low101 Ų101147.7 Ų147.771%0.70683%0.825SS**  trans-88.4107.4167.2168.30000109.3G284G284-S286 PolarHBondContact O-N 3.24Å
287M32.8Very low42Very low164 Ų164144.5 Ų144.581%0.80882%0.822SS**  trans-95.2107.5166.2-83.5-171.668.300109.4
288T46.2Very low41.3Very low120 Ų120143.3 Ų143.374%0.73682%0.815SS**  trans-97.4105.7166.137.50000109.4R290T288-R290 PolarHBondContact O-N 2.98Å
289L37.9Very low40.8Very low155 Ų155146.6 Ų146.681%0.81282%0.82SS**  trans-77.3112.5166.1-79.4160.7000108.3S291L289-S291 PolarHBondContact O-N 3.43Å
290R39.5Very low40.7Very low252 Ų252150.2 Ų150.295%0.95182%0.817SS**  trans-77.694.4172.7-77.7-177.2177.1-128.41.7109.6T288T288-R290 PolarHBondContact O-N 2.98Å
291S41.3Very low40.5Very low104 Ų104147 Ų14773%0.72781%0.814SS**  trans-102.9131.1149.664.60000108.2L289L289-S291 PolarHBondContact O-N 3.43Å
292G36.1Very low40.2Very low71 Ų71151.6 Ų151.673%0.73282%0.824SS**SBendtrans-55.8161175.200000112.1
293V44.5Very low40.4Very low148 Ų148146.7 Ų146.790%0.89782%0.816SS**SBendtrans88.3112-173.2-161.80000112.7
294G36.3Very low39.9Very low85 Ų85142.6 Ų142.688%0.87681%0.808SS**  trans-60140.3-162.400000115.4
295A40Very low39.8Very low95 Ų95146 Ų14679%0.78581%0.809SS**  trans-132124.4170.100000110A297A295-A297 PolarHBondContact O-N 3.4Å
296R41Very low40Very low248 Ų248141.1 Ų141.194%0.93681%0.805SS**  trans-56.5124.2164.4-91.3172.9161.7167.4-5.9108.7L298R296-L298 PolarHBondContact O-N 3.46Å; R296-L298 VanDerWaalsContact O-N 3.08Å
297A39.1Very low40.1Very low98 Ų98145.5 Ų145.581%0.8181%0.814SS**  trans-65.1106.5173.200000110.4A295A295-A297 PolarHBondContact O-N 3.4Å
298L39.9Very low40.7Very low142 Ų142149.1 Ų149.174%0.74382%0.819SS**  trans-81.3108.7161.7-81.6165.2000107.7R296 Y300R296-L298 PolarHBondContact O-N 3.46Å; R296-L298 VanDerWaalsContact O-N 3.08Å; L298-Y300 HydrophobicContact CB-CD2 4.37Å; L298-Y300 HydrophobicContact CB-CE2 4.31Å; L298-Y300 PolarHBondContact O-N 3.44Å
299R38.8Very low40.7Very low244 Ų244149.3 Ų149.392%0.92182%0.822SS**  trans-75.7112.2168.5-64.4-171.9-157.9-167.65108.3
300Y44Very low41.4Very low186 Ų186151.8 Ų151.873%0.72983%0.827SS**  trans-102.6112.9161.2-85.2-85.3000108.3L298L298-Y300 HydrophobicContact CB-CD2 4.37Å; L298-Y300 HydrophobicContact CB-CE2 4.31Å; L298-Y300 PolarHBondContact O-N 3.44Å
301A43.4Very low42Very low97 Ų97149.6 Ų149.680%0.80282%0.824SS**  trans-85.5110.7165.400000107.8S303A301-S303 PolarHBondContact O-N 2.96Å
302F37.9Very low42.8Very low197 Ų197149.5 Ų149.586%0.86483%0.83SS**  trans-77.997.9160.5-84.1-87000107.2S304F302-S304 PolarHBondContact O-N 2.95Å
303S41.8Very low43.9Very low105 Ų105157.7 Ų157.773%0.73484%0.839SS**  trans-81.891.5170.3-171.60000108.5A301 D305A301-S303 PolarHBondContact O-N 2.96Å; S303-D305 VanDerWaalsContact C-N 3.28Å; S303-D305 PolarHBondContact O-N 3.06Å
304S40.5Very low44.2Very low107 Ų107162.3 Ų162.375%0.74884%0.84SS**  trans-88.570.3163.950.70000108.7F302F302-S304 PolarHBondContact O-N 2.95Å
305D42.9Very low45.1Very low146 Ų146171.9 Ų171.978%0.78186%0.857SS**  trans-174.2148.3160.6-95.9-35.1000111.3S303S303-D305 VanDerWaalsContact C-N 3.28Å; S303-D305 PolarHBondContact O-N 3.06Å
306A39.2Very low45.3Very low98 Ų98175.8 Ų175.881%0.8186%0.861SS**  trans8967.216700000119.6
307Q39Very low45.5Very low193 Ų193171.9 Ų171.990%0.90286%0.857SS**  trans-116.993.9139.7-84.4-172.4-800110.5
308R45.1Very low45.9Very low240 Ų240176.1 Ų176.191%0.90686%0.86SS**  trans-139.6105.2150.4-93.9-168.9172-140.8-0.5109.2K310R308-K310 PolarHBondContact O-N 3.49Å
309P47.4Very low46.2Very low124 Ų124178.1 Ų178.181%0.80587%0.866SS**  trans-71.9124.9172.827.2-29.1000109.7K311P309-K311 PolarHBondContact O-N 3.18Å
310K51Low46.7Very low207 Ų207173.9 Ų173.990%0.986%0.863SS**  trans-62.9121.9171.5-70.4-179.7178.5176.20109.1R308 A312R308-K310 PolarHBondContact O-N 3.49Å; K310-A312 PolarHBondContact O-N 2.86Å; K310-A312 VanDerWaalsContact O-N 3.16Å
311K53.7Low46.9Very low206 Ų206173.1 Ų173.190%0.89687%0.872SS**  trans-65.2107167.1-69.6-178.9179.6-179.20108.7P309 R313P309-K311 PolarHBondContact O-N 3.18Å; K311-R313 PolarHBondContact O-N 3.36Å
312A57.3Low47.1Very low102 Ų102178.6 Ų178.684%0.84388%0.877SS**PPolyproline II helixtrans-73117.7162.800000108.4K310K310-A312 PolarHBondContact O-N 2.86Å; K310-A312 VanDerWaalsContact O-N 3.16Å
313R59.8Low47.9Very low244 Ų244177.2 Ų177.292%0.92188%0.878SS**PPolyproline II helixtrans-94.1126.5176.8-160.2177.1160.8-166.3-6.7107.6K311K311-R313 PolarHBondContact O-N 3.36Å
314R50.5Low48.4Very low245 Ų245183.2 Ų183.293%0.92589%0.89SS**PPolyproline II helixtrans-54.7134.8175.7-75.1174.7161.1-175.4-6.7112.1
315K53.9Low49.1Very low286 Ų286190.1 Ų190.1100%1.24390%0.903SS**  trans-138.40137.8-99.4-171.1177.3-176.40107

Retrieved 315 of 315 residues in 212.9 ms (Link to these results)