| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 56.2 | Low | 59.5 | Low | 57 Ų | 57 | 60.5 Ų | 60.5 | 28% | 0.281 | 30% | 0.296 | S | S | . | . | 0 | -65.2 | 0 | 179.1 | -175.4 | 167.9 | 0 | 0 | 109.7 | E3 D4 M5 V27 Y30 | M1-E3 VanDerWaalsContact C-N 3.25Å; M1-E3 PolarHBondContact N-OE2 2.68Å; M1-E3 PolarHBondContact O-N 2.74Å; M1-D4 WeakPolarHBondContact O-CA 3.37Å; M1-D4 VanDerWaalsContact O-CB 3.31Å; M1-D4 WeakPolarHBondContact O-CB 3.35Å; M1-D4 PolarHBondContact O-N 2.7Å; M1-M5 HydrophobicContact CE-SD 4.13Å; M1-M5 WeakPolarHBondContact O-CG 3.26Å; M1-M5 PolarHBondContact O-N 2.98Å; M1-V27 HydrophobicContact SD-CB 4.46Å; M1-V27 HydrophobicContact SD-CG2 3.78Å; M1-Y30 HydrophobicContact CB-CD1 4.37Å; M1-Y30 HydrophobicContact CB-CE1 4.29Å; M1-Y30 HydrophobicContact CE-CD1 4.44Å; M1-Y30 HydrophobicContact CE-CD2 3.8Å; M1-Y30 HydrophobicContact CE-CG 3.7Å; M1-Y30 HydrophobicContact CG-CD1 3.76Å; M1-Y30 HydrophobicContact CG-CD2 4.26Å; M1-Y30 HydrophobicContact CG-CE1 3.88Å; M1-Y30 HydrophobicContact CG-CE2 4.37Å; M1-Y30 HydrophobicContact CG-CG 3.95Å; M1-Y30 HydrophobicContact SD-CD1 3.88Å; M1-Y30 HydrophobicContact SD-CD2 4.31Å; M1-Y30 HydrophobicContact SD-CG 3.71Å | |||
| 2 | M | 56.7 | Low | 60.2 | Low | 60 Ų | 60 | 55.6 Ų | 55.6 | 30% | 0.296 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -31.4 | 178.2 | -69.1 | -173.7 | -61.7 | 0 | 0 | 111.6 | D4 M5 K12 L15 R16 | M2-D4 PolarHBondContact O-N 3.33Å; M2-M5 PolarHBondContact O-N 2.88Å; M2-K12 VanDerWaalsContact O-CE 3.23Å; M2-K12 WeakPolarHBondContact O-CE 3.16Å; M2-L15 HydrophobicContact SD-CB 3.82Å; M2-R16 HydrophobicContact CE-CG 3.88Å; M2-R16 HydrophobicContact SD-CG 4.34Å |
| 3 | E | 54.1 | Low | 60.7 | Low | 134 Ų | 134 | 55.4 Ų | 55.4 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -30.6 | 170.8 | -48.3 | 92.2 | 165.1 | 0 | 0 | 112.6 | M1 T943 | M1-E3 VanDerWaalsContact C-N 3.25Å; M1-E3 PolarHBondContact N-OE2 2.68Å; M1-E3 PolarHBondContact O-N 2.74Å; E3-T943 WeakPolarHBondContact O-CG2 3.13Å; E3-T943 PolarHBondContact O-OG1 2.56Å |
| 4 | D | 53.9 | Low | 61.3 | Low | 55 Ų | 55 | 56 Ų | 56 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -10.2 | -173.6 | -165.9 | 29.8 | 0 | 0 | 0 | 112 | M1 M2 Y30 P79 | M1-D4 WeakPolarHBondContact O-CA 3.37Å; M1-D4 VanDerWaalsContact O-CB 3.31Å; M1-D4 WeakPolarHBondContact O-CB 3.35Å; M1-D4 PolarHBondContact O-N 2.7Å; M2-D4 PolarHBondContact O-N 3.33Å; D4-Y30 PolarHBondContact OD2-OH 3.37Å; D4-P79 VanDerWaalsContact O-CA 3.31Å; D4-P79 WeakPolarHBondContact O-CA 3.45Å; D4-P79 WeakPolarHBondContact OD1-CB 3.44Å |
| 5 | M | 63.8 | Low | 61.7 | Low | 46 Ų | 46 | 54.5 Ų | 54.5 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -93.3 | 131.6 | 178.9 | -70.1 | -177.7 | 75.2 | 0 | 0 | 111.7 | M1 M2 L7 T943 | M1-M5 HydrophobicContact CE-SD 4.13Å; M1-M5 WeakPolarHBondContact O-CG 3.26Å; M1-M5 PolarHBondContact O-N 2.98Å; M2-M5 PolarHBondContact O-N 2.88Å; M5-L7 HydrophobicContact CB-CD1 4.29Å; M5-L7 HydrophobicContact CB-CG 4.39Å; M5-L7 HydrophobicContact CE-CD1 3.93Å; M5-L7 PolarHBondContact O-N 3.03Å; M5-T943 WeakPolarHBondContact O-CB 3.29Å; M5-T943 WeakPolarHBondContact O-CG2 3.34Å; M5-T943 PolarHBondContact O-OG1 2.65Å |
| 6 | N | 60.5 | Low | 62.4 | Low | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -72.5 | 57.6 | -175.2 | -164.8 | 16.5 | 0 | 0 | 0 | 114.2 | L75 A124 N127 | N6-L75 PolarHBondContact ND2-O 2.87Å; N6-A124 PolarHBondContact ND2-O 3.04Å; N6-N127 PolarHBondContact O-ND2 3.25Å; N6-N127 VanDerWaalsContact OD1-C 3.26Å; N6-N127 WeakPolarHBondContact OD1-CB 3.21Å; N6-N127 PolarHBondContact OD1-O 2.74Å |
| 7 | L | 64 | Low | 63.1 | Low | 39 Ų | 39 | 64.4 Ų | 64.4 | 20% | 0.204 | 32% | 0.316 | C | S | . | . | trans | -130.9 | 150.8 | -172.2 | -61.5 | 176.9 | 0 | 0 | 0 | 111.8 | M5 K11 K12 T943 | M5-L7 HydrophobicContact CB-CD1 4.29Å; M5-L7 HydrophobicContact CB-CG 4.39Å; M5-L7 HydrophobicContact CE-CD1 3.93Å; M5-L7 PolarHBondContact O-N 3.03Å; L7-K11 HydrophobicContact CB-CB 4.21Å; L7-K11 HydrophobicContact CD1-CB 4.46Å; L7-K11 HydrophobicContact CD2-CD 4.02Å; L7-K12 HydrophobicContact CB-CG 4.42Å; L7-K12 WeakPolarHBondContact O-CE 3.43Å; L7-K12 PolarHBondContact O-NZ 3.46Å; L7-T943 CarbonylContact O-C 3.51Å | ||
| 8 | N | 59.9 | Low | 64 | Low | 12 Ų | 12 | 65.3 Ų | 65.3 | 6% | 0.064 | 32% | 0.318 | C | S | . | . | trans | -80.5 | 166.1 | 171.2 | 71.7 | -39.7 | 0 | 0 | 0 | 112.4 | D10 K11 K12 D947 | N8-D10 VanDerWaalsContact C-N 3.33Å; N8-D10 PolarHBondContact O-N 3.16Å; N8-K11 PolarHBondContact O-N 3.14Å; N8-K11 WeakPolarHBondContact OD1-CD 3.49Å; N8-K11 WeakPolarHBondContact OD1-CE 3.29Å; N8-K11 VanDerWaalsContact OD1-CG 3.26Å; N8-K11 WeakPolarHBondContact OD1-CG 3.4Å; N8-K11 PolarHBondContact OD1-NZ 3.44Å; N8-K12 PolarHBondContact O-N 3.46Å; N8-D947 HydrophobicContact CB-CB 4.04Å | ||
| 9 | E | 64.3 | Low | 64.7 | Low | 60 Ų | 60 | 66.2 Ų | 66.2 | 28% | 0.28 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.9 | -37.7 | -174 | -94.3 | -57 | 103.4 | 0 | 0 | 114 | K11 K12 T13 R16 | E9-K11 PolarHBondContact O-N 3.25Å; E9-K11 VanDerWaalsContact O-N 3.13Å; E9-K12 CarbonylContact O-C 3.47Å; E9-K12 WeakPolarHBondContact O-CA 3.45Å; E9-K12 WeakPolarHBondContact O-CB 3.24Å; E9-K12 PolarHBondContact O-N 3.07Å; E9-K12 WeakPolarHBondContact OE1-CB 3.18Å; E9-K12 WeakPolarHBondContact OE1-CD 3.43Å; E9-T13 PolarHBondContact O-N 3.13Å; E9-T13 PolarHBondContact O-OG1 2.96Å; E9-T13 VanDerWaalsContact O-OG1 3.11Å; E9-R16 IonicContact OE1-CZ 3.15Å; E9-R16 IonicContact OE1-NE 3.86Å; E9-R16 IonicContact OE1-NH2 2.72Å; E9-R16 PolarHBondContact OE1-NH2 3.11Å; E9-R16 IonicContact OE2-CZ 3.12Å; E9-R16 VanDerWaalsContact OE2-CZ 3.27Å; E9-R16 IonicContact OE2-NE 2.69Å; E9-R16 PolarHBondContact OE2-NE 2.99Å; E9-R16 IonicContact OE2-NH2 3.96Å; E9-R16 PolarHBondContact OE2-NH2 2.92Å |
| 10 | D | 57.5 | Low | 65.2 | Low | 106 Ų | 106 | 68.7 Ų | 68.7 | 57% | 0.567 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.8 | -18 | 178.6 | -78.4 | 15.3 | 0 | 0 | 0 | 114.1 | N8 T13 P14 | N8-D10 VanDerWaalsContact C-N 3.33Å; N8-D10 PolarHBondContact O-N 3.16Å; D10-T13 WeakPolarHBondContact CA-OG1 3.46Å; D10-T13 PolarHBondContact O-OG1 3.42Å; D10-P14 WeakPolarHBondContact O-CD 3.43Å |
| 11 | K | 63.9 | Low | 65.6 | Low | 93 Ų | 93 | 70.7 Ų | 70.7 | 40% | 0.404 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -92.4 | -20.9 | 170.6 | -63.6 | 167.6 | -160.2 | 156.9 | 0 | 111.7 | L7 N8 E9 L15 D947 | L7-K11 HydrophobicContact CB-CB 4.21Å; L7-K11 HydrophobicContact CD1-CB 4.46Å; L7-K11 HydrophobicContact CD2-CD 4.02Å; N8-K11 PolarHBondContact O-N 3.14Å; N8-K11 WeakPolarHBondContact OD1-CD 3.49Å; N8-K11 WeakPolarHBondContact OD1-CE 3.29Å; N8-K11 VanDerWaalsContact OD1-CG 3.26Å; N8-K11 WeakPolarHBondContact OD1-CG 3.4Å; N8-K11 PolarHBondContact OD1-NZ 3.44Å; E9-K11 PolarHBondContact O-N 3.25Å; E9-K11 VanDerWaalsContact O-N 3.13Å; K11-L15 WeakPolarHBondContact O-CG 3.24Å; K11-D947 IonicContact NZ-OD2 3.58Å; K11-D947 PolarHBondContact NZ-OD2 2.92Å |
| 12 | K | 67.6 | Low | 66.4 | Low | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.009 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -84.4 | -37.8 | 175.5 | -66.6 | 165 | 173.7 | 162.2 | 0 | 111.6 | M2 L7 N8 E9 L15 R16 D941 T943 | M2-K12 VanDerWaalsContact O-CE 3.23Å; M2-K12 WeakPolarHBondContact O-CE 3.16Å; L7-K12 HydrophobicContact CB-CG 4.42Å; L7-K12 WeakPolarHBondContact O-CE 3.43Å; L7-K12 PolarHBondContact O-NZ 3.46Å; N8-K12 PolarHBondContact O-N 3.46Å; E9-K12 CarbonylContact O-C 3.47Å; E9-K12 WeakPolarHBondContact O-CA 3.45Å; E9-K12 WeakPolarHBondContact O-CB 3.24Å; E9-K12 PolarHBondContact O-N 3.07Å; E9-K12 WeakPolarHBondContact OE1-CB 3.18Å; E9-K12 WeakPolarHBondContact OE1-CD 3.43Å; K12-L15 CarbonylContact O-C 3.46Å; K12-L15 WeakPolarHBondContact O-CA 3.35Å; K12-L15 VanDerWaalsContact O-CB 3.3Å; K12-L15 WeakPolarHBondContact O-CB 3.45Å; K12-L15 PolarHBondContact O-N 3.42Å; K12-R16 WeakPolarHBondContact O-CG 3.28Å; K12-R16 PolarHBondContact O-N 3.23Å; K12-D941 IonicContact NZ-OD1 2.82Å; K12-D941 PolarHBondContact NZ-OD1 2.93Å; K12-T943 PolarHBondContact NZ-OG1 2.78Å |
| 13 | T | 66.9 | Low | 67 | Low | 53 Ų | 53 | 70.8 Ų | 70.8 | 33% | 0.325 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -54.3 | -51 | 178.2 | 36.7 | 0 | 0 | 0 | 0 | 114.6 | E9 D10 L15 R16 E17 | E9-T13 PolarHBondContact O-N 3.13Å; E9-T13 PolarHBondContact O-OG1 2.96Å; E9-T13 VanDerWaalsContact O-OG1 3.11Å; D10-T13 WeakPolarHBondContact CA-OG1 3.46Å; D10-T13 PolarHBondContact O-OG1 3.42Å; T13-L15 PolarHBondContact O-N 3.44Å; T13-L15 VanDerWaalsContact O-N 3.09Å; T13-R16 CarbonylContact O-C 3.59Å; T13-R16 WeakPolarHBondContact O-CA 3.43Å; T13-R16 WeakPolarHBondContact O-CB 3.41Å; T13-R16 PolarHBondContact O-N 2.67Å; T13-E17 WeakPolarHBondContact O-CG 3.48Å; T13-E17 PolarHBondContact O-N 3.43Å |
| 14 | P | 69.6 | Low | 67.7 | Low | 64 Ų | 64 | 71.5 Ų | 71.5 | 42% | 0.416 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67 | -10.7 | 175.1 | 27 | -35.9 | 0 | 0 | 0 | 113.7 | D10 K18 | D10-P14 WeakPolarHBondContact O-CD 3.43Å; P14-K18 WeakPolarHBondContact O-CG 3.38Å |
| 15 | L | 66.9 | Low | 68.7 | Low | 33 Ų | 33 | 74.3 Ų | 74.3 | 17% | 0.173 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -88.1 | -35.8 | 167.5 | -55.2 | 177.9 | 0 | 0 | 0 | 111.4 | M2 K11 K12 T13 E17 K18 K23 M26 | M2-L15 HydrophobicContact SD-CB 3.82Å; K11-L15 WeakPolarHBondContact O-CG 3.24Å; K12-L15 CarbonylContact O-C 3.46Å; K12-L15 WeakPolarHBondContact O-CA 3.35Å; K12-L15 VanDerWaalsContact O-CB 3.3Å; K12-L15 WeakPolarHBondContact O-CB 3.45Å; K12-L15 PolarHBondContact O-N 3.42Å; T13-L15 PolarHBondContact O-N 3.44Å; T13-L15 VanDerWaalsContact O-N 3.09Å; L15-E17 PolarHBondContact O-N 3.3Å; L15-K18 HydrophobicContact CD2-CD 4.25Å; L15-K23 VanDerWaalsContact O-CE 3.23Å; L15-K23 WeakPolarHBondContact O-CE 3.31Å; L15-M26 HydrophobicContact CD2-CE 4.03Å; L15-M26 HydrophobicContact CD2-SD 4.4Å |
| 16 | R | 72.7 | Confident | 68.9 | Low | 118 Ų | 118 | 74.8 Ų | 74.8 | 45% | 0.445 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.1 | -24.9 | 168.7 | -61.9 | 173.4 | -168.8 | -87.7 | -1.1 | 112.1 | M2 E9 K12 T13 K23 | M2-R16 HydrophobicContact CE-CG 3.88Å; M2-R16 HydrophobicContact SD-CG 4.34Å; E9-R16 IonicContact OE1-CZ 3.15Å; E9-R16 IonicContact OE1-NE 3.86Å; E9-R16 IonicContact OE1-NH2 2.72Å; E9-R16 PolarHBondContact OE1-NH2 3.11Å; E9-R16 IonicContact OE2-CZ 3.12Å; E9-R16 VanDerWaalsContact OE2-CZ 3.27Å; E9-R16 IonicContact OE2-NE 2.69Å; E9-R16 PolarHBondContact OE2-NE 2.99Å; E9-R16 IonicContact OE2-NH2 3.96Å; E9-R16 PolarHBondContact OE2-NH2 2.92Å; K12-R16 WeakPolarHBondContact O-CG 3.28Å; K12-R16 PolarHBondContact O-N 3.23Å; T13-R16 CarbonylContact O-C 3.59Å; T13-R16 WeakPolarHBondContact O-CA 3.43Å; T13-R16 WeakPolarHBondContact O-CB 3.41Å; T13-R16 PolarHBondContact O-N 2.67Å; R16-K23 VanDerWaalsContact O-CE 3.26Å; R16-K23 WeakPolarHBondContact O-CE 3.5Å; R16-K23 PolarHBondContact O-NZ 3.29Å |
| 17 | E | 75.2 | Confident | 69.1 | Low | 160 Ų | 160 | 77.6 Ų | 77.6 | 75% | 0.748 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -88.9 | -19.2 | -179.4 | -72.7 | -178.6 | 166 | 0 | 0 | 115.5 | T13 L15 | T13-E17 WeakPolarHBondContact O-CG 3.48Å; T13-E17 PolarHBondContact O-N 3.43Å; L15-E17 PolarHBondContact O-N 3.3Å |
| 18 | K | 77.6 | Confident | 69.1 | Low | 80 Ų | 80 | 81.1 Ų | 81.1 | 35% | 0.348 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -57.3 | 155.8 | 178.5 | -75.1 | 174.7 | -178.5 | -175.9 | 0 | 112.9 | P14 L15 T22 K23 M26 | P14-K18 WeakPolarHBondContact O-CG 3.38Å; L15-K18 HydrophobicContact CD2-CD 4.25Å; K18-T22 HydrophobicContact CD-CG2 3.97Å; K18-K23 HydrophobicContact CB-CG 4.23Å; K18-K23 WeakPolarHBondContact O-CD 3.42Å; K18-K23 WeakPolarHBondContact O-CE 3.47Å; K18-K23 PolarHBondContact O-NZ 3.01Å; K18-M26 HydrophobicContact CD-SD 3.97Å; K18-M26 PolarHBondContact NZ-SD 2.68Å |
| 19 | D | 79.1 | Confident | 69.2 | Low | 83 Ų | 83 | 86 Ų | 86 | 44% | 0.444 | 42% | 0.421 | S | S | . | . | trans | -65.9 | 164.3 | 177.7 | 73.2 | -81.3 | 0 | 0 | 0 | 112.6 | N21 T22 K23 | D19-N21 VanDerWaalsContact C-N 3.29Å; D19-N21 PolarHBondContact O-N 3.49Å; D19-N21 WeakPolarHBondContact OD2-CA 3.32Å; D19-N21 WeakPolarHBondContact OD2-CB 3.42Å; D19-N21 PolarHBondContact OD2-N 3.3Å; D19-T22 PolarHBondContact O-N 3.42Å; D19-T22 WeakPolarHBondContact OD1-CB 3.45Å; D19-T22 PolarHBondContact OD1-OG1 3.3Å; D19-T22 PolarHBondContact OD2-N 2.73Å; D19-K23 WeakPolarHBondContact O-CB 3.46Å; D19-K23 WeakPolarHBondContact O-CG 3.35Å; D19-K23 PolarHBondContact O-N 3.31Å | ||
| 20 | L | 73.4 | Confident | 69.1 | Low | 116 Ų | 116 | 86 Ų | 86 | 61% | 0.607 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67.1 | -23.8 | -176 | -107.9 | 161.8 | 0 | 0 | 0 | 114.2 | R24 | L20-R24 WeakPolarHBondContact O-CB 3.35Å; L20-R24 WeakPolarHBondContact O-CD 3.21Å; L20-R24 WeakPolarHBondContact O-CG 3.47Å; L20-R24 PolarHBondContact O-N 3.37Å; L20-R24 VanDerWaalsContact O-N 3.12Å |
| 21 | N | 73.9 | Confident | 69 | Low | 110 Ų | 110 | 85.5 Ų | 85.5 | 59% | 0.588 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -82.2 | -46.7 | 177.1 | -67 | -24.1 | 0 | 0 | 0 | 110.6 | D19 K23 R24 E25 | D19-N21 VanDerWaalsContact C-N 3.29Å; D19-N21 PolarHBondContact O-N 3.49Å; D19-N21 WeakPolarHBondContact OD2-CA 3.32Å; D19-N21 WeakPolarHBondContact OD2-CB 3.42Å; D19-N21 PolarHBondContact OD2-N 3.3Å; N21-K23 VanDerWaalsContact C-N 3.29Å; N21-K23 PolarHBondContact O-N 2.69Å; N21-R24 CarbonylContact O-C 3.59Å; N21-R24 WeakPolarHBondContact O-CB 3.36Å; N21-R24 PolarHBondContact O-N 2.97Å; N21-R24 VanDerWaalsContact O-N 3.11Å; N21-E25 WeakPolarHBondContact O-CB 3.48Å; N21-E25 PolarHBondContact O-N 3.13Å |
| 22 | T | 72.9 | Confident | 68.6 | Low | 50 Ų | 50 | 87.4 Ų | 87.4 | 31% | 0.307 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 173.4 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | K18 D19 E25 M26 | K18-T22 HydrophobicContact CD-CG2 3.97Å; D19-T22 PolarHBondContact O-N 3.42Å; D19-T22 WeakPolarHBondContact OD1-CB 3.45Å; D19-T22 PolarHBondContact OD1-OG1 3.3Å; D19-T22 PolarHBondContact OD2-N 2.73Å; T22-E25 PolarHBondContact O-N 3.24Å; T22-M26 HydrophobicContact CG2-CG 4.49Å; T22-M26 HydrophobicContact CG2-SD 4.48Å; T22-M26 WeakPolarHBondContact O-CB 3.28Å; T22-M26 WeakPolarHBondContact O-CG 3.37Å; T22-M26 PolarHBondContact O-N 3.47Å |
| 23 | K | 70.1 | Confident | 67.9 | Low | 69 Ų | 69 | 89.3 Ų | 89.3 | 30% | 0.3 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 171.3 | -78.8 | 168.1 | 173.5 | 151.8 | 0 | 112.3 | L15 R16 K18 D19 N21 E25 M26 V27 | L15-K23 VanDerWaalsContact O-CE 3.23Å; L15-K23 WeakPolarHBondContact O-CE 3.31Å; R16-K23 VanDerWaalsContact O-CE 3.26Å; R16-K23 WeakPolarHBondContact O-CE 3.5Å; R16-K23 PolarHBondContact O-NZ 3.29Å; K18-K23 HydrophobicContact CB-CG 4.23Å; K18-K23 WeakPolarHBondContact O-CD 3.42Å; K18-K23 WeakPolarHBondContact O-CE 3.47Å; K18-K23 PolarHBondContact O-NZ 3.01Å; D19-K23 WeakPolarHBondContact O-CB 3.46Å; D19-K23 WeakPolarHBondContact O-CG 3.35Å; D19-K23 PolarHBondContact O-N 3.31Å; N21-K23 VanDerWaalsContact C-N 3.29Å; N21-K23 PolarHBondContact O-N 2.69Å; K23-E25 VanDerWaalsContact C-N 3.32Å; K23-E25 PolarHBondContact O-N 3.05Å; K23-M26 PolarHBondContact O-N 3.47Å; K23-V27 WeakPolarHBondContact O-CB 3.32Å; K23-V27 VanDerWaalsContact O-CG2 3.28Å; K23-V27 WeakPolarHBondContact O-CG2 3.39Å; K23-V27 PolarHBondContact O-N 3.35Å |
| 24 | R | 68.9 | Low | 67.1 | Low | 150 Ų | 150 | 89.6 Ų | 89.6 | 57% | 0.566 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.2 | -41 | 175.9 | -80.3 | 167.5 | 175.3 | 164.4 | -3.9 | 111.6 | L20 N21 V27 L28 | L20-R24 WeakPolarHBondContact O-CB 3.35Å; L20-R24 WeakPolarHBondContact O-CD 3.21Å; L20-R24 WeakPolarHBondContact O-CG 3.47Å; L20-R24 PolarHBondContact O-N 3.37Å; L20-R24 VanDerWaalsContact O-N 3.12Å; N21-R24 CarbonylContact O-C 3.59Å; N21-R24 WeakPolarHBondContact O-CB 3.36Å; N21-R24 PolarHBondContact O-N 2.97Å; N21-R24 VanDerWaalsContact O-N 3.11Å; R24-V27 PolarHBondContact O-N 3.04Å; R24-L28 VanDerWaalsContact O-CB 3.28Å; R24-L28 WeakPolarHBondContact O-CB 3.46Å; R24-L28 WeakPolarHBondContact O-CG 3.33Å; R24-L28 PolarHBondContact O-N 3.43Å |
| 25 | E | 73.2 | Confident | 66 | Low | 113 Ų | 113 | 90.6 Ų | 90.6 | 53% | 0.528 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 176.8 | -167.4 | -177.6 | 172.7 | 0 | 0 | 111.4 | N21 T22 K23 V27 L28 Q29 | N21-E25 WeakPolarHBondContact O-CB 3.48Å; N21-E25 PolarHBondContact O-N 3.13Å; T22-E25 PolarHBondContact O-N 3.24Å; K23-E25 VanDerWaalsContact C-N 3.32Å; K23-E25 PolarHBondContact O-N 3.05Å; E25-V27 VanDerWaalsContact C-N 3.34Å; E25-V27 PolarHBondContact O-N 3.22Å; E25-L28 PolarHBondContact O-N 3.41Å; E25-Q29 HydrophobicContact CG-CG 4.49Å; E25-Q29 WeakPolarHBondContact O-CB 3.44Å; E25-Q29 VanDerWaalsContact O-CG 3.27Å; E25-Q29 WeakPolarHBondContact O-CG 3.45Å; E25-Q29 PolarHBondContact O-N 2.9Å; E25-Q29 PolarHBondContact OE1-NE2 3.11Å; E25-Q29 VanDerWaalsContact OE1-NE2 3.12Å |
| 26 | M | 68.8 | Low | 65 | Low | 57 Ų | 57 | 94.4 Ų | 94.4 | 28% | 0.281 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 174.9 | -73.7 | -173.5 | 66.6 | 0 | 0 | 112.5 | L15 K18 T22 K23 Q29 Y30 | L15-M26 HydrophobicContact CD2-CE 4.03Å; L15-M26 HydrophobicContact CD2-SD 4.4Å; K18-M26 HydrophobicContact CD-SD 3.97Å; K18-M26 PolarHBondContact NZ-SD 2.68Å; T22-M26 HydrophobicContact CG2-CG 4.49Å; T22-M26 HydrophobicContact CG2-SD 4.48Å; T22-M26 WeakPolarHBondContact O-CB 3.28Å; T22-M26 WeakPolarHBondContact O-CG 3.37Å; T22-M26 PolarHBondContact O-N 3.47Å; K23-M26 PolarHBondContact O-N 3.47Å; M26-Q29 PolarHBondContact O-N 2.98Å; M26-Y30 WeakPolarHBondContact O-CB 3.46Å; M26-Y30 PolarHBondContact O-N 3.09Å |
| 27 | V | 64.1 | Low | 63.7 | Low | 61 Ų | 61 | 93.3 Ų | 93.3 | 37% | 0.37 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.1 | -39.5 | 175.9 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | M1 K23 R24 E25 Y30 I31 | M1-V27 HydrophobicContact SD-CB 4.46Å; M1-V27 HydrophobicContact SD-CG2 3.78Å; K23-V27 WeakPolarHBondContact O-CB 3.32Å; K23-V27 VanDerWaalsContact O-CG2 3.28Å; K23-V27 WeakPolarHBondContact O-CG2 3.39Å; K23-V27 PolarHBondContact O-N 3.35Å; R24-V27 PolarHBondContact O-N 3.04Å; E25-V27 VanDerWaalsContact C-N 3.34Å; E25-V27 PolarHBondContact O-N 3.22Å; V27-Y30 PolarHBondContact O-N 2.89Å; V27-I31 HydrophobicContact CG1-CD1 3.7Å; V27-I31 HydrophobicContact CG1-CG1 4.38Å; V27-I31 WeakPolarHBondContact O-CB 3.47Å; V27-I31 VanDerWaalsContact O-CG1 3.28Å; V27-I31 WeakPolarHBondContact O-CG1 3.47Å; V27-I31 PolarHBondContact O-N 2.84Å |
| 28 | L | 64.9 | Low | 62.2 | Low | 114 Ų | 114 | 89.3 Ų | 89.3 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.5 | -40.7 | 174.4 | -76 | 167.1 | 0 | 0 | 0 | 111.4 | R24 E25 I31 F32 | R24-L28 VanDerWaalsContact O-CB 3.28Å; R24-L28 WeakPolarHBondContact O-CB 3.46Å; R24-L28 WeakPolarHBondContact O-CG 3.33Å; R24-L28 PolarHBondContact O-N 3.43Å; E25-L28 PolarHBondContact O-N 3.41Å; L28-I31 PolarHBondContact O-N 3.43Å; L28-F32 WeakPolarHBondContact O-CB 3.3Å; L28-F32 PolarHBondContact O-N 3.42Å |
| 29 | Q | 62.2 | Low | 60.3 | Low | 114 Ų | 114 | 88.9 Ų | 88.9 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 172.8 | -71.8 | 176.5 | 12.8 | 0 | 0 | 111.3 | E25 M26 F32 A33 | E25-Q29 HydrophobicContact CG-CG 4.49Å; E25-Q29 WeakPolarHBondContact O-CB 3.44Å; E25-Q29 VanDerWaalsContact O-CG 3.27Å; E25-Q29 WeakPolarHBondContact O-CG 3.45Å; E25-Q29 PolarHBondContact O-N 2.9Å; E25-Q29 PolarHBondContact OE1-NE2 3.11Å; E25-Q29 VanDerWaalsContact OE1-NE2 3.12Å; M26-Q29 PolarHBondContact O-N 2.98Å; Q29-F32 PolarHBondContact O-N 3.01Å; Q29-A33 VanDerWaalsContact O-CB 3.3Å; Q29-A33 WeakPolarHBondContact O-CB 3.24Å; Q29-A33 PolarHBondContact O-N 3.3Å |
| 30 | Y | 62.3 | Low | 58 | Low | 61 Ų | 61 | 91.3 Ų | 91.3 | 24% | 0.239 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -63.6 | -49.6 | 174.8 | -173.2 | -104.6 | 0 | 0 | 0 | 112.3 | M1 D4 M26 V27 F32 A33 A34 P79 | M1-Y30 HydrophobicContact CB-CD1 4.37Å; M1-Y30 HydrophobicContact CB-CE1 4.29Å; M1-Y30 HydrophobicContact CE-CD1 4.44Å; M1-Y30 HydrophobicContact CE-CD2 3.8Å; M1-Y30 HydrophobicContact CE-CG 3.7Å; M1-Y30 HydrophobicContact CG-CD1 3.76Å; M1-Y30 HydrophobicContact CG-CD2 4.26Å; M1-Y30 HydrophobicContact CG-CE1 3.88Å; M1-Y30 HydrophobicContact CG-CE2 4.37Å; M1-Y30 HydrophobicContact CG-CG 3.95Å; M1-Y30 HydrophobicContact SD-CD1 3.88Å; M1-Y30 HydrophobicContact SD-CD2 4.31Å; M1-Y30 HydrophobicContact SD-CG 3.71Å; D4-Y30 PolarHBondContact OD2-OH 3.37Å; M26-Y30 WeakPolarHBondContact O-CB 3.46Å; M26-Y30 PolarHBondContact O-N 3.09Å; V27-Y30 PolarHBondContact O-N 2.89Å; Y30-F32 VanDerWaalsContact C-N 3.32Å; Y30-F32 PolarHBondContact O-N 3.44Å; Y30-A33 PolarHBondContact O-N 2.69Å; Y30-A34 VanDerWaalsContact O-CB 3.29Å; Y30-A34 WeakPolarHBondContact O-CB 3.41Å; Y30-A34 PolarHBondContact O-N 2.89Å; Y30-P79 WeakPolarHBondContact OH-CG 3.41Å |
| 31 | I | 55.1 | Low | 56.6 | Low | 94 Ų | 94 | 94.9 Ų | 94.9 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 177.9 | -68.6 | 169.7 | 0 | 0 | 0 | 110.8 | V27 L28 S35 | V27-I31 HydrophobicContact CG1-CD1 3.7Å; V27-I31 HydrophobicContact CG1-CG1 4.38Å; V27-I31 WeakPolarHBondContact O-CB 3.47Å; V27-I31 VanDerWaalsContact O-CG1 3.28Å; V27-I31 WeakPolarHBondContact O-CG1 3.47Å; V27-I31 PolarHBondContact O-N 2.84Å; L28-I31 PolarHBondContact O-N 3.43Å; I31-S35 VanDerWaalsContact O-CB 3.26Å; I31-S35 WeakPolarHBondContact O-CB 3.44Å; I31-S35 PolarHBondContact O-N 3.44Å; I31-S35 PolarHBondContact O-OG 3.34Å |
| 32 | F | 55.3 | Low | 54.8 | Low | 134 Ų | 134 | 100 Ų | 100 | 59% | 0.588 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.3 | -37 | 176.3 | -169.6 | -101.9 | 0 | 0 | 0 | 112.3 | L28 Q29 Y30 S35 K36 | L28-F32 WeakPolarHBondContact O-CB 3.3Å; L28-F32 PolarHBondContact O-N 3.42Å; Q29-F32 PolarHBondContact O-N 3.01Å; Y30-F32 VanDerWaalsContact C-N 3.32Å; Y30-F32 PolarHBondContact O-N 3.44Å; F32-S35 PolarHBondContact O-OG 2.81Å; F32-K36 HydrophobicContact CE1-CD 4.11Å; F32-K36 VanDerWaalsContact O-CB 3.27Å; F32-K36 WeakPolarHBondContact O-CB 3.36Å; F32-K36 PolarHBondContact O-N 3.02Å |
| 33 | A | 53.2 | Low | 53 | Low | 42 Ų | 42 | 103 Ų | 103 | 35% | 0.347 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.2 | -48.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q29 Y30 S35 K36 A37 | Q29-A33 VanDerWaalsContact O-CB 3.3Å; Q29-A33 WeakPolarHBondContact O-CB 3.24Å; Q29-A33 PolarHBondContact O-N 3.3Å; Y30-A33 PolarHBondContact O-N 2.69Å; A33-S35 PolarHBondContact O-N 2.82Å; A33-K36 PolarHBondContact O-N 2.73Å; A33-A37 PolarHBondContact O-N 3.1Å |
| 34 | A | 49.5 | Very low | 51.8 | Low | 59 Ų | 59 | 107.7 Ų | 107.7 | 49% | 0.488 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.2 | -41.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y30 A37 | Y30-A34 VanDerWaalsContact O-CB 3.29Å; Y30-A34 WeakPolarHBondContact O-CB 3.41Å; Y30-A34 PolarHBondContact O-N 2.89Å; A34-A37 WeakPolarHBondContact O-CB 3.42Å; A34-A37 PolarHBondContact O-N 3.16Å |
| 35 | S | 46.3 | Very low | 50.9 | Low | 85 Ų | 85 | 107.4 Ų | 107.4 | 59% | 0.594 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71.7 | -27.7 | 174.5 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | I31 F32 A33 A37 | I31-S35 VanDerWaalsContact O-CB 3.26Å; I31-S35 WeakPolarHBondContact O-CB 3.44Å; I31-S35 PolarHBondContact O-N 3.44Å; I31-S35 PolarHBondContact O-OG 3.34Å; F32-S35 PolarHBondContact O-OG 2.81Å; A33-S35 PolarHBondContact O-N 2.82Å; S35-A37 PolarHBondContact O-N 2.94Å |
| 36 | K | 46.5 | Very low | 50.5 | Low | 113 Ų | 113 | 103.5 Ų | 103.5 | 49% | 0.491 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.3 | -10.6 | 170 | -94 | -161.8 | 166.4 | -159.3 | 0 | 114.9 | F32 A33 G38 S39 | F32-K36 HydrophobicContact CE1-CD 4.11Å; F32-K36 VanDerWaalsContact O-CB 3.27Å; F32-K36 WeakPolarHBondContact O-CB 3.36Å; F32-K36 PolarHBondContact O-N 3.02Å; A33-K36 PolarHBondContact O-N 2.73Å; K36-G38 PolarHBondContact O-N 3.48Å; K36-S39 PolarHBondContact O-N 3.44Å |
| 37 | A | 45.7 | Very low | 50.8 | Low | 94 Ų | 94 | 102.8 Ų | 102.8 | 78% | 0.777 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -21.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | A33 A34 S35 | A33-A37 PolarHBondContact O-N 3.1Å; A34-A37 WeakPolarHBondContact O-CB 3.42Å; A34-A37 PolarHBondContact O-N 3.16Å; S35-A37 PolarHBondContact O-N 2.94Å |
| 38 | G | 44.2 | Very low | 51.5 | Low | 76 Ų | 76 | 100.8 Ų | 100.8 | 78% | 0.784 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -11 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | K36 | K36-G38 PolarHBondContact O-N 3.48Š|
| 39 | S | 36.3 | Very low | 52.2 | Low | 72 Ų | 72 | 101.1 Ų | 101.1 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -159.9 | 127.4 | -175.2 | -160.1 | 0 | 0 | 0 | 0 | 118.3 | K36 | K36-S39 PolarHBondContact O-N 3.44Š|
| 40 | L | 30.7 | Very low | 53.1 | Low | 133 Ų | 133 | 100.5 Ų | 100.5 | 70% | 0.696 | 55% | 0.553 | S | S | * | * | trans | 66.3 | 94 | 154.6 | -71.6 | 167.7 | 0 | 0 | 0 | 120.2 | ||||
| 41 | K | 45 | Very low | 54.2 | Low | 192 Ų | 192 | 97.6 Ų | 97.6 | 84% | 0.835 | 54% | 0.542 | S | S | * | . | 33.4 | 95.5 | 123.5 | -65.7 | -177.9 | 176.7 | 179 | 0 | 117.5 | |||||
| 42 | K | 35.9 | Very low | 55.6 | Low | 217 Ų | 217 | 93.2 Ų | 93.2 | 94% | 0.943 | 52% | 0.52 | S | S | * | . | S | Bend | 169.9 | 51.2 | 128.6 | -93.9 | -178.6 | 177 | -175.2 | 0 | 113.3 | |||
| 43 | S | 33.8 | Very low | 56.9 | Low | 114 Ų | 114 | 90.2 Ų | 90.2 | 80% | 0.797 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -158.2 | 154 | 152 | -167.5 | 0 | 0 | 0 | 0 | 107.8 | Q45 | S43-Q45 PolarHBondContact O-N 3.36Š|
| 44 | H | 45.3 | Very low | 58.3 | Low | 167 Ų | 167 | 90 Ų | 90 | 77% | 0.773 | 51% | 0.507 | S | S | * | . | trans | -80.8 | 84.1 | -177.8 | -78.2 | -78.1 | 0 | 0 | 0 | 111.7 | ||||
| 45 | Q | 51.2 | Low | 60 | Low | 143 Ų | 143 | 87.6 Ų | 87.6 | 67% | 0.668 | 49% | 0.486 | S | S | * | . | trans | -110 | 96.2 | 154.5 | -77.7 | -178.3 | -54.6 | 0 | 0 | 107.7 | S43 | S43-Q45 PolarHBondContact O-N 3.36Š| ||
| 46 | I | 63.6 | Low | 61.9 | Low | 32 Ų | 32 | 88.6 Ų | 88.6 | 16% | 0.164 | 48% | 0.48 | C | S | . | . | trans | -79.5 | 134 | -177.8 | -63.6 | 173 | 0 | 0 | 0 | 108.1 | E50 F51 | I46-E50 HydrophobicContact CG2-CB 3.39Å; I46-E50 HydrophobicContact CG2-CG 4.34Å; I46-F51 HydrophobicContact CB-CD2 4.14Å; I46-F51 HydrophobicContact CB-CE2 3.6Å; I46-F51 HydrophobicContact CB-CZ 3.84Å; I46-F51 HydrophobicContact CD1-CE1 4.34Å; I46-F51 HydrophobicContact CD1-CZ 4.12Å; I46-F51 HydrophobicContact CG2-CD1 4.31Å; I46-F51 HydrophobicContact CG2-CD2 3.66Å; I46-F51 HydrophobicContact CG2-CE1 4.28Å; I46-F51 HydrophobicContact CG2-CE2 3.64Å; I46-F51 HydrophobicContact CG2-CG 4.02Å; I46-F51 HydrophobicContact CG2-CZ 3.96Å | ||
| 47 | S | 75.4 | Confident | 63.5 | Low | 42 Ų | 42 | 87.1 Ų | 87.1 | 29% | 0.294 | 48% | 0.484 | S | S | . | . | trans | -69.3 | 158.9 | 178.9 | 68.5 | 0 | 0 | 0 | 0 | 112 | Q49 E50 F51 | S47-Q49 PolarHBondContact O-N 2.94Å; S47-E50 WeakPolarHBondContact CB-OE1 3.49Å; S47-E50 PolarHBondContact N-OE1 3.4Å; S47-E50 PolarHBondContact O-N 3.45Å; S47-E50 WeakPolarHBondContact OG-CG 3.27Å; S47-E50 PolarHBondContact OG-N 2.92Å; S47-E50 PolarHBondContact OG-OE1 3.13Å; S47-F51 WeakPolarHBondContact O-CD2 3.16Å; S47-F51 PolarHBondContact O-N 2.94Å | ||
| 48 | P | 79.1 | Confident | 64.8 | Low | 19 Ų | 19 | 84.3 Ų | 84.3 | 12% | 0.123 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -55.3 | -38.6 | 174.5 | -21.7 | 31.1 | 0 | 0 | 0 | 111.8 | F51 L52 W82 F86 | P48-F51 PolarHBondContact O-N 2.94Å; P48-L52 VanDerWaalsContact O-CG 3.24Å; P48-L52 WeakPolarHBondContact O-CG 3.33Å; P48-L52 PolarHBondContact O-N 3.34Å; P48-W82 HydrophobicContact CB-CZ2 4.5Å; P48-W82 HydrophobicContact CG-CD2 3.95Å; P48-W82 HydrophobicContact CG-CG 4.04Å; P48-W82 HydrophobicContact CG-CZ2 4.15Å; P48-F86 HydrophobicContact CB-CB 4.35Å |
| 49 | Q | 79.9 | Confident | 66.1 | Low | 120 Ų | 120 | 81.6 Ų | 81.6 | 56% | 0.561 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -68.7 | -33.8 | -178.8 | -66 | -62.2 | -34.6 | 0 | 0 | 113.1 | S47 S53 | S47-Q49 PolarHBondContact O-N 2.94Å; Q49-S53 WeakPolarHBondContact O-CB 3.34Å; Q49-S53 PolarHBondContact O-N 2.96Å |
| 50 | E | 81 | Confident | 67.8 | Low | 101 Ų | 101 | 81.9 Ų | 81.9 | 47% | 0.472 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65 | -45.6 | 171.4 | -77.5 | 158.3 | -92.1 | 0 | 0 | 111.3 | I46 S47 S53 E54 | I46-E50 HydrophobicContact CG2-CB 3.39Å; I46-E50 HydrophobicContact CG2-CG 4.34Å; S47-E50 WeakPolarHBondContact CB-OE1 3.49Å; S47-E50 PolarHBondContact N-OE1 3.4Å; S47-E50 PolarHBondContact O-N 3.45Å; S47-E50 WeakPolarHBondContact OG-CG 3.27Å; S47-E50 PolarHBondContact OG-N 2.92Å; S47-E50 PolarHBondContact OG-OE1 3.13Å; E50-S53 PolarHBondContact O-N 3.45Å; E50-S53 VanDerWaalsContact O-N 3.15Å; E50-S53 PolarHBondContact O-OG 2.92Å; E50-E54 PolarHBondContact O-N 3.33Å |
| 51 | F | 84.3 | Confident | 69.9 | Low | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61 | -44.8 | 174.7 | -77.8 | -66.3 | 0 | 0 | 0 | 112.1 | I46 S47 P48 S53 E54 L55 L71 W82 F86 | I46-F51 HydrophobicContact CB-CD2 4.14Å; I46-F51 HydrophobicContact CB-CE2 3.6Å; I46-F51 HydrophobicContact CB-CZ 3.84Å; I46-F51 HydrophobicContact CD1-CE1 4.34Å; I46-F51 HydrophobicContact CD1-CZ 4.12Å; I46-F51 HydrophobicContact CG2-CD1 4.31Å; I46-F51 HydrophobicContact CG2-CD2 3.66Å; I46-F51 HydrophobicContact CG2-CE1 4.28Å; I46-F51 HydrophobicContact CG2-CE2 3.64Å; I46-F51 HydrophobicContact CG2-CG 4.02Å; I46-F51 HydrophobicContact CG2-CZ 3.96Å; S47-F51 WeakPolarHBondContact O-CD2 3.16Å; S47-F51 PolarHBondContact O-N 2.94Å; P48-F51 PolarHBondContact O-N 2.94Å; F51-S53 VanDerWaalsContact C-N 3.27Å; F51-S53 PolarHBondContact O-N 2.97Å; F51-E54 PolarHBondContact O-N 3.32Å; F51-L55 WeakPolarHBondContact O-CB 3.32Å; F51-L55 VanDerWaalsContact O-CG 3.31Å; F51-L55 WeakPolarHBondContact O-CG 3.38Å; F51-L55 PolarHBondContact O-N 3.47Å; F51-L71 HydrophobicContact CB-CD1 4.34Å; F51-L71 HydrophobicContact CD1-CB 3.97Å; F51-L71 HydrophobicContact CD1-CD1 4.25Å; F51-L71 HydrophobicContact CD2-CD1 4.18Å; F51-L71 HydrophobicContact CE1-CB 3.81Å; F51-L71 HydrophobicContact CG-CD1 4.03Å; F51-L71 HydrophobicContact CZ-CB 4.3Å; F51-W82 AromaticContact CD2-CH2 3.82Å; F51-W82 HydrophobicContact CD2-CH2 3.82Å; F51-W82 AromaticContact CD2-CZ2 3.76Å; F51-W82 HydrophobicContact CD2-CZ2 3.76Å; F51-W82 AromaticContact CE2-CH2 3.98Å; F51-W82 HydrophobicContact CE2-CH2 3.98Å; F51-W82 AromaticContact CE2-CZ2 3.83Å; F51-W82 HydrophobicContact CE2-CZ2 3.83Å; F51-F86 HydrophobicContact CB-CE2 4.44Å |
| 52 | L | 85 | Confident | 71.6 | Confident | 3 Ų | 3 | 77.3 Ų | 77.3 | 2% | 0.016 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58 | -41.5 | 173.8 | -68.2 | 168.9 | 0 | 0 | 0 | 111.1 | P48 K56 F86 E89 L93 | P48-L52 VanDerWaalsContact O-CG 3.24Å; P48-L52 WeakPolarHBondContact O-CG 3.33Å; P48-L52 PolarHBondContact O-N 3.34Å; L52-K56 VanDerWaalsContact O-CB 3.22Å; L52-K56 WeakPolarHBondContact O-CB 3.45Å; L52-K56 WeakPolarHBondContact O-CD 3.32Å; L52-K56 WeakPolarHBondContact O-CG 3.35Å; L52-K56 PolarHBondContact O-N 2.9Å; L52-F86 HydrophobicContact CD2-CD2 4.06Å; L52-F86 HydrophobicContact CD2-CE2 4.03Å; L52-F86 HydrophobicContact CG-CD2 4.25Å; L52-F86 HydrophobicContact CG-CE2 4.48Å; L52-E89 HydrophobicContact CD2-CB 4.24Å; L52-E89 HydrophobicContact CD2-CG 4.25Å; L52-L93 HydrophobicContact CD2-CD1 3.81Å |
| 53 | S | 82.7 | Confident | 73.8 | Confident | 70 Ų | 70 | 74.7 Ų | 74.7 | 49% | 0.49 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 177.5 | 83 | 0 | 0 | 0 | 0 | 112.9 | Q49 E50 F51 S57 | Q49-S53 WeakPolarHBondContact O-CB 3.34Å; Q49-S53 PolarHBondContact O-N 2.96Å; E50-S53 PolarHBondContact O-N 3.45Å; E50-S53 VanDerWaalsContact O-N 3.15Å; E50-S53 PolarHBondContact O-OG 2.92Å; F51-S53 VanDerWaalsContact C-N 3.27Å; F51-S53 PolarHBondContact O-N 2.97Å; S53-S57 WeakPolarHBondContact O-CB 3.31Å; S53-S57 PolarHBondContact O-N 2.89Å |
| 54 | E | 83.7 | Confident | 76.2 | Confident | 39 Ų | 39 | 69.4 Ų | 69.4 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.8 | -43 | -179.5 | -170 | 163.5 | -135.4 | 0 | 0 | 111 | E50 F51 S57 V59 R63 C67 | E50-E54 PolarHBondContact O-N 3.33Å; F51-E54 PolarHBondContact O-N 3.32Å; E54-S57 PolarHBondContact O-N 2.92Å; E54-S57 PolarHBondContact O-OG 3.36Å; E54-V59 HydrophobicContact CG-CG2 3.62Å; E54-R63 IonicContact OE1-CZ 3.33Å; E54-R63 IonicContact OE1-NE 3.13Å; E54-R63 PolarHBondContact OE1-NE 3.41Å; E54-R63 IonicContact OE1-NH2 2.74Å; E54-R63 PolarHBondContact OE1-NH2 2.88Å; E54-C67 PolarHBondContact OE2-SG 2.96Å |
| 55 | L | 84.9 | Confident | 78.2 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 172.3 | -65.2 | 172.7 | 0 | 0 | 0 | 111.4 | F51 S57 G58 L64 L68 L71 F86 L93 L94 I97 | F51-L55 WeakPolarHBondContact O-CB 3.32Å; F51-L55 VanDerWaalsContact O-CG 3.31Å; F51-L55 WeakPolarHBondContact O-CG 3.38Å; F51-L55 PolarHBondContact O-N 3.47Å; L55-S57 VanDerWaalsContact C-N 3.28Å; L55-S57 PolarHBondContact O-N 3.14Å; L55-G58 PolarHBondContact O-N 3.32Å; L55-L64 HydrophobicContact CD2-CD1 4.37Å; L55-L68 HydrophobicContact CD2-CD2 4.3Å; L55-L71 HydrophobicContact CD1-CD2 4.05Å; L55-F86 HydrophobicContact CD1-CE2 4.12Å; L55-F86 HydrophobicContact CD1-CZ 4.15Å; L55-L93 HydrophobicContact CB-CB 4.28Å; L55-L93 HydrophobicContact CB-CD1 4.21Å; L55-L93 HydrophobicContact CD1-CB 4.33Å; L55-L94 HydrophobicContact CD1-CD2 4.49Å; L55-I97 HydrophobicContact CB-CD1 4.32Å; L55-I97 HydrophobicContact CD2-CD1 3.77Å |
| 56 | K | 85 | Confident | 79.7 | Confident | 106 Ų | 106 | 60.4 Ų | 60.4 | 46% | 0.461 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.7 | -32.7 | 174.7 | -78.3 | 168.7 | 173.8 | 173.7 | 0 | 113.4 | L52 G58 E89 L93 | L52-K56 VanDerWaalsContact O-CB 3.22Å; L52-K56 WeakPolarHBondContact O-CB 3.45Å; L52-K56 WeakPolarHBondContact O-CD 3.32Å; L52-K56 WeakPolarHBondContact O-CG 3.35Å; L52-K56 PolarHBondContact O-N 2.9Å; K56-G58 PolarHBondContact O-N 3.01Å; K56-G58 VanDerWaalsContact O-N 3.13Å; K56-E89 VanDerWaalsContact CE-CD 3.4Å; K56-E89 VanDerWaalsContact CE-OE1 3.25Å; K56-E89 WeakPolarHBondContact CE-OE1 3.25Å; K56-E89 WeakPolarHBondContact CE-OE2 3.23Å; K56-E89 IonicContact NZ-OE1 3.19Å; K56-E89 PolarHBondContact NZ-OE1 2.8Å; K56-E89 IonicContact NZ-OE2 2.73Å; K56-E89 PolarHBondContact NZ-OE2 3.35Å; K56-L93 HydrophobicContact CD-CD1 4.47Å; K56-L93 HydrophobicContact CG-CD1 3.83Å; K56-L93 HydrophobicContact CG-CD2 3.89Å |
| 57 | S | 80.8 | Confident | 80.8 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 57% | 0.573 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -2.1 | 178.7 | 75.1 | 0 | 0 | 0 | 0 | 114.2 | S53 E54 L55 V59 | S53-S57 WeakPolarHBondContact O-CB 3.31Å; S53-S57 PolarHBondContact O-N 2.89Å; E54-S57 PolarHBondContact O-N 2.92Å; E54-S57 PolarHBondContact O-OG 3.36Å; L55-S57 VanDerWaalsContact C-N 3.28Å; L55-S57 PolarHBondContact O-N 3.14Å; S57-V59 WeakPolarHBondContact OG-CG2 3.44Å |
| 58 | G | 72.4 | Confident | 81.4 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 36% | 0.361 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 26.4 | 171 | 0 | 0 | 0 | 0 | 0 | 114.1 | L55 K56 | L55-G58 PolarHBondContact O-N 3.32Å; K56-G58 PolarHBondContact O-N 3.01Å; K56-G58 VanDerWaalsContact O-N 3.13Å |
| 59 | V | 72.6 | Confident | 81.7 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | trans | -51.8 | 139.5 | 180 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | E54 S57 R63 L64 | E54-V59 HydrophobicContact CG-CG2 3.62Å; S57-V59 WeakPolarHBondContact OG-CG2 3.44Å; V59-R63 HydrophobicContact CG1-CB 3.64Å; V59-R63 HydrophobicContact CG1-CG 3.62Å; V59-L64 HydrophobicContact CG1-CB 4.1Å | ||
| 60 | M | 71.6 | Confident | 82 | Confident | 77 Ų | 77 | 54.9 Ų | 54.9 | 38% | 0.379 | 30% | 0.295 | S | S | . | . | trans | -116.9 | 172.3 | -178.3 | -61.8 | -58.7 | -65 | 0 | 0 | 111.9 | L64 R100 | M60-L64 PolarHBondContact O-N 2.64Å; M60-L64 VanDerWaalsContact O-N 3.07Å; M60-R100 PolarHBondContact SD-NH1 2.81Å; M60-R100 VanDerWaalsContact SD-NH1 3.37Å; M60-R100 PolarHBondContact SD-NH2 3.39Å; M60-R100 VanDerWaalsContact SD-NH2 3.44Å | ||
| 61 | D | 74.3 | Confident | 82.3 | Confident | 86 Ų | 86 | 50 Ų | 50 | 46% | 0.46 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | 55.8 | -135.6 | 161.9 | -45 | -36.2 | 0 | 0 | 0 | 114.7 | R63 L64 F65 L110 N114 | D61-R63 VanDerWaalsContact C-N 3.31Å; D61-R63 PolarHBondContact O-N 3.49Å; D61-L64 WeakPolarHBondContact O-CB 3.48Å; D61-L64 PolarHBondContact O-N 2.97Å; D61-F65 PolarHBondContact O-N 3.27Å; D61-F65 VanDerWaalsContact O-N 3.14Å; D61-L110 HydrophobicContact CB-CD2 3.93Å; D61-N114 PolarHBondContact O-ND2 3.49Å |
| 62 | E | 80 | Confident | 82.5 | Confident | 144 Ų | 144 | 53 Ų | 53 | 67% | 0.673 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -71.2 | -27.2 | -173.4 | -63.8 | -159.5 | 137.1 | 0 | 0 | 112.7 | L64 F65 A66 L110 | E62-L64 VanDerWaalsContact C-N 3.34Å; E62-F65 WeakPolarHBondContact O-CB 3.17Å; E62-F65 PolarHBondContact O-N 3.42Å; E62-A66 PolarHBondContact O-N 3Å; E62-L110 HydrophobicContact CG-CD1 4.27Å; E62-L110 HydrophobicContact CG-CD2 3.75Å |
| 63 | R | 82.8 | Confident | 82.5 | Confident | 162 Ų | 162 | 56 Ų | 56 | 61% | 0.611 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -69.1 | -35.9 | 173.7 | -170.8 | -176.8 | 168.5 | 169.7 | -2.7 | 110.9 | E54 V59 D61 A66 C67 | E54-R63 IonicContact OE1-CZ 3.33Å; E54-R63 IonicContact OE1-NE 3.13Å; E54-R63 PolarHBondContact OE1-NE 3.41Å; E54-R63 IonicContact OE1-NH2 2.74Å; E54-R63 PolarHBondContact OE1-NH2 2.88Å; V59-R63 HydrophobicContact CG1-CB 3.64Å; V59-R63 HydrophobicContact CG1-CG 3.62Å; D61-R63 VanDerWaalsContact C-N 3.31Å; D61-R63 PolarHBondContact O-N 3.49Å; R63-A66 PolarHBondContact O-N 3.3Å; R63-C67 VanDerWaalsContact O-CB 3.32Å; R63-C67 WeakPolarHBondContact O-CB 3.28Å; R63-C67 PolarHBondContact O-N 3.26Å |
| 64 | L | 85.5 | Confident | 82.5 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64 | -43.2 | 171.7 | -179.7 | 61.1 | 0 | 0 | 0 | 110.5 | L55 V59 M60 D61 E62 A66 C67 L68 I97 | L55-L64 HydrophobicContact CD2-CD1 4.37Å; V59-L64 HydrophobicContact CG1-CB 4.1Å; M60-L64 PolarHBondContact O-N 2.64Å; M60-L64 VanDerWaalsContact O-N 3.07Å; D61-L64 WeakPolarHBondContact O-CB 3.48Å; D61-L64 PolarHBondContact O-N 2.97Å; E62-L64 VanDerWaalsContact C-N 3.34Å; L64-A66 PolarHBondContact O-N 2.9Å; L64-C67 PolarHBondContact O-N 3.46Å; L64-L68 HydrophobicContact CD1-CD1 3.89Å; L64-L68 HydrophobicContact CD1-CG 3.99Å; L64-L68 HydrophobicContact CG-CD1 3.78Å; L64-L68 HydrophobicContact CG-CG 4.32Å; L64-L68 WeakPolarHBondContact O-CB 3.16Å; L64-L68 WeakPolarHBondContact O-CG 3.43Å; L64-L68 PolarHBondContact O-N 3.36Å; L64-I97 HydrophobicContact CD2-CG2 4.1Å |
| 65 | F | 85.4 | Confident | 82.5 | Confident | 61 Ų | 61 | 51.3 Ų | 51.3 | 27% | 0.268 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 175.6 | -173.5 | -97.2 | 0 | 0 | 0 | 112.3 | D61 E62 L68 D69 L110 K113 N114 K117 | D61-F65 PolarHBondContact O-N 3.27Å; D61-F65 VanDerWaalsContact O-N 3.14Å; E62-F65 WeakPolarHBondContact O-CB 3.17Å; E62-F65 PolarHBondContact O-N 3.42Å; F65-L68 PolarHBondContact O-N 3.07Å; F65-D69 WeakPolarHBondContact O-CB 3.49Å; F65-D69 PolarHBondContact O-N 2.85Å; F65-L110 HydrophobicContact CB-CD1 4.46Å; F65-K113 HydrophobicContact CD2-CB 4.02Å; F65-K113 HydrophobicContact CE2-CB 3.92Å; F65-K113 HydrophobicContact CE2-CD 4.4Å; F65-N114 VanDerWaalsContact CA-OD1 3.29Å; F65-N114 WeakPolarHBondContact CA-OD1 3.36Å; F65-N114 VanDerWaalsContact CB-OD1 3.24Å; F65-N114 WeakPolarHBondContact CB-OD1 3.42Å; F65-N114 WeakPolarHBondContact CD2-OD1 3.38Å; F65-N114 PolarHBondContact N-OD1 3.18Å; F65-K117 HydrophobicContact CE2-CB 4.41Å |
| 66 | A | 83.9 | Confident | 82.4 | Confident | 59 Ų | 59 | 53.7 Ų | 53.7 | 49% | 0.488 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | E62 R63 L64 D69 S70 | E62-A66 PolarHBondContact O-N 3Å; R63-A66 PolarHBondContact O-N 3.3Å; L64-A66 PolarHBondContact O-N 2.9Å; A66-D69 PolarHBondContact O-N 2.8Å; A66-S70 WeakPolarHBondContact O-CB 3.31Å; A66-S70 PolarHBondContact O-N 3.2Å; A66-S70 VanDerWaalsContact O-N 3.07Å |
| 67 | C | 86.6 | Confident | 82 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 174.1 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | E54 R63 L64 D69 S70 L71 | E54-C67 PolarHBondContact OE2-SG 2.96Å; R63-C67 VanDerWaalsContact O-CB 3.32Å; R63-C67 WeakPolarHBondContact O-CB 3.28Å; R63-C67 PolarHBondContact O-N 3.26Å; L64-C67 PolarHBondContact O-N 3.46Å; C67-D69 PolarHBondContact O-N 3.1Å; C67-S70 PolarHBondContact O-N 3.42Å; C67-L71 VanDerWaalsContact O-CB 3.3Å; C67-L71 WeakPolarHBondContact O-CB 3.42Å; C67-L71 PolarHBondContact O-N 2.94Å |
| 68 | L | 87.5 | Confident | 82 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 179.4 | -68.4 | 169.3 | 0 | 0 | 0 | 113.2 | L55 L64 F65 L71 R72 L94 N114 K117 I118 C121 | L55-L68 HydrophobicContact CD2-CD2 4.3Å; L64-L68 HydrophobicContact CD1-CD1 3.89Å; L64-L68 HydrophobicContact CD1-CG 3.99Å; L64-L68 HydrophobicContact CG-CD1 3.78Å; L64-L68 HydrophobicContact CG-CG 4.32Å; L64-L68 WeakPolarHBondContact O-CB 3.16Å; L64-L68 WeakPolarHBondContact O-CG 3.43Å; L64-L68 PolarHBondContact O-N 3.36Å; F65-L68 PolarHBondContact O-N 3.07Å; L68-L71 HydrophobicContact CD2-CD2 4.47Å; L68-L71 PolarHBondContact O-N 3.42Å; L68-R72 WeakPolarHBondContact O-CB 3.47Å; L68-R72 PolarHBondContact O-N 3.3Å; L68-L94 HydrophobicContact CD2-CD2 3.62Å; L68-N114 HydrophobicContact CD1-CB 4.46Å; L68-K117 HydrophobicContact CB-CB 4.17Å; L68-K117 HydrophobicContact CB-CG 3.48Å; L68-K117 VanDerWaalsContact CB-CG 3.48Å; L68-K117 HydrophobicContact CD1-CB 4.37Å; L68-I118 HydrophobicContact CD1-CD1 4.32Å; L68-I118 HydrophobicContact CD1-CG1 3.76Å; L68-I118 HydrophobicContact CD2-CG1 3.95Å; L68-C121 PolarHBondContact O-SG 2.97Å; L68-C121 VanDerWaalsContact O-SG 3.41Å |
| 69 | D | 85.6 | Confident | 82.1 | Confident | 48 Ų | 48 | 48.2 Ų | 48.2 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70 | -36.7 | 176.6 | -156.2 | 76.6 | 0 | 0 | 0 | 112.3 | F65 A66 C67 R72 V73 K117 | F65-D69 WeakPolarHBondContact O-CB 3.49Å; F65-D69 PolarHBondContact O-N 2.85Å; A66-D69 PolarHBondContact O-N 2.8Å; C67-D69 PolarHBondContact O-N 3.1Å; D69-R72 PolarHBondContact O-NH2 3.07Å; D69-R72 IonicContact OD1-CZ 2.89Å; D69-R72 IonicContact OD1-NH1 2.89Å; D69-R72 PolarHBondContact OD1-NH1 2.9Å; D69-R72 IonicContact OD1-NH2 3.37Å; D69-R72 PolarHBondContact OD1-NH2 3.47Å; D69-R72 IonicContact OD2-CZ 3.88Å; D69-R72 IonicContact OD2-NH2 2.63Å; D69-R72 PolarHBondContact OD2-NH2 3.13Å; D69-V73 WeakPolarHBondContact O-CG2 3.49Å; D69-V73 PolarHBondContact O-N 3.07Å; D69-K117 HydrophobicContact CB-CD 4.2Å; D69-K117 WeakPolarHBondContact OD1-CD 3.44Å; D69-K117 WeakPolarHBondContact OD1-CE 3.5Å; D69-K117 IonicContact OD1-NZ 2.74Å; D69-K117 PolarHBondContact OD1-NZ 3.18Å |
| 70 | S | 85.5 | Confident | 82.3 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 30% | 0.301 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.3 | -40.3 | 171.7 | -172 | 0 | 0 | 0 | 0 | 112.5 | A66 C67 V73 S74 | A66-S70 WeakPolarHBondContact O-CB 3.31Å; A66-S70 PolarHBondContact O-N 3.2Å; A66-S70 VanDerWaalsContact O-N 3.07Å; C67-S70 PolarHBondContact O-N 3.42Å; S70-V73 PolarHBondContact O-N 3.45Å; S70-S74 WeakPolarHBondContact O-CB 3.48Å; S70-S74 PolarHBondContact O-N 3.38Å; S70-S74 PolarHBondContact O-OG 3.37Å |
| 71 | L | 87.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 175.3 | 176.2 | 58.4 | 0 | 0 | 0 | 111.7 | F51 L55 C67 L68 V73 S74 L75 W82 F86 L94 | F51-L71 HydrophobicContact CB-CD1 4.34Å; F51-L71 HydrophobicContact CD1-CB 3.97Å; F51-L71 HydrophobicContact CD1-CD1 4.25Å; F51-L71 HydrophobicContact CD2-CD1 4.18Å; F51-L71 HydrophobicContact CE1-CB 3.81Å; F51-L71 HydrophobicContact CG-CD1 4.03Å; F51-L71 HydrophobicContact CZ-CB 4.3Å; L55-L71 HydrophobicContact CD1-CD2 4.05Å; C67-L71 VanDerWaalsContact O-CB 3.3Å; C67-L71 WeakPolarHBondContact O-CB 3.42Å; C67-L71 PolarHBondContact O-N 2.94Å; L68-L71 HydrophobicContact CD2-CD2 4.47Å; L68-L71 PolarHBondContact O-N 3.42Å; L71-V73 VanDerWaalsContact C-N 3.33Å; L71-V73 PolarHBondContact O-N 3.46Å; L71-S74 WeakPolarHBondContact O-CB 3.38Å; L71-S74 PolarHBondContact O-N 3.42Å; L71-S74 VanDerWaalsContact O-N 3.16Å; L71-L75 HydrophobicContact CD1-CD1 4.06Å; L71-L75 HydrophobicContact CD1-CG 4.08Å; L71-L75 HydrophobicContact CG-CD1 3.96Å; L71-L75 HydrophobicContact CG-CG 4.46Å; L71-L75 WeakPolarHBondContact O-CB 3.49Å; L71-L75 WeakPolarHBondContact O-CG 3.14Å; L71-L75 PolarHBondContact O-N 3.07Å; L71-W82 HydrophobicContact CD1-CH2 3.91Å; L71-W82 HydrophobicContact CD1-CZ3 4.33Å; L71-F86 HydrophobicContact CD1-CD2 4.21Å; L71-F86 HydrophobicContact CD1-CE2 3.81Å; L71-F86 HydrophobicContact CD1-CZ 4.02Å; L71-F86 HydrophobicContact CD2-CE2 4.08Å; L71-F86 HydrophobicContact CD2-CZ 3.79Å; L71-F86 HydrophobicContact CG-CZ 4.47Å; L71-L94 HydrophobicContact CD2-CD1 4.49Å; L71-L94 HydrophobicContact CD2-CD2 4.01Å |
| 72 | R | 89 | Confident | 83.2 | Confident | 62 Ų | 62 | 44.3 Ų | 44.3 | 23% | 0.234 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.7 | -47.3 | 173.9 | -179.6 | -146.4 | 58.6 | -154.6 | -22.8 | 111.2 | L68 D69 L75 T76 Q120 | L68-R72 WeakPolarHBondContact O-CB 3.47Å; L68-R72 PolarHBondContact O-N 3.3Å; D69-R72 PolarHBondContact O-NH2 3.07Å; D69-R72 IonicContact OD1-CZ 2.89Å; D69-R72 IonicContact OD1-NH1 2.89Å; D69-R72 PolarHBondContact OD1-NH1 2.9Å; D69-R72 IonicContact OD1-NH2 3.37Å; D69-R72 PolarHBondContact OD1-NH2 3.47Å; D69-R72 IonicContact OD2-CZ 3.88Å; D69-R72 IonicContact OD2-NH2 2.63Å; D69-R72 PolarHBondContact OD2-NH2 3.13Å; R72-L75 PolarHBondContact O-N 2.83Å; R72-T76 PolarHBondContact O-N 2.94Å; R72-T76 PolarHBondContact O-OG1 3.04Å; R72-Q120 HydrophobicContact CG-CB 4.08Å |
| 73 | V | 85.1 | Confident | 83.4 | Confident | 65 Ų | 65 | 37.4 Ų | 37.4 | 39% | 0.394 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.8 | -49.6 | 175.9 | 175 | 0 | 0 | 0 | 0 | 110.1 | D69 S70 L71 L75 T76 S77 | D69-V73 WeakPolarHBondContact O-CG2 3.49Å; D69-V73 PolarHBondContact O-N 3.07Å; S70-V73 PolarHBondContact O-N 3.45Å; L71-V73 VanDerWaalsContact C-N 3.33Å; L71-V73 PolarHBondContact O-N 3.46Å; V73-L75 VanDerWaalsContact C-N 3.33Å; V73-L75 PolarHBondContact O-N 3.15Å; V73-T76 CarbonylContact O-C 3.59Å; V73-T76 WeakPolarHBondContact O-CA 3.47Å; V73-T76 PolarHBondContact O-N 2.85Å; V73-T76 PolarHBondContact O-OG1 3.29Å; V73-S77 WeakPolarHBondContact O-CB 3.34Å; V73-S77 PolarHBondContact O-N 3.12Å; V73-S77 PolarHBondContact O-OG 3.5Å; V73-S77 VanDerWaalsContact O-OG 3.12Å |
| 74 | S | 83.2 | Confident | 83.4 | Confident | 11 Ų | 11 | 33.8 Ų | 33.8 | 8% | 0.077 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.1 | -42.4 | -179.5 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | S70 L71 T76 S77 N78 | S70-S74 WeakPolarHBondContact O-CB 3.48Å; S70-S74 PolarHBondContact O-N 3.38Å; S70-S74 PolarHBondContact O-OG 3.37Å; L71-S74 WeakPolarHBondContact O-CB 3.38Å; L71-S74 PolarHBondContact O-N 3.42Å; L71-S74 VanDerWaalsContact O-N 3.16Å; S74-T76 VanDerWaalsContact C-N 3.27Å; S74-T76 PolarHBondContact O-N 3.46Å; S74-S77 PolarHBondContact O-N 3.48Å; S74-N78 WeakPolarHBondContact O-CB 3.34Å; S74-N78 PolarHBondContact O-N 2.95Å; S74-N78 PolarHBondContact O-ND2 3.35Å |
| 75 | L | 84.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.5 | -28.9 | 174.6 | -72.8 | 164.9 | 0 | 0 | 0 | 113.2 | N6 L71 R72 V73 W82 V83 F86 C121 A124 F125 | N6-L75 PolarHBondContact ND2-O 2.87Å; L71-L75 HydrophobicContact CD1-CD1 4.06Å; L71-L75 HydrophobicContact CD1-CG 4.08Å; L71-L75 HydrophobicContact CG-CD1 3.96Å; L71-L75 HydrophobicContact CG-CG 4.46Å; L71-L75 WeakPolarHBondContact O-CB 3.49Å; L71-L75 WeakPolarHBondContact O-CG 3.14Å; L71-L75 PolarHBondContact O-N 3.07Å; R72-L75 PolarHBondContact O-N 2.83Å; V73-L75 VanDerWaalsContact C-N 3.33Å; V73-L75 PolarHBondContact O-N 3.15Å; L75-W82 HydrophobicContact CD2-CZ3 3.9Å; L75-W82 HydrophobicContact CG-CZ3 4.15Å; L75-V83 HydrophobicContact CD2-CG1 4.08Å; L75-V83 HydrophobicContact CD2-CG2 4.3Å; L75-F86 HydrophobicContact CD2-CD1 4.11Å; L75-C121 HydrophobicContact CD1-CB 3.97Å; L75-A124 HydrophobicContact CB-CB 3.67Å; L75-F125 HydrophobicContact CD2-CB 4.37Å; L75-F125 HydrophobicContact CD2-CD2 4Å |
| 76 | T | 81.4 | Confident | 83.4 | Confident | 59 Ų | 59 | 34.2 Ų | 34.2 | 36% | 0.362 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -89.3 | -28 | 175.6 | 57.8 | 0 | 0 | 0 | 0 | 114.7 | R72 V73 S74 A124 | R72-T76 PolarHBondContact O-N 2.94Å; R72-T76 PolarHBondContact O-OG1 3.04Å; V73-T76 CarbonylContact O-C 3.59Å; V73-T76 WeakPolarHBondContact O-CA 3.47Å; V73-T76 PolarHBondContact O-N 2.85Å; V73-T76 PolarHBondContact O-OG1 3.29Å; S74-T76 VanDerWaalsContact C-N 3.27Å; S74-T76 PolarHBondContact O-N 3.46Å; T76-A124 HydrophobicContact CG2-CB 3.54Å |
| 77 | S | 77.8 | Confident | 83.3 | Confident | 60 Ų | 60 | 31.6 Ų | 31.6 | 42% | 0.42 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -98.5 | -23.1 | -171.7 | 65.5 | 0 | 0 | 0 | 0 | 114.6 | V73 S74 | V73-S77 WeakPolarHBondContact O-CB 3.34Å; V73-S77 PolarHBondContact O-N 3.12Å; V73-S77 PolarHBondContact O-OG 3.5Å; V73-S77 VanDerWaalsContact O-OG 3.12Å; S74-S77 PolarHBondContact O-N 3.48Å |
| 78 | N | 80.6 | Confident | 83.2 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 9% | 0.086 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -96.8 | 163.1 | -171.9 | -58.5 | -16.3 | 0 | 0 | 0 | 111.6 | S74 W82 | S74-N78 WeakPolarHBondContact O-CB 3.34Å; S74-N78 PolarHBondContact O-N 2.95Å; S74-N78 PolarHBondContact O-ND2 3.35Å; N78-W82 HydrophobicContact CB-CB 3.78Å; N78-W82 HydrophobicContact CB-CD2 3.88Å; N78-W82 HydrophobicContact CB-CE3 4.34Å; N78-W82 HydrophobicContact CB-CG 3.62Å; N78-W82 PolarHBondContact ND2-NE1 2.62Å |
| 79 | P | 74.6 | Confident | 83.1 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 20% | 0.201 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -56.4 | 157.3 | 179.3 | -33.4 | 41.2 | 0 | 0 | 0 | 115.9 | D4 Y30 S81 W82 V83 | D4-P79 VanDerWaalsContact O-CA 3.31Å; D4-P79 WeakPolarHBondContact O-CA 3.45Å; D4-P79 WeakPolarHBondContact OD1-CB 3.44Å; Y30-P79 WeakPolarHBondContact OH-CG 3.41Å; P79-S81 WeakPolarHBondContact CB-OG 3.42Å; P79-S81 PolarHBondContact O-N 2.89Å; P79-W82 WeakPolarHBondContact O-CA 3.36Å; P79-W82 WeakPolarHBondContact O-CB 3.49Å; P79-W82 PolarHBondContact O-N 3.5Å; P79-V83 PolarHBondContact O-N 3.47Å |
| 80 | V | 77 | Confident | 83.3 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 4% | 0.036 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.3 | -36.4 | 173 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | W82 V83 Q84 N128 T943 | V80-W82 VanDerWaalsContact C-N 3.26Å; V80-W82 PolarHBondContact O-N 2.81Å; V80-V83 CarbonylContact O-C 3.57Å; V80-V83 WeakPolarHBondContact O-CA 3.43Å; V80-V83 WeakPolarHBondContact O-CB 3.46Å; V80-V83 PolarHBondContact O-N 2.98Å; V80-Q84 HydrophobicContact CG1-CG 4.35Å; V80-Q84 WeakPolarHBondContact O-CG 3.34Å; V80-Q84 PolarHBondContact O-N 3.13Å; V80-N128 HydrophobicContact CG1-CB 4.24Å; V80-N128 HydrophobicContact CG2-CB 4.22Å; V80-T943 HydrophobicContact CG2-CG2 3.22Å |
| 81 | S | 77.8 | Confident | 83.5 | Confident | 62 Ų | 62 | 36.6 Ų | 36.6 | 43% | 0.434 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.1 | -28.9 | 173.3 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | P79 S85 | P79-S81 WeakPolarHBondContact CB-OG 3.42Å; P79-S81 PolarHBondContact O-N 2.89Å; S81-S85 WeakPolarHBondContact O-CB 3.48Å; S81-S85 PolarHBondContact O-N 2.84Å; S81-S85 PolarHBondContact O-OG 3.01Å |
| 82 | W | 85.5 | Confident | 83.6 | Confident | 32 Ų | 32 | 37.6 Ų | 37.6 | 12% | 0.121 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.7 | -42.6 | 170.9 | -169.2 | 104.9 | 0 | 0 | 0 | 110.8 | P48 F51 L71 L75 N78 P79 V80 S85 F86 | P48-W82 HydrophobicContact CB-CZ2 4.5Å; P48-W82 HydrophobicContact CG-CD2 3.95Å; P48-W82 HydrophobicContact CG-CG 4.04Å; P48-W82 HydrophobicContact CG-CZ2 4.15Å; F51-W82 AromaticContact CD2-CH2 3.82Å; F51-W82 HydrophobicContact CD2-CH2 3.82Å; F51-W82 AromaticContact CD2-CZ2 3.76Å; F51-W82 HydrophobicContact CD2-CZ2 3.76Å; F51-W82 AromaticContact CE2-CH2 3.98Å; F51-W82 HydrophobicContact CE2-CH2 3.98Å; F51-W82 AromaticContact CE2-CZ2 3.83Å; F51-W82 HydrophobicContact CE2-CZ2 3.83Å; L71-W82 HydrophobicContact CD1-CH2 3.91Å; L71-W82 HydrophobicContact CD1-CZ3 4.33Å; L75-W82 HydrophobicContact CD2-CZ3 3.9Å; L75-W82 HydrophobicContact CG-CZ3 4.15Å; N78-W82 HydrophobicContact CB-CB 3.78Å; N78-W82 HydrophobicContact CB-CD2 3.88Å; N78-W82 HydrophobicContact CB-CE3 4.34Å; N78-W82 HydrophobicContact CB-CG 3.62Å; N78-W82 PolarHBondContact ND2-NE1 2.62Å; P79-W82 WeakPolarHBondContact O-CA 3.36Å; P79-W82 WeakPolarHBondContact O-CB 3.49Å; P79-W82 PolarHBondContact O-N 3.5Å; V80-W82 VanDerWaalsContact C-N 3.26Å; V80-W82 PolarHBondContact O-N 2.81Å; W82-S85 WeakPolarHBondContact O-CB 3.15Å; W82-S85 PolarHBondContact O-N 3.24Å; W82-S85 VanDerWaalsContact O-N 3.15Å; W82-F86 HydrophobicContact CZ3-CB 4.26Å; W82-F86 PolarHBondContact O-N 3.01Å |
| 83 | V | 84.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.5 | -40 | 177 | -173.4 | 0 | 0 | 0 | 0 | 111.3 | L75 P79 V80 S85 F86 G87 F125 | L75-V83 HydrophobicContact CD2-CG1 4.08Å; L75-V83 HydrophobicContact CD2-CG2 4.3Å; P79-V83 PolarHBondContact O-N 3.47Å; V80-V83 CarbonylContact O-C 3.57Å; V80-V83 WeakPolarHBondContact O-CA 3.43Å; V80-V83 WeakPolarHBondContact O-CB 3.46Å; V80-V83 PolarHBondContact O-N 2.98Å; V83-S85 VanDerWaalsContact C-N 3.3Å; V83-S85 PolarHBondContact O-N 3.21Å; V83-F86 PolarHBondContact O-N 3.47Å; V83-G87 PolarHBondContact O-N 3.18Å; V83-F125 HydrophobicContact CG1-CD2 3.52Å; V83-F125 HydrophobicContact CG1-CE2 3.8Å; V83-F125 HydrophobicContact CG1-CG 4.29Å |
| 84 | Q | 84.1 | Confident | 84 | Confident | 86 Ų | 86 | 33 Ų | 33 | 40% | 0.402 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.9 | -36.1 | 171.1 | -69.9 | 172.5 | 1 | 0 | 0 | 112.5 | V80 G87 Y130 | V80-Q84 HydrophobicContact CG1-CG 4.35Å; V80-Q84 WeakPolarHBondContact O-CG 3.34Å; V80-Q84 PolarHBondContact O-N 3.13Å; Q84-G87 VanDerWaalsContact O-CA 3.31Å; Q84-G87 WeakPolarHBondContact O-CA 3.35Å; Q84-G87 PolarHBondContact O-N 3.13Å; Q84-Y130 HydrophobicContact CB-CE1 4.41Å; Q84-Y130 HydrophobicContact CB-CE2 4.46Å; Q84-Y130 HydrophobicContact CG-CD1 3.9Å; Q84-Y130 HydrophobicContact CG-CD2 3.79Å; Q84-Y130 HydrophobicContact CG-CE1 4.2Å; Q84-Y130 HydrophobicContact CG-CE2 4.04Å; Q84-Y130 HydrophobicContact CG-CG 3.71Å |
| 85 | S | 83.6 | Confident | 84.4 | Confident | 70 Ų | 70 | 32.6 Ų | 32.6 | 49% | 0.49 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -75.2 | -23.8 | 177.8 | -60.8 | 0 | 0 | 0 | 0 | 113.9 | S81 W82 V83 | S81-S85 WeakPolarHBondContact O-CB 3.48Å; S81-S85 PolarHBondContact O-N 2.84Å; S81-S85 PolarHBondContact O-OG 3.01Å; W82-S85 WeakPolarHBondContact O-CB 3.15Å; W82-S85 PolarHBondContact O-N 3.24Å; W82-S85 VanDerWaalsContact O-N 3.15Å; V83-S85 VanDerWaalsContact C-N 3.3Å; V83-S85 PolarHBondContact O-N 3.21Å |
| 86 | F | 86.8 | Confident | 84.7 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -77.5 | -47.1 | 166.6 | -179.5 | -104.6 | 0 | 0 | 0 | 110.2 | P48 F51 L52 L55 L71 L75 W82 V83 G90 L94 F125 | P48-F86 HydrophobicContact CB-CB 4.35Å; F51-F86 HydrophobicContact CB-CE2 4.44Å; L52-F86 HydrophobicContact CD2-CD2 4.06Å; L52-F86 HydrophobicContact CD2-CE2 4.03Å; L52-F86 HydrophobicContact CG-CD2 4.25Å; L52-F86 HydrophobicContact CG-CE2 4.48Å; L55-F86 HydrophobicContact CD1-CE2 4.12Å; L55-F86 HydrophobicContact CD1-CZ 4.15Å; L71-F86 HydrophobicContact CD1-CD2 4.21Å; L71-F86 HydrophobicContact CD1-CE2 3.81Å; L71-F86 HydrophobicContact CD1-CZ 4.02Å; L71-F86 HydrophobicContact CD2-CE2 4.08Å; L71-F86 HydrophobicContact CD2-CZ 3.79Å; L71-F86 HydrophobicContact CG-CZ 4.47Å; L75-F86 HydrophobicContact CD2-CD1 4.11Å; W82-F86 HydrophobicContact CZ3-CB 4.26Å; W82-F86 PolarHBondContact O-N 3.01Å; V83-F86 PolarHBondContact O-N 3.47Å; F86-G90 VanDerWaalsContact CE1-CA 3.44Å; F86-G90 WeakPolarHBondContact CZ-O 3.18Å; F86-G90 PolarHBondContact O-N 2.77Å; F86-L94 HydrophobicContact CE1-CD1 3.82Å; F86-L94 HydrophobicContact CE1-CG 4.49Å; F86-L94 HydrophobicContact CZ-CD1 3.94Å; F86-L94 HydrophobicContact CZ-CG 4.21Å; F86-F125 HydrophobicContact CD1-CD2 4.13Å; F86-F125 HydrophobicContact CD1-CE2 4.1Å |
| 87 | G | 81.6 | Confident | 85.2 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | 59.6 | -153.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | V83 Q84 E89 G90 L91 Y130 | V83-G87 PolarHBondContact O-N 3.18Å; Q84-G87 VanDerWaalsContact O-CA 3.31Å; Q84-G87 WeakPolarHBondContact O-CA 3.35Å; Q84-G87 PolarHBondContact O-N 3.13Å; G87-E89 VanDerWaalsContact C-N 3.33Å; G87-E89 PolarHBondContact O-N 2.82Å; G87-G90 PolarHBondContact O-N 3.18Å; G87-L91 PolarHBondContact O-N 2.96Å; G87-Y130 WeakPolarHBondContact CA-OH 3.29Å |
| 88 | H | 84 | Confident | 85.8 | Confident | 107 Ų | 107 | 31.3 Ų | 31.3 | 50% | 0.495 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.1 | -37.6 | -179.4 | -173.3 | -41.9 | 0 | 0 | 0 | 112.8 | G92 | H88-G92 PolarHBondContact O-N 3.35Å |
| 89 | E | 87.3 | Confident | 86.3 | Confident | 92 Ų | 92 | 33.4 Ų | 33.4 | 43% | 0.43 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -69.2 | -41.5 | -179.5 | -168.3 | 177.5 | -125 | 0 | 0 | 111.2 | L52 K56 G87 G92 L93 | L52-E89 HydrophobicContact CD2-CB 4.24Å; L52-E89 HydrophobicContact CD2-CG 4.25Å; K56-E89 VanDerWaalsContact CE-CD 3.4Å; K56-E89 VanDerWaalsContact CE-OE1 3.25Å; K56-E89 WeakPolarHBondContact CE-OE1 3.25Å; K56-E89 WeakPolarHBondContact CE-OE2 3.23Å; K56-E89 IonicContact NZ-OE1 3.19Å; K56-E89 PolarHBondContact NZ-OE1 2.8Å; K56-E89 IonicContact NZ-OE2 2.73Å; K56-E89 PolarHBondContact NZ-OE2 3.35Å; G87-E89 VanDerWaalsContact C-N 3.33Å; G87-E89 PolarHBondContact O-N 2.82Å; E89-G92 PolarHBondContact O-N 2.95Å; E89-L93 HydrophobicContact CG-CD1 4.3Å; E89-L93 WeakPolarHBondContact O-CD1 3.36Å; E89-L93 VanDerWaalsContact O-CG 3.29Å; E89-L93 WeakPolarHBondContact O-CG 3.48Å; E89-L93 PolarHBondContact O-N 2.93Å |
| 90 | G | 88.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.3 | -39.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F86 G87 L94 | F86-G90 VanDerWaalsContact CE1-CA 3.44Å; F86-G90 WeakPolarHBondContact CZ-O 3.18Å; F86-G90 PolarHBondContact O-N 2.77Å; G87-G90 PolarHBondContact O-N 3.18Å; G90-L94 WeakPolarHBondContact O-CG 3.5Å; G90-L94 PolarHBondContact O-N 3.19Å; G90-L94 VanDerWaalsContact O-N 3.08Å |
| 91 | L | 90.3 | Very high | 87.6 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -50.5 | 172.2 | 177.4 | 60.9 | 0 | 0 | 0 | 111.3 | G87 L93 L94 L95 L122 F125 R134 I135 E138 | G87-L91 PolarHBondContact O-N 2.96Å; L91-L93 PolarHBondContact O-N 3.09Å; L91-L94 PolarHBondContact O-N 3.48Å; L91-L94 VanDerWaalsContact O-N 3.14Å; L91-L95 HydrophobicContact CD1-CD1 4.04Å; L91-L95 HydrophobicContact CD1-CG 4.11Å; L91-L95 HydrophobicContact CG-CD1 4Å; L91-L95 HydrophobicContact CG-CG 4.45Å; L91-L95 WeakPolarHBondContact O-CG 3.37Å; L91-L95 PolarHBondContact O-N 2.83Å; L91-L122 HydrophobicContact CD1-CD2 3.56Å; L91-F125 HydrophobicContact CB-CE1 4.34Å; L91-F125 HydrophobicContact CB-CZ 4.16Å; L91-F125 HydrophobicContact CD1-CE1 4.31Å; L91-F125 HydrophobicContact CD2-CE1 4.07Å; L91-F125 HydrophobicContact CD2-CZ 4.49Å; L91-F125 HydrophobicContact CG-CE1 4.47Å; L91-R134 HydrophobicContact CD2-CB 4.06Å; L91-I135 HydrophobicContact CD1-CD1 3.88Å; L91-I135 HydrophobicContact CD1-CG1 3.67Å; L91-I135 HydrophobicContact CD2-CG1 3.84Å; L91-I135 HydrophobicContact CG-CG1 4.43Å; L91-E138 HydrophobicContact CD2-CB 4.39Å |
| 92 | G | 89.2 | Confident | 88.1 | Confident | 20 Ų | 20 | 35.6 Ų | 35.6 | 21% | 0.206 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.5 | -46.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H88 E89 L94 L95 D96 | H88-G92 PolarHBondContact O-N 3.35Å; E89-G92 PolarHBondContact O-N 2.95Å; G92-L94 VanDerWaalsContact C-N 3.35Å; G92-L94 PolarHBondContact O-N 2.7Å; G92-L95 PolarHBondContact O-N 3.21Å; G92-L95 VanDerWaalsContact O-N 3.17Å; G92-D96 PolarHBondContact O-N 3.33Å |
| 93 | L | 90.2 | Very high | 88.1 | Confident | 31 Ų | 31 | 38.6 Ų | 38.6 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -38.9 | 176.5 | -69.8 | 164.5 | 0 | 0 | 0 | 113 | L52 L55 K56 E89 L91 I97 | L52-L93 HydrophobicContact CD2-CD1 3.81Å; L55-L93 HydrophobicContact CB-CB 4.28Å; L55-L93 HydrophobicContact CB-CD1 4.21Å; L55-L93 HydrophobicContact CD1-CB 4.33Å; K56-L93 HydrophobicContact CD-CD1 4.47Å; K56-L93 HydrophobicContact CG-CD1 3.83Å; K56-L93 HydrophobicContact CG-CD2 3.89Å; E89-L93 HydrophobicContact CG-CD1 4.3Å; E89-L93 WeakPolarHBondContact O-CD1 3.36Å; E89-L93 VanDerWaalsContact O-CG 3.29Å; E89-L93 WeakPolarHBondContact O-CG 3.48Å; E89-L93 PolarHBondContact O-N 2.93Å; L91-L93 PolarHBondContact O-N 3.09Å; L93-I97 WeakPolarHBondContact O-CB 3.39Å; L93-I97 WeakPolarHBondContact O-CD1 3.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.42Å; L93-I97 PolarHBondContact O-N 3.03Å; L93-I97 VanDerWaalsContact O-N 3.11Å |
| 94 | L | 91.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.5 | -41.1 | 174.5 | -73.8 | 175.2 | 0 | 0 | 0 | 111.8 | L55 L68 L71 F86 G90 L91 G92 L98 I118 C121 L122 | L55-L94 HydrophobicContact CD1-CD2 4.49Å; L68-L94 HydrophobicContact CD2-CD2 3.62Å; L71-L94 HydrophobicContact CD2-CD1 4.49Å; L71-L94 HydrophobicContact CD2-CD2 4.01Å; F86-L94 HydrophobicContact CE1-CD1 3.82Å; F86-L94 HydrophobicContact CE1-CG 4.49Å; F86-L94 HydrophobicContact CZ-CD1 3.94Å; F86-L94 HydrophobicContact CZ-CG 4.21Å; G90-L94 WeakPolarHBondContact O-CG 3.5Å; G90-L94 PolarHBondContact O-N 3.19Å; G90-L94 VanDerWaalsContact O-N 3.08Å; L91-L94 PolarHBondContact O-N 3.48Å; L91-L94 VanDerWaalsContact O-N 3.14Å; G92-L94 VanDerWaalsContact C-N 3.35Å; G92-L94 PolarHBondContact O-N 2.7Å; L94-L98 WeakPolarHBondContact O-CB 3.47Å; L94-L98 PolarHBondContact O-N 3.05Å; L94-I118 HydrophobicContact CB-CG2 4.12Å; L94-I118 HydrophobicContact CD2-CG1 4.48Å; L94-I118 HydrophobicContact CD2-CG2 4.26Å; L94-C121 HydrophobicContact CD1-CB 3.92Å; L94-C121 HydrophobicContact CD2-CB 4.38Å; L94-L122 HydrophobicContact CB-CD2 4.5Å |
| 95 | L | 92.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.4 | -45 | 178.4 | -66.6 | 175.6 | 0 | 0 | 0 | 112 | L91 G92 I97 L98 E99 L122 E138 K140 S141 L144 | L91-L95 HydrophobicContact CD1-CD1 4.04Å; L91-L95 HydrophobicContact CD1-CG 4.11Å; L91-L95 HydrophobicContact CG-CD1 4Å; L91-L95 HydrophobicContact CG-CG 4.45Å; L91-L95 WeakPolarHBondContact O-CG 3.37Å; L91-L95 PolarHBondContact O-N 2.83Å; G92-L95 PolarHBondContact O-N 3.21Å; G92-L95 VanDerWaalsContact O-N 3.17Å; L95-I97 VanDerWaalsContact C-N 3.33Å; L95-I97 PolarHBondContact O-N 3.49Å; L95-L98 WeakPolarHBondContact O-CB 3.47Å; L95-L98 PolarHBondContact O-N 3.34Å; L95-E99 WeakPolarHBondContact O-CB 3.47Å; L95-E99 PolarHBondContact O-N 3Å; L95-L122 HydrophobicContact CD2-CD1 4.25Å; L95-L122 HydrophobicContact CD2-CD2 4.28Å; L95-E138 HydrophobicContact CD1-CG 3.58Å; L95-K140 HydrophobicContact CD1-CB 4.45Å; L95-S141 WeakPolarHBondContact CD1-OG 3.38Å; L95-L144 HydrophobicContact CB-CD1 3.9Å; L95-L144 HydrophobicContact CD2-CD1 4.06Å; L95-L144 WeakPolarHBondContact O-CD1 3.37Å |
| 96 | D | 90.9 | Very high | 87.3 | Confident | 78 Ų | 78 | 52.7 Ų | 52.7 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.9 | -35.6 | 177.8 | -70.7 | -23 | 0 | 0 | 0 | 112 | G92 R100 K140 | G92-D96 PolarHBondContact O-N 3.33Å; D96-R100 WeakPolarHBondContact O-CB 3.12Å; D96-R100 PolarHBondContact O-N 3.29Å; D96-K140 IonicContact OD1-NZ 3.83Å; D96-K140 PolarHBondContact OD1-NZ 2.81Å |
| 97 | I | 90.3 | Very high | 86.9 | Confident | 13 Ų | 13 | 55 Ų | 55 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.5 | -40.7 | 173 | -66.1 | 167.1 | 0 | 0 | 0 | 110.7 | L55 L64 L93 L95 R100 L101 I118 | L55-I97 HydrophobicContact CB-CD1 4.32Å; L55-I97 HydrophobicContact CD2-CD1 3.77Å; L64-I97 HydrophobicContact CD2-CG2 4.1Å; L93-I97 WeakPolarHBondContact O-CB 3.39Å; L93-I97 WeakPolarHBondContact O-CD1 3.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.42Å; L93-I97 PolarHBondContact O-N 3.03Å; L93-I97 VanDerWaalsContact O-N 3.11Å; L95-I97 VanDerWaalsContact C-N 3.33Å; L95-I97 PolarHBondContact O-N 3.49Å; I97-R100 PolarHBondContact O-N 3.02Å; I97-L101 HydrophobicContact CG2-CD1 4.05Å; I97-L101 HydrophobicContact CG2-CG 4.49Å; I97-L101 WeakPolarHBondContact O-CB 3.44Å; I97-L101 VanDerWaalsContact O-CG 3.28Å; I97-L101 WeakPolarHBondContact O-CG 3.46Å; I97-L101 PolarHBondContact O-N 3Å; I97-I118 HydrophobicContact CB-CD1 4.3Å; I97-I118 HydrophobicContact CG2-CD1 3.71Å |
| 98 | L | 91.4 | Very high | 87 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 175.4 | -179.2 | 60.2 | 0 | 0 | 0 | 111.3 | L94 L95 L101 L102 Q115 I118 L122 L144 | L94-L98 WeakPolarHBondContact O-CB 3.47Å; L94-L98 PolarHBondContact O-N 3.05Å; L95-L98 WeakPolarHBondContact O-CB 3.47Å; L95-L98 PolarHBondContact O-N 3.34Å; L98-L101 PolarHBondContact O-N 3.23Å; L98-L102 HydrophobicContact CD1-CD1 3.98Å; L98-L102 HydrophobicContact CD1-CG 4.04Å; L98-L102 HydrophobicContact CG-CD1 3.82Å; L98-L102 HydrophobicContact CG-CG 4.31Å; L98-L102 WeakPolarHBondContact O-CB 3.21Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.31Å; L98-L102 PolarHBondContact O-N 3.11Å; L98-Q115 HydrophobicContact CD1-CB 4.39Å; L98-Q115 HydrophobicContact CD1-CG 4.45Å; L98-I118 HydrophobicContact CB-CD1 4.19Å; L98-I118 HydrophobicContact CB-CG2 4.04Å; L98-I118 HydrophobicContact CD2-CG2 4.35Å; L98-L122 HydrophobicContact CD2-CD1 4.2Å; L98-L144 HydrophobicContact CD2-CB 4.22Å |
| 99 | E | 91.4 | Very high | 86.9 | Confident | 60 Ų | 60 | 63.9 Ų | 63.9 | 28% | 0.28 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -55.5 | -54.2 | 174.3 | -175.9 | 163.5 | -152 | 0 | 0 | 110.8 | L95 L101 L102 F103 K140 L144 | L95-E99 WeakPolarHBondContact O-CB 3.47Å; L95-E99 PolarHBondContact O-N 3Å; E99-L101 VanDerWaalsContact C-N 3.26Å; E99-L101 PolarHBondContact O-N 3.23Å; E99-L102 PolarHBondContact O-N 3.24Å; E99-L102 VanDerWaalsContact O-N 3.13Å; E99-F103 HydrophobicContact CG-CD2 3.69Å; E99-F103 HydrophobicContact CG-CE2 3.73Å; E99-F103 WeakPolarHBondContact O-CD2 3.27Å; E99-F103 PolarHBondContact O-N 2.89Å; E99-K140 IonicContact OE2-NZ 2.82Å; E99-K140 PolarHBondContact OE2-NZ 3.11Å; E99-L144 HydrophobicContact CB-CD1 4.13Å; E99-L144 HydrophobicContact CB-CD2 3.72Å; E99-L144 HydrophobicContact CG-CD2 4.02Å |
| 100 | R | 89.9 | Confident | 86.8 | Confident | 110 Ų | 110 | 61.1 Ų | 61.1 | 42% | 0.415 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55.6 | -37.7 | 176.4 | -176.5 | 177.8 | 66 | 154.7 | 4 | 113 | M60 D96 I97 | M60-R100 PolarHBondContact SD-NH1 2.81Å; M60-R100 VanDerWaalsContact SD-NH1 3.37Å; M60-R100 PolarHBondContact SD-NH2 3.39Å; M60-R100 VanDerWaalsContact SD-NH2 3.44Å; D96-R100 WeakPolarHBondContact O-CB 3.12Å; D96-R100 PolarHBondContact O-N 3.29Å; I97-R100 PolarHBondContact O-N 3.02Å |
| 101 | L | 88.6 | Confident | 86.7 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -78.1 | -32 | 178.2 | -70.6 | 173.2 | 0 | 0 | 0 | 113.3 | I97 L98 E99 D111 N114 Q115 I118 | I97-L101 HydrophobicContact CG2-CD1 4.05Å; I97-L101 HydrophobicContact CG2-CG 4.49Å; I97-L101 WeakPolarHBondContact O-CB 3.44Å; I97-L101 VanDerWaalsContact O-CG 3.28Å; I97-L101 WeakPolarHBondContact O-CG 3.46Å; I97-L101 PolarHBondContact O-N 3Å; L98-L101 PolarHBondContact O-N 3.23Å; E99-L101 VanDerWaalsContact C-N 3.26Å; E99-L101 PolarHBondContact O-N 3.23Å; L101-D111 HydrophobicContact CD2-CB 4.1Å; L101-D111 WeakPolarHBondContact CD2-OD1 3.16Å; L101-N114 HydrophobicContact CD1-CB 3.74Å; L101-Q115 HydrophobicContact CB-CG 3.8Å; L101-Q115 HydrophobicContact CD1-CG 4.37Å; L101-Q115 PolarHBondContact O-NE2 3.46Å; L101-I118 HydrophobicContact CD1-CD1 3.84Å |
| 102 | L | 87.4 | Confident | 86.5 | Confident | 31 Ų | 31 | 63 Ų | 63 | 16% | 0.162 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -75.7 | -33.3 | 177.6 | -72.7 | 172.4 | 0 | 0 | 0 | 112.2 | L98 E99 K104 L144 R147 A148 | L98-L102 HydrophobicContact CD1-CD1 3.98Å; L98-L102 HydrophobicContact CD1-CG 4.04Å; L98-L102 HydrophobicContact CG-CD1 3.82Å; L98-L102 HydrophobicContact CG-CG 4.31Å; L98-L102 WeakPolarHBondContact O-CB 3.21Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.31Å; L98-L102 PolarHBondContact O-N 3.11Å; E99-L102 PolarHBondContact O-N 3.24Å; E99-L102 VanDerWaalsContact O-N 3.13Å; L102-K104 VanDerWaalsContact C-N 3.31Å; L102-K104 PolarHBondContact O-N 3.38Å; L102-L144 HydrophobicContact CD1-CD2 4.22Å; L102-R147 HydrophobicContact CD1-CB 4.11Å; L102-A148 HydrophobicContact CD1-CB 4.38Å; L102-A148 HydrophobicContact CD2-CB 4.39Å |
| 103 | F | 85.7 | Confident | 86.5 | Confident | 95 Ų | 95 | 67 Ų | 67 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -79.4 | -4.9 | 176.3 | -79.9 | -72.6 | 0 | 0 | 0 | 114.5 | E99 K105 W189 | E99-F103 HydrophobicContact CG-CD2 3.69Å; E99-F103 HydrophobicContact CG-CE2 3.73Å; E99-F103 WeakPolarHBondContact O-CD2 3.27Å; E99-F103 PolarHBondContact O-N 2.89Å; F103-K105 PolarHBondContact O-N 3.25Å; F103-K105 VanDerWaalsContact O-N 3.11Å; F103-W189 AromaticContact CD1-CZ2 3.89Å; F103-W189 HydrophobicContact CD1-CZ2 3.89Å; F103-W189 AromaticContact CE1-CE2 3.93Å; F103-W189 AromaticContact CE1-CZ2 3.96Å; F103-W189 HydrophobicContact CE1-CZ2 3.96Å; F103-W189 AromaticContact CE1-NE1 3.7Å |
| 104 | K | 86.1 | Confident | 86.5 | Confident | 71 Ų | 71 | 65.6 Ų | 65.6 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | trans | -69.8 | 105.3 | 177.2 | -172.2 | 177.4 | 175.1 | -178.8 | 0 | 110.6 | L102 Q106 P107 E108 D111 | L102-K104 VanDerWaalsContact C-N 3.31Å; L102-K104 PolarHBondContact O-N 3.38Å; K104-Q106 WeakPolarHBondContact CE-O 3Å; K104-Q106 PolarHBondContact O-N 3.15Å; K104-P107 WeakPolarHBondContact O-CD 3.05Å; K104-E108 IonicContact NZ-OE1 2.65Å; K104-E108 PolarHBondContact NZ-OE1 3.27Å; K104-D111 WeakPolarHBondContact CD-OD2 3.46Å; K104-D111 VanDerWaalsContact CE-OD2 3.29Å; K104-D111 WeakPolarHBondContact CE-OD2 3.48Å; K104-D111 IonicContact NZ-OD1 2.68Å; K104-D111 PolarHBondContact NZ-OD1 3.3Å; K104-D111 IonicContact NZ-OD2 3.09Å; K104-D111 PolarHBondContact NZ-OD2 3.47Å | ||
| 105 | K | 72.4 | Confident | 86.5 | Confident | 210 Ų | 210 | 66 Ų | 66 | 91% | 0.913 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -52 | -27.9 | -174.5 | -72.7 | -172 | 176.1 | -176.4 | 0 | 116.1 | F103 | F103-K105 PolarHBondContact O-N 3.25Å; F103-K105 VanDerWaalsContact O-N 3.11Å |
| 106 | Q | 76.1 | Confident | 86.5 | Confident | 170 Ų | 170 | 67.7 Ų | 67.7 | 79% | 0.794 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -129.8 | 98.1 | 166.3 | -69.7 | -154.2 | 2.3 | 0 | 0 | 108.8 | K104 | K104-Q106 WeakPolarHBondContact CE-O 3Å; K104-Q106 PolarHBondContact O-N 3.15Å |
| 107 | P | 78.9 | Confident | 86.6 | Confident | 50 Ų | 50 | 64.9 Ų | 64.9 | 33% | 0.325 | 29% | 0.294 | S | S | . | . | trans | -81.8 | 126.4 | 177.5 | 32.2 | -32 | 0 | 0 | 0 | 110 | K104 D111 K112 | K104-P107 WeakPolarHBondContact O-CD 3.05Å; P107-D111 HydrophobicContact CB-CB 4.04Å; P107-K112 HydrophobicContact CB-CG 4.45Å; P107-K112 HydrophobicContact CG-CD 4.41Å | ||
| 108 | E | 83.6 | Confident | 86.7 | Confident | 113 Ų | 113 | 64.3 Ų | 64.3 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | trans | -73.2 | 168.3 | 177.5 | -64.1 | 165.3 | -123.6 | 0 | 0 | 111.1 | K104 L110 D111 K112 | K104-E108 IonicContact NZ-OE1 2.65Å; K104-E108 PolarHBondContact NZ-OE1 3.27Å; E108-L110 PolarHBondContact O-N 3.22Å; E108-L110 VanDerWaalsContact O-N 3.11Å; E108-D111 WeakPolarHBondContact CB-OD2 3.39Å; E108-D111 PolarHBondContact N-OD2 2.7Å; E108-D111 PolarHBondContact O-N 3.21Å; E108-D111 VanDerWaalsContact O-N 3.13Å; E108-K112 PolarHBondContact O-N 3.17Å | ||
| 109 | K | 83.1 | Confident | 86.8 | Confident | 185 Ų | 185 | 64.3 Ų | 64.3 | 80% | 0.804 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.3 | -23 | 176.1 | -167.5 | 172.7 | -176.9 | 176.8 | 0 | 112.6 | K113 | K109-K113 WeakPolarHBondContact O-CG 3.26Å; K109-K113 PolarHBondContact O-N 3Å |
| 110 | L | 85.2 | Confident | 86.9 | Confident | 35 Ų | 35 | 63.5 Ų | 63.5 | 18% | 0.183 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -83.7 | -39.6 | 175.1 | -171.7 | 55.1 | 0 | 0 | 0 | 112.4 | D61 E62 F65 E108 K112 K113 N114 | D61-L110 HydrophobicContact CB-CD2 3.93Å; E62-L110 HydrophobicContact CG-CD1 4.27Å; E62-L110 HydrophobicContact CG-CD2 3.75Å; F65-L110 HydrophobicContact CB-CD1 4.46Å; E108-L110 PolarHBondContact O-N 3.22Å; E108-L110 VanDerWaalsContact O-N 3.11Å; L110-K112 VanDerWaalsContact C-N 3.35Å; L110-K112 PolarHBondContact O-N 3Å; L110-K113 HydrophobicContact CD1-CD 4.33Å; L110-K113 WeakPolarHBondContact O-CB 3.3Å; L110-K113 PolarHBondContact O-N 3.19Å; L110-K113 VanDerWaalsContact O-N 3.16Å; L110-N114 PolarHBondContact O-N 3.43Å |
| 111 | D | 86.2 | Confident | 87 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.032 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 172.1 | -59.5 | -57.2 | 0 | 0 | 0 | 111 | L101 K104 P107 E108 K113 N114 Q115 | L101-D111 HydrophobicContact CD2-CB 4.1Å; L101-D111 WeakPolarHBondContact CD2-OD1 3.16Å; K104-D111 WeakPolarHBondContact CD-OD2 3.46Å; K104-D111 VanDerWaalsContact CE-OD2 3.29Å; K104-D111 WeakPolarHBondContact CE-OD2 3.48Å; K104-D111 IonicContact NZ-OD1 2.68Å; K104-D111 PolarHBondContact NZ-OD1 3.3Å; K104-D111 IonicContact NZ-OD2 3.09Å; K104-D111 PolarHBondContact NZ-OD2 3.47Å; P107-D111 HydrophobicContact CB-CB 4.04Å; E108-D111 WeakPolarHBondContact CB-OD2 3.39Å; E108-D111 PolarHBondContact N-OD2 2.7Å; E108-D111 PolarHBondContact O-N 3.21Å; E108-D111 VanDerWaalsContact O-N 3.13Å; D111-K113 VanDerWaalsContact C-N 3.26Å; D111-K113 PolarHBondContact O-N 2.88Å; D111-N114 CarbonylContact O-C 3.59Å; D111-N114 PolarHBondContact O-N 3.29Å; D111-Q115 VanDerWaalsContact O-CG 3.31Å; D111-Q115 WeakPolarHBondContact O-CG 3.3Å; D111-Q115 PolarHBondContact O-N 2.92Å |
| 112 | K | 86.6 | Confident | 87.2 | Confident | 36 Ų | 36 | 58.2 Ų | 58.2 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.6 | -31.8 | 176.8 | -87.6 | 162 | 168.5 | -74.3 | 0 | 112.8 | P107 E108 L110 H116 D150 S152 Q153 | P107-K112 HydrophobicContact CB-CG 4.45Å; P107-K112 HydrophobicContact CG-CD 4.41Å; E108-K112 PolarHBondContact O-N 3.17Å; L110-K112 VanDerWaalsContact C-N 3.35Å; L110-K112 PolarHBondContact O-N 3Å; K112-H116 PolarHBondContact O-N 2.96Å; K112-D150 IonicContact NZ-OD2 2.7Å; K112-D150 PolarHBondContact NZ-OD2 2.94Å; K112-S152 PolarHBondContact NZ-OG 2.95Å; K112-Q153 HydrophobicContact CD-CG 4.49Å; K112-Q153 HydrophobicContact CG-CG 4.33Å |
| 113 | K | 88.4 | Confident | 87.3 | Confident | 105 Ų | 105 | 59.4 Ų | 59.4 | 46% | 0.457 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70 | -42.3 | 169.6 | -78.9 | 177.5 | 174.9 | -174.8 | 0 | 112.4 | F65 K109 L110 D111 H116 K117 | F65-K113 HydrophobicContact CD2-CB 4.02Å; F65-K113 HydrophobicContact CE2-CB 3.92Å; F65-K113 HydrophobicContact CE2-CD 4.4Å; K109-K113 WeakPolarHBondContact O-CG 3.26Å; K109-K113 PolarHBondContact O-N 3Å; L110-K113 HydrophobicContact CD1-CD 4.33Å; L110-K113 WeakPolarHBondContact O-CB 3.3Å; L110-K113 PolarHBondContact O-N 3.19Å; L110-K113 VanDerWaalsContact O-N 3.16Å; D111-K113 VanDerWaalsContact C-N 3.26Å; D111-K113 PolarHBondContact O-N 2.88Å; K113-H116 PolarHBondContact O-N 2.86Å; K113-K117 WeakPolarHBondContact O-CB 3.39Å; K113-K117 PolarHBondContact O-N 3.14Å |
| 114 | N | 90 | Very high | 87.5 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 180 | -74.4 | -19.2 | 0 | 0 | 0 | 111.4 | D61 F65 L68 L101 L110 D111 H116 K117 I118 | D61-N114 PolarHBondContact O-ND2 3.49Å; F65-N114 VanDerWaalsContact CA-OD1 3.29Å; F65-N114 WeakPolarHBondContact CA-OD1 3.36Å; F65-N114 VanDerWaalsContact CB-OD1 3.24Å; F65-N114 WeakPolarHBondContact CB-OD1 3.42Å; F65-N114 WeakPolarHBondContact CD2-OD1 3.38Å; F65-N114 PolarHBondContact N-OD1 3.18Å; L68-N114 HydrophobicContact CD1-CB 4.46Å; L101-N114 HydrophobicContact CD1-CB 3.74Å; L110-N114 PolarHBondContact O-N 3.43Å; D111-N114 CarbonylContact O-C 3.59Å; D111-N114 PolarHBondContact O-N 3.29Å; N114-H116 PolarHBondContact O-N 3.36Å; N114-K117 PolarHBondContact O-N 3.48Å; N114-K117 VanDerWaalsContact O-N 3.16Å; N114-I118 WeakPolarHBondContact O-CG1 3.09Å; N114-I118 PolarHBondContact O-N 3.31Å |
| 115 | Q | 91.1 | Very high | 87.7 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -52.6 | -53.9 | 170.9 | -69.7 | 167.5 | -8.8 | 0 | 0 | 111 | L98 L101 D111 K117 I118 V119 M156 | L98-Q115 HydrophobicContact CD1-CB 4.39Å; L98-Q115 HydrophobicContact CD1-CG 4.45Å; L101-Q115 HydrophobicContact CB-CG 3.8Å; L101-Q115 HydrophobicContact CD1-CG 4.37Å; L101-Q115 PolarHBondContact O-NE2 3.46Å; D111-Q115 VanDerWaalsContact O-CG 3.31Å; D111-Q115 WeakPolarHBondContact O-CG 3.3Å; D111-Q115 PolarHBondContact O-N 2.92Å; Q115-K117 VanDerWaalsContact C-N 3.3Å; Q115-K117 PolarHBondContact O-N 2.96Å; Q115-I118 PolarHBondContact O-N 3.34Å; Q115-V119 PolarHBondContact O-N 3.4Å; Q115-V119 VanDerWaalsContact O-N 3.11Å; Q115-M156 HydrophobicContact CB-CE 4.41Å; Q115-M156 HydrophobicContact CB-SD 3.61Å |
| 116 | H | 93 | Very high | 88.4 | Confident | 40 Ų | 40 | 41.8 Ų | 41.8 | 19% | 0.185 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -37 | 178.3 | -170.9 | -166.1 | 0 | 0 | 0 | 112 | K112 K113 N114 I118 V119 Q120 G155 M156 D159 | K112-H116 PolarHBondContact O-N 2.96Å; K113-H116 PolarHBondContact O-N 2.86Å; N114-H116 PolarHBondContact O-N 3.36Å; H116-I118 VanDerWaalsContact C-N 3.35Å; H116-I118 PolarHBondContact O-N 2.68Å; H116-V119 PolarHBondContact O-N 2.88Å; H116-Q120 PolarHBondContact CE1-NE2 3.02Å; H116-Q120 PolarHBondContact NE2-NE2 3.31Å; H116-Q120 WeakPolarHBondContact O-CG 3.48Å; H116-Q120 PolarHBondContact O-N 2.59Å; H116-G155 PolarHBondContact NE2-O 2.89Å; H116-M156 HydrophobicContact CB-CB 3.92Å; H116-M156 HydrophobicContact CB-CG 4.01Å; H116-M156 HydrophobicContact CB-SD 4.06Å; H116-M156 VanDerWaalsContact CD2-CA 3.48Å; H116-M156 WeakPolarHBondContact CD2-CA 3.35Å; H116-M156 PolarHBondContact N-SD 3.16Å; H116-M156 VanDerWaalsContact N-SD 3.44Å; H116-D159 IonicContact CD2-OD2 2.68Å; H116-D159 IonicContact CE1-OD2 3.01Å; H116-D159 IonicContact NE2-OD2 2.99Å; H116-D159 PolarHBondContact NE2-OD2 3.48Å |
| 117 | K | 92.5 | Very high | 89 | Confident | 19 Ų | 19 | 34.1 Ų | 34.1 | 8% | 0.083 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 177.5 | -162.7 | 58.7 | 53 | -179.7 | 0 | 112.4 | F65 L68 D69 K113 N114 Q115 Q120 C121 | F65-K117 HydrophobicContact CE2-CB 4.41Å; L68-K117 HydrophobicContact CB-CB 4.17Å; L68-K117 HydrophobicContact CB-CG 3.48Å; L68-K117 VanDerWaalsContact CB-CG 3.48Å; L68-K117 HydrophobicContact CD1-CB 4.37Å; D69-K117 HydrophobicContact CB-CD 4.2Å; D69-K117 WeakPolarHBondContact OD1-CD 3.44Å; D69-K117 WeakPolarHBondContact OD1-CE 3.5Å; D69-K117 IonicContact OD1-NZ 2.74Å; D69-K117 PolarHBondContact OD1-NZ 3.18Å; K113-K117 WeakPolarHBondContact O-CB 3.39Å; K113-K117 PolarHBondContact O-N 3.14Å; N114-K117 PolarHBondContact O-N 3.48Å; N114-K117 VanDerWaalsContact O-N 3.16Å; Q115-K117 VanDerWaalsContact C-N 3.3Å; Q115-K117 PolarHBondContact O-N 2.96Å; K117-Q120 WeakPolarHBondContact O-CB 3.37Å; K117-Q120 PolarHBondContact O-N 3.46Å; K117-C121 PolarHBondContact O-N 3.04Å; K117-C121 PolarHBondContact O-SG 3.4Å; K117-C121 VanDerWaalsContact O-SG 3.36Å |
| 118 | I | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.5 | -42.9 | 174.8 | -62.6 | 160.4 | 0 | 0 | 0 | 110.7 | L68 L94 I97 L98 L101 N114 Q115 H116 Q120 C121 L122 | L68-I118 HydrophobicContact CD1-CD1 4.32Å; L68-I118 HydrophobicContact CD1-CG1 3.76Å; L68-I118 HydrophobicContact CD2-CG1 3.95Å; L94-I118 HydrophobicContact CB-CG2 4.12Å; L94-I118 HydrophobicContact CD2-CG1 4.48Å; L94-I118 HydrophobicContact CD2-CG2 4.26Å; I97-I118 HydrophobicContact CB-CD1 4.3Å; I97-I118 HydrophobicContact CG2-CD1 3.71Å; L98-I118 HydrophobicContact CB-CD1 4.19Å; L98-I118 HydrophobicContact CB-CG2 4.04Å; L98-I118 HydrophobicContact CD2-CG2 4.35Å; L101-I118 HydrophobicContact CD1-CD1 3.84Å; N114-I118 WeakPolarHBondContact O-CG1 3.09Å; N114-I118 PolarHBondContact O-N 3.31Å; Q115-I118 PolarHBondContact O-N 3.34Å; H116-I118 VanDerWaalsContact C-N 3.35Å; H116-I118 PolarHBondContact O-N 2.68Å; I118-Q120 PolarHBondContact O-N 2.85Å; I118-C121 CarbonylContact O-C 3.44Å; I118-C121 WeakPolarHBondContact O-CA 3.23Å; I118-C121 WeakPolarHBondContact O-CB 3.37Å; I118-C121 PolarHBondContact O-N 3.4Å; I118-L122 HydrophobicContact CG2-CD1 4.31Å; I118-L122 HydrophobicContact CG2-CG 4.34Å; I118-L122 WeakPolarHBondContact O-CG 3.49Å; I118-L122 PolarHBondContact O-N 3.11Å |
| 119 | V | 93.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.9 | -38.4 | 173.3 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | Q115 H116 L122 K123 M156 D159 V160 L163 | Q115-V119 PolarHBondContact O-N 3.4Å; Q115-V119 VanDerWaalsContact O-N 3.11Å; H116-V119 PolarHBondContact O-N 2.88Å; V119-L122 PolarHBondContact O-N 3.36Å; V119-K123 WeakPolarHBondContact O-CB 3.34Å; V119-K123 PolarHBondContact O-N 3.23Å; V119-M156 HydrophobicContact CG2-CG 4.19Å; V119-M156 HydrophobicContact CG2-SD 4.5Å; V119-D159 HydrophobicContact CG1-CB 3.75Å; V119-V160 HydrophobicContact CG1-CG2 3.82Å; V119-V160 HydrophobicContact CG2-CG2 3.89Å; V119-L163 HydrophobicContact CG1-CD1 3.73Å |
| 120 | Q | 93.1 | Very high | 89.3 | Confident | 44 Ų | 44 | 24.7 Ų | 24.7 | 21% | 0.206 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.5 | -34.4 | 173.2 | -68.8 | -177.8 | -10.4 | 0 | 0 | 113.1 | R72 H116 K117 I118 A124 | R72-Q120 HydrophobicContact CG-CB 4.08Å; H116-Q120 PolarHBondContact CE1-NE2 3.02Å; H116-Q120 PolarHBondContact NE2-NE2 3.31Å; H116-Q120 WeakPolarHBondContact O-CG 3.48Å; H116-Q120 PolarHBondContact O-N 2.59Å; K117-Q120 WeakPolarHBondContact O-CB 3.37Å; K117-Q120 PolarHBondContact O-N 3.46Å; I118-Q120 PolarHBondContact O-N 2.85Å; Q120-A124 PolarHBondContact O-N 3.33Å; Q120-A124 VanDerWaalsContact O-N 3.11Å |
| 121 | C | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.7 | -45.4 | 171 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | L68 L75 L94 K117 I118 K123 A124 F125 | L68-C121 PolarHBondContact O-SG 2.97Å; L68-C121 VanDerWaalsContact O-SG 3.41Å; L75-C121 HydrophobicContact CD1-CB 3.97Å; L94-C121 HydrophobicContact CD1-CB 3.92Å; L94-C121 HydrophobicContact CD2-CB 4.38Å; K117-C121 PolarHBondContact O-N 3.04Å; K117-C121 PolarHBondContact O-SG 3.4Å; K117-C121 VanDerWaalsContact O-SG 3.36Å; I118-C121 CarbonylContact O-C 3.44Å; I118-C121 WeakPolarHBondContact O-CA 3.23Å; I118-C121 WeakPolarHBondContact O-CB 3.37Å; I118-C121 PolarHBondContact O-N 3.4Å; C121-K123 VanDerWaalsContact C-N 3.35Å; C121-K123 PolarHBondContact O-N 3.37Å; C121-A124 PolarHBondContact O-N 3.29Å; C121-F125 WeakPolarHBondContact O-CB 3.35Å; C121-F125 PolarHBondContact O-N 3.16Å |
| 122 | L | 92.1 | Very high | 89.3 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.016 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | 177 | -65.2 | 173.5 | 0 | 0 | 0 | 110.9 | L91 L94 L95 L98 I118 V119 A124 F125 M126 I135 L145 | L91-L122 HydrophobicContact CD1-CD2 3.56Å; L94-L122 HydrophobicContact CB-CD2 4.5Å; L95-L122 HydrophobicContact CD2-CD1 4.25Å; L95-L122 HydrophobicContact CD2-CD2 4.28Å; L98-L122 HydrophobicContact CD2-CD1 4.2Å; I118-L122 HydrophobicContact CG2-CD1 4.31Å; I118-L122 HydrophobicContact CG2-CG 4.34Å; I118-L122 WeakPolarHBondContact O-CG 3.49Å; I118-L122 PolarHBondContact O-N 3.11Å; V119-L122 PolarHBondContact O-N 3.36Å; L122-A124 VanDerWaalsContact C-N 3.34Å; L122-A124 PolarHBondContact O-N 2.85Å; L122-F125 PolarHBondContact O-N 3.27Å; L122-M126 VanDerWaalsContact O-CG 3.31Å; L122-M126 WeakPolarHBondContact O-CG 3.45Å; L122-M126 PolarHBondContact O-N 2.95Å; L122-I135 HydrophobicContact CB-CD1 4.46Å; L122-I135 HydrophobicContact CD2-CD1 4.04Å; L122-L145 HydrophobicContact CD1-CD2 4.28Å |
| 123 | K | 90.4 | Very high | 89.2 | Confident | 56 Ų | 56 | 25.4 Ų | 25.4 | 24% | 0.243 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58 | -41.4 | 174 | -175.5 | 176.3 | -173.6 | -176.7 | 0 | 113.3 | V119 C121 D159 L163 | V119-K123 WeakPolarHBondContact O-CB 3.34Å; V119-K123 PolarHBondContact O-N 3.23Å; C121-K123 VanDerWaalsContact C-N 3.35Å; C121-K123 PolarHBondContact O-N 3.37Å; K123-D159 IonicContact NZ-OD1 3.3Å; K123-D159 PolarHBondContact NZ-OD1 3.13Å; K123-L163 HydrophobicContact CB-CD1 4.33Å; K123-L163 HydrophobicContact CB-CD2 3.92Å; K123-L163 HydrophobicContact CG-CD2 4.08Å |
| 124 | A | 89.1 | Confident | 89.2 | Confident | 6 Ų | 6 | 25.7 Ų | 25.7 | 5% | 0.05 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.1 | -40.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N6 L75 T76 Q120 C121 L122 N127 | N6-A124 PolarHBondContact ND2-O 3.04Å; L75-A124 HydrophobicContact CB-CB 3.67Å; T76-A124 HydrophobicContact CG2-CB 3.54Å; Q120-A124 PolarHBondContact O-N 3.33Å; Q120-A124 VanDerWaalsContact O-N 3.11Å; C121-A124 PolarHBondContact O-N 3.29Å; L122-A124 VanDerWaalsContact C-N 3.34Å; L122-A124 PolarHBondContact O-N 2.85Å; A124-N127 WeakPolarHBondContact O-CB 3.28Å; A124-N127 PolarHBondContact O-N 3.33Å |
| 125 | F | 89.4 | Confident | 89 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 175.9 | -175.9 | -95.2 | 0 | 0 | 0 | 111.4 | L75 V83 F86 L91 C121 L122 N127 N128 Y130 G131 R134 I135 | L75-F125 HydrophobicContact CD2-CB 4.37Å; L75-F125 HydrophobicContact CD2-CD2 4Å; V83-F125 HydrophobicContact CG1-CD2 3.52Å; V83-F125 HydrophobicContact CG1-CE2 3.8Å; V83-F125 HydrophobicContact CG1-CG 4.29Å; F86-F125 HydrophobicContact CD1-CD2 4.13Å; F86-F125 HydrophobicContact CD1-CE2 4.1Å; L91-F125 HydrophobicContact CB-CE1 4.34Å; L91-F125 HydrophobicContact CB-CZ 4.16Å; L91-F125 HydrophobicContact CD1-CE1 4.31Å; L91-F125 HydrophobicContact CD2-CE1 4.07Å; L91-F125 HydrophobicContact CD2-CZ 4.49Å; L91-F125 HydrophobicContact CG-CE1 4.47Å; C121-F125 WeakPolarHBondContact O-CB 3.35Å; C121-F125 PolarHBondContact O-N 3.16Å; L122-F125 PolarHBondContact O-N 3.27Å; F125-N127 PolarHBondContact O-N 3.37Å; F125-N128 PolarHBondContact O-ND2 2.74Å; F125-Y130 HydrophobicContact CZ-CE1 4.18Å; F125-G131 VanDerWaalsContact CE1-CA 3.4Å; F125-G131 WeakPolarHBondContact CE1-O 3.41Å; F125-G131 WeakPolarHBondContact O-CA 3.26Å; F125-R134 HydrophobicContact CE1-CB 4.03Å; F125-R134 HydrophobicContact CZ-CB 4.34Å; F125-I135 HydrophobicContact CD1-CD1 3.8Å; F125-I135 HydrophobicContact CD1-CG1 4.45Å; F125-I135 HydrophobicContact CE1-CD1 4.32Å; F125-I135 HydrophobicContact CE1-CG1 4.5Å |
| 126 | M | 88.2 | Confident | 88.7 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -10.7 | 176.3 | -69.7 | 173.7 | 70.2 | 0 | 0 | 114.9 | L122 N128 L132 I135 L163 I167 M946 | L122-M126 VanDerWaalsContact O-CG 3.31Å; L122-M126 WeakPolarHBondContact O-CG 3.45Å; L122-M126 PolarHBondContact O-N 2.95Å; M126-N128 PolarHBondContact O-N 2.92Å; M126-L132 HydrophobicContact CE-CD1 3.53Å; M126-I135 HydrophobicContact CE-CG2 4.28Å; M126-I135 HydrophobicContact CG-CB 4.41Å; M126-I135 HydrophobicContact CG-CD1 3.43Å; M126-I135 VanDerWaalsContact CG-CD1 3.43Å; M126-I135 HydrophobicContact CG-CG1 4.48Å; M126-I135 HydrophobicContact SD-CD1 3.82Å; M126-I135 HydrophobicContact SD-CG2 4.01Å; M126-L163 HydrophobicContact CE-CD2 4.12Å; M126-L163 HydrophobicContact SD-CD2 3.57Å; M126-L163 VanDerWaalsContact SD-CD2 3.57Å; M126-I167 HydrophobicContact CE-CD1 3.81Å; M126-I167 HydrophobicContact CE-CG1 3.83Å; M126-M946 HydrophobicContact CB-CB 4.39Å; M126-M946 HydrophobicContact CB-CG 4.34Å; M126-M946 HydrophobicContact CB-SD 4.12Å; M126-M946 HydrophobicContact CE-SD 3.81Å |
| 127 | N | 88 | Confident | 88.2 | Confident | 9 Ų | 9 | 28.7 Ų | 28.7 | 5% | 0.048 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 5.2 | -173.9 | -155.5 | 31.9 | 0 | 0 | 0 | 114.8 | N6 A124 F125 G944 V945 M946 D947 | N6-N127 PolarHBondContact O-ND2 3.25Å; N6-N127 VanDerWaalsContact OD1-C 3.26Å; N6-N127 WeakPolarHBondContact OD1-CB 3.21Å; N6-N127 PolarHBondContact OD1-O 2.74Å; A124-N127 WeakPolarHBondContact O-CB 3.28Å; A124-N127 PolarHBondContact O-N 3.33Å; F125-N127 PolarHBondContact O-N 3.37Å; N127-G944 CarbonylContact O-C 3.6Å; N127-G944 WeakPolarHBondContact O-CA 3.28Å; N127-G944 PolarHBondContact O-N 3.12Å; N127-G944 VanDerWaalsContact OD1-C 3.25Å; N127-G944 WeakPolarHBondContact OD1-CA 2.99Å; N127-G944 PolarHBondContact OD1-O 3.49Å; N127-V945 PolarHBondContact O-N 2.83Å; N127-M946 HydrophobicContact CB-CB 4.12Å; N127-M946 WeakPolarHBondContact OD1-CB 3.21Å; N127-M946 PolarHBondContact OD1-N 3Å; N127-M946 VanDerWaalsContact OD1-N 3.11Å; N127-D947 PolarHBondContact ND2-OD2 3.19Å; N127-D947 PolarHBondContact OD1-N 3.02Å |
| 128 | N | 84.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -133.8 | 156.6 | 173.6 | 60.2 | 87.5 | 0 | 0 | 0 | 109 | V80 F125 M126 Y130 G131 L132 E942 | V80-N128 HydrophobicContact CG1-CB 4.24Å; V80-N128 HydrophobicContact CG2-CB 4.22Å; F125-N128 PolarHBondContact O-ND2 2.74Å; M126-N128 PolarHBondContact O-N 2.92Å; N128-Y130 PolarHBondContact O-N 2.93Å; N128-Y130 PolarHBondContact OD1-N 2.94Å; N128-G131 PolarHBondContact O-N 3.47Å; N128-G131 PolarHBondContact OD1-N 3.48Å; N128-L132 PolarHBondContact O-N 2.65Å; N128-E942 VanDerWaalsContact CA-O 3.22Å; N128-E942 WeakPolarHBondContact CA-O 3.46Å; N128-E942 VanDerWaalsContact CB-O 3.26Å; N128-E942 WeakPolarHBondContact CB-O 3.35Å |
| 129 | K | 82.6 | Confident | 87.1 | Confident | 98 Ų | 98 | 38.2 Ų | 38.2 | 43% | 0.426 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -53.6 | -49.6 | -175.3 | -177.3 | 174.5 | 179.2 | 178.4 | 0 | 112.9 | G131 L132 D133 E942 | K129-G131 VanDerWaalsContact C-N 3.35Å; K129-G131 PolarHBondContact O-N 3.23Å; K129-L132 PolarHBondContact O-N 3.25Å; K129-D133 PolarHBondContact O-N 3.29Å; K129-E942 PolarHBondContact N-O 2.83Å |
| 130 | Y | 85.3 | Confident | 86.7 | Confident | 53 Ų | 53 | 42 Ų | 42 | 21% | 0.208 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.3 | -46 | -179.8 | 171 | -84.9 | 0 | 0 | 0 | 112.9 | Q84 G87 F125 N128 R134 | Q84-Y130 HydrophobicContact CB-CE1 4.41Å; Q84-Y130 HydrophobicContact CB-CE2 4.46Å; Q84-Y130 HydrophobicContact CG-CD1 3.9Å; Q84-Y130 HydrophobicContact CG-CD2 3.79Å; Q84-Y130 HydrophobicContact CG-CE1 4.2Å; Q84-Y130 HydrophobicContact CG-CE2 4.04Å; Q84-Y130 HydrophobicContact CG-CG 3.71Å; G87-Y130 WeakPolarHBondContact CA-OH 3.29Å; F125-Y130 HydrophobicContact CZ-CE1 4.18Å; N128-Y130 PolarHBondContact O-N 2.93Å; N128-Y130 PolarHBondContact OD1-N 2.94Å; Y130-R134 HydrophobicContact CD1-CG 4.21Å; Y130-R134 HydrophobicContact CE1-CG 3.86Å; Y130-R134 HydrophobicContact CE2-CG 4.33Å; Y130-R134 WeakPolarHBondContact O-CB 3.34Å; Y130-R134 WeakPolarHBondContact O-CG 3.34Å; Y130-R134 PolarHBondContact O-N 2.87Å |
| 131 | G | 86.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.9 | -28.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F125 N128 K129 I135 | F125-G131 VanDerWaalsContact CE1-CA 3.4Å; F125-G131 WeakPolarHBondContact CE1-O 3.41Å; F125-G131 WeakPolarHBondContact O-CA 3.26Å; N128-G131 PolarHBondContact O-N 3.47Å; N128-G131 PolarHBondContact OD1-N 3.48Å; K129-G131 VanDerWaalsContact C-N 3.35Å; K129-G131 PolarHBondContact O-N 3.23Å; G131-I135 PolarHBondContact O-N 3.35Å |
| 132 | L | 85.7 | Confident | 86.5 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.2 | -53.2 | 170.6 | -179.9 | 58.2 | 0 | 0 | 0 | 110.8 | M126 N128 K129 R134 I135 L136 V170 V945 L949 | M126-L132 HydrophobicContact CE-CD1 3.53Å; N128-L132 PolarHBondContact O-N 2.65Å; K129-L132 PolarHBondContact O-N 3.25Å; L132-R134 PolarHBondContact O-N 3.06Å; L132-I135 PolarHBondContact O-N 3.41Å; L132-L136 HydrophobicContact CD1-CD1 4.24Å; L132-L136 HydrophobicContact CD1-CG 4.32Å; L132-L136 HydrophobicContact CG-CD1 4.12Å; L132-L136 WeakPolarHBondContact O-CG 3.37Å; L132-L136 PolarHBondContact O-N 3.06Å; L132-V170 HydrophobicContact CD2-CG1 4.04Å; L132-V945 HydrophobicContact CD2-CG1 3.96Å; L132-L949 HydrophobicContact CD2-CD1 4.29Å |
| 133 | D | 83.8 | Confident | 86.5 | Confident | 85 Ų | 85 | 41.7 Ų | 41.7 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -54.4 | -39.2 | 178.3 | -62.9 | -15 | 0 | 0 | 0 | 111.5 | K129 L136 G137 | K129-D133 PolarHBondContact O-N 3.29Å; D133-L136 PolarHBondContact O-N 3.13Å; D133-G137 PolarHBondContact O-N 3.44Å |
| 134 | R | 87.5 | Confident | 86.6 | Confident | 111 Ų | 111 | 39.3 Ų | 39.3 | 42% | 0.419 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.4 | -37.1 | 177.8 | -72.3 | -73.2 | 168.2 | -158.9 | -6.3 | 113.9 | L91 F125 Y130 L132 E138 | L91-R134 HydrophobicContact CD2-CB 4.06Å; F125-R134 HydrophobicContact CE1-CB 4.03Å; F125-R134 HydrophobicContact CZ-CB 4.34Å; Y130-R134 HydrophobicContact CD1-CG 4.21Å; Y130-R134 HydrophobicContact CE1-CG 3.86Å; Y130-R134 HydrophobicContact CE2-CG 4.33Å; Y130-R134 WeakPolarHBondContact O-CB 3.34Å; Y130-R134 WeakPolarHBondContact O-CG 3.34Å; Y130-R134 PolarHBondContact O-N 2.87Å; L132-R134 PolarHBondContact O-N 3.06Å; R134-E138 WeakPolarHBondContact O-CB 3.49Å; R134-E138 PolarHBondContact O-N 2.89Å |
| 135 | I | 87.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -77.7 | -28.1 | 177.5 | -84.3 | 165.4 | 0 | 0 | 0 | 112 | L91 L122 F125 M126 G131 L132 I167 | L91-I135 HydrophobicContact CD1-CD1 3.88Å; L91-I135 HydrophobicContact CD1-CG1 3.67Å; L91-I135 HydrophobicContact CD2-CG1 3.84Å; L91-I135 HydrophobicContact CG-CG1 4.43Å; L122-I135 HydrophobicContact CB-CD1 4.46Å; L122-I135 HydrophobicContact CD2-CD1 4.04Å; F125-I135 HydrophobicContact CD1-CD1 3.8Å; F125-I135 HydrophobicContact CD1-CG1 4.45Å; F125-I135 HydrophobicContact CE1-CD1 4.32Å; F125-I135 HydrophobicContact CE1-CG1 4.5Å; M126-I135 HydrophobicContact CE-CG2 4.28Å; M126-I135 HydrophobicContact CG-CB 4.41Å; M126-I135 HydrophobicContact CG-CD1 3.43Å; M126-I135 VanDerWaalsContact CG-CD1 3.43Å; M126-I135 HydrophobicContact CG-CG1 4.48Å; M126-I135 HydrophobicContact SD-CD1 3.82Å; M126-I135 HydrophobicContact SD-CG2 4.01Å; G131-I135 PolarHBondContact O-N 3.35Å; L132-I135 PolarHBondContact O-N 3.41Å; I135-I167 HydrophobicContact CG2-CD1 4.43Å |
| 136 | L | 84.3 | Confident | 87 | Confident | 41 Ų | 41 | 39.3 Ų | 39.3 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.4 | -31.5 | 171 | -65.9 | 174.6 | 0 | 0 | 0 | 112.6 | L132 D133 I167 T175 | L132-L136 HydrophobicContact CD1-CD1 4.24Å; L132-L136 HydrophobicContact CD1-CG 4.32Å; L132-L136 HydrophobicContact CG-CD1 4.12Å; L132-L136 WeakPolarHBondContact O-CG 3.37Å; L132-L136 PolarHBondContact O-N 3.06Å; D133-L136 PolarHBondContact O-N 3.13Å; L136-I167 HydrophobicContact CD2-CB 4.46Å; L136-I167 HydrophobicContact CD2-CG1 4.24Å; L136-I167 HydrophobicContact CD2-CG2 3.78Å; L136-T175 HydrophobicContact CD2-CG2 4.04Å |
| 137 | G | 82.6 | Confident | 87.2 | Confident | 68 Ų | 68 | 41.3 Ų | 41.3 | 70% | 0.701 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -82.4 | -20.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | D133 | D133-G137 PolarHBondContact O-N 3.44Å |
| 138 | E | 85.3 | Confident | 87.4 | Confident | 50 Ų | 50 | 40.9 Ų | 40.9 | 23% | 0.234 | 21% | 0.208 | C | C | . | . | trans | -98 | 100.6 | -177 | 175.3 | 55.9 | -119.8 | 0 | 0 | 110.9 | L91 L95 R134 K140 S141 | L91-E138 HydrophobicContact CD2-CB 4.39Å; L95-E138 HydrophobicContact CD1-CG 3.58Å; R134-E138 WeakPolarHBondContact O-CB 3.49Å; R134-E138 PolarHBondContact O-N 2.89Å; E138-K140 VanDerWaalsContact C-N 3.29Å; E138-K140 HydrophobicContact CG-CB 4.5Å; E138-K140 PolarHBondContact O-N 3.34Å; E138-K140 WeakPolarHBondContact OE1-CB 3.33Å; E138-K140 PolarHBondContact OE1-N 3.48Å; E138-S141 WeakPolarHBondContact CB-OG 3.31Å; E138-S141 WeakPolarHBondContact CG-OG 3.33Å; E138-S141 WeakPolarHBondContact O-CB 3.17Å; E138-S141 PolarHBondContact O-N 2.95Å; E138-S141 PolarHBondContact O-OG 2.83Å | ||
| 139 | E | 76.3 | Confident | 87.8 | Confident | 170 Ų | 170 | 41.2 Ų | 41.2 | 79% | 0.794 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -53.5 | -39 | -172.6 | -170.8 | -179.8 | 170.8 | 0 | 0 | 113.7 | S141 | E139-S141 PolarHBondContact O-N 3.49Å; E139-S141 VanDerWaalsContact O-N 3.14Å |
| 140 | K | 85.9 | Confident | 88.1 | Confident | 79 Ų | 79 | 38.1 Ų | 38.1 | 34% | 0.343 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -54.9 | -32.9 | 175.2 | -77.7 | -165.9 | 173.5 | -157.1 | 0 | 112.8 | L95 D96 E99 E138 L142 A143 L144 | L95-K140 HydrophobicContact CD1-CB 4.45Å; D96-K140 IonicContact OD1-NZ 3.83Å; D96-K140 PolarHBondContact OD1-NZ 2.81Å; E99-K140 IonicContact OE2-NZ 2.82Å; E99-K140 PolarHBondContact OE2-NZ 3.11Å; E138-K140 VanDerWaalsContact C-N 3.29Å; E138-K140 HydrophobicContact CG-CB 4.5Å; E138-K140 PolarHBondContact O-N 3.34Å; E138-K140 WeakPolarHBondContact OE1-CB 3.33Å; E138-K140 PolarHBondContact OE1-N 3.48Å; K140-L142 PolarHBondContact O-N 2.79Å; K140-A143 PolarHBondContact O-N 3.49Å; K140-L144 HydrophobicContact CB-CD1 4.21Å; K140-L144 WeakPolarHBondContact O-CB 3.5Å; K140-L144 VanDerWaalsContact O-CG 3.3Å; K140-L144 WeakPolarHBondContact O-CG 3.09Å; K140-L144 PolarHBondContact O-N 3.09Å |
| 141 | S | 90 | Very high | 88.3 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.2 | -47 | -171.7 | -51.4 | 0 | 0 | 0 | 0 | 112.1 | L95 E138 E139 L144 L145 | L95-S141 WeakPolarHBondContact CD1-OG 3.38Å; E138-S141 WeakPolarHBondContact CB-OG 3.31Å; E138-S141 WeakPolarHBondContact CG-OG 3.33Å; E138-S141 WeakPolarHBondContact O-CB 3.17Å; E138-S141 PolarHBondContact O-N 2.95Å; E138-S141 PolarHBondContact O-OG 2.83Å; E139-S141 PolarHBondContact O-N 3.49Å; E139-S141 VanDerWaalsContact O-N 3.14Å; S141-L144 PolarHBondContact O-N 2.95Å; S141-L145 WeakPolarHBondContact O-CB 3.46Å; S141-L145 VanDerWaalsContact O-CG 3.28Å; S141-L145 WeakPolarHBondContact O-CG 3.38Å; S141-L145 PolarHBondContact O-N 3.39Å |
| 142 | L | 91 | Very high | 88.3 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.9 | -43.2 | -177 | -54.8 | -176.1 | 0 | 0 | 0 | 110.8 | K140 L144 L145 A146 I167 K178 V179 A182 | K140-L142 PolarHBondContact O-N 2.79Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L144 PolarHBondContact O-N 2.91Å; L142-L145 PolarHBondContact O-N 2.9Å; L142-A146 WeakPolarHBondContact O-CB 3.38Å; L142-A146 PolarHBondContact O-N 3.41Å; L142-I167 HydrophobicContact CD2-CD1 3.95Å; L142-I167 HydrophobicContact CD2-CG2 4.02Å; L142-K178 HydrophobicContact CD1-CB 3.82Å; L142-V179 HydrophobicContact CD1-CG2 4.17Å; L142-V179 HydrophobicContact CD2-CG2 4.39Å; L142-A182 HydrophobicContact CB-CB 4.12Å |
| 143 | A | 91.4 | Very high | 88.5 | Confident | 29 Ų | 29 | 43 Ų | 43 | 24% | 0.24 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -37.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | K140 R147 | K140-A143 PolarHBondContact O-N 3.49Å; A143-R147 WeakPolarHBondContact O-CB 3.5Å; A143-R147 WeakPolarHBondContact O-CG 3.3Å; A143-R147 PolarHBondContact O-N 3.42Å |
| 144 | L | 93.2 | Very high | 88.9 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -76.7 | -38.4 | 177.6 | -69.3 | 171.5 | 0 | 0 | 0 | 112.5 | L95 L98 E99 L102 K140 S141 L142 R147 A148 | L95-L144 HydrophobicContact CB-CD1 3.9Å; L95-L144 HydrophobicContact CD2-CD1 4.06Å; L95-L144 WeakPolarHBondContact O-CD1 3.37Å; L98-L144 HydrophobicContact CD2-CB 4.22Å; E99-L144 HydrophobicContact CB-CD1 4.13Å; E99-L144 HydrophobicContact CB-CD2 3.72Å; E99-L144 HydrophobicContact CG-CD2 4.02Å; L102-L144 HydrophobicContact CD1-CD2 4.22Å; K140-L144 HydrophobicContact CB-CD1 4.21Å; K140-L144 WeakPolarHBondContact O-CB 3.5Å; K140-L144 VanDerWaalsContact O-CG 3.3Å; K140-L144 WeakPolarHBondContact O-CG 3.09Å; K140-L144 PolarHBondContact O-N 3.09Å; S141-L144 PolarHBondContact O-N 2.95Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L144 PolarHBondContact O-N 2.91Å; L144-R147 PolarHBondContact O-N 3.39Å; L144-A148 WeakPolarHBondContact O-CB 3.5Å; L144-A148 PolarHBondContact O-N 3.47Å |
| 145 | L | 93.5 | Very high | 89 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 171.8 | -74.7 | 170.9 | 0 | 0 | 0 | 111.2 | L122 S141 L142 R147 A148 V160 L163 L164 I167 | L122-L145 HydrophobicContact CD1-CD2 4.28Å; S141-L145 WeakPolarHBondContact O-CB 3.46Å; S141-L145 VanDerWaalsContact O-CG 3.28Å; S141-L145 WeakPolarHBondContact O-CG 3.38Å; S141-L145 PolarHBondContact O-N 3.39Å; L142-L145 PolarHBondContact O-N 2.9Å; L145-R147 VanDerWaalsContact C-N 3.35Å; L145-R147 PolarHBondContact O-N 2.87Å; L145-A148 WeakPolarHBondContact O-CA 3.39Å; L145-A148 WeakPolarHBondContact O-CB 3.34Å; L145-A148 PolarHBondContact O-N 3.39Å; L145-V160 WeakPolarHBondContact O-CG1 3.3Å; L145-L163 HydrophobicContact CD2-CD1 4.13Å; L145-L164 HydrophobicContact CB-CD2 4.01Å; L145-L164 HydrophobicContact CB-CG 4.42Å; L145-L164 HydrophobicContact CD1-CD2 4.41Å; L145-I167 HydrophobicContact CD1-CD1 4.21Å |
| 146 | A | 93 | Very high | 89.3 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L142 A148 I149 A182 I183 A186 | L142-A146 WeakPolarHBondContact O-CB 3.38Å; L142-A146 PolarHBondContact O-N 3.41Å; A146-A148 PolarHBondContact O-N 3.24Å; A146-I149 WeakPolarHBondContact O-CB 3.48Å; A146-I149 WeakPolarHBondContact O-CG1 3.29Å; A146-I149 PolarHBondContact O-N 2.81Å; A146-A182 VanDerWaalsContact CB-C 3.48Å; A146-A182 HydrophobicContact CB-CB 3.88Å; A146-A182 VanDerWaalsContact CB-O 3.32Å; A146-A182 WeakPolarHBondContact CB-O 3.38Å; A146-I183 HydrophobicContact CB-CG1 4Å; A146-A186 HydrophobicContact CB-CB 4.06Å |
| 147 | R | 92.1 | Very high | 89.8 | Confident | 43 Ų | 43 | 35 Ų | 35 | 16% | 0.162 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.2 | -22.7 | 172.8 | -82.3 | -176 | 161.5 | 86.5 | 3.1 | 114.1 | L102 A143 L144 L145 I149 A186 R190 | L102-R147 HydrophobicContact CD1-CB 4.11Å; A143-R147 WeakPolarHBondContact O-CB 3.5Å; A143-R147 WeakPolarHBondContact O-CG 3.3Å; A143-R147 PolarHBondContact O-N 3.42Å; L144-R147 PolarHBondContact O-N 3.39Å; L145-R147 VanDerWaalsContact C-N 3.35Å; L145-R147 PolarHBondContact O-N 2.87Å; R147-I149 VanDerWaalsContact C-N 3.34Å; R147-A186 HydrophobicContact CG-CB 4.01Å; R147-R190 PolarHBondContact O-NH2 3.23Å |
| 148 | A | 92.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -0.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L102 L144 L145 A146 D150 V160 | L102-A148 HydrophobicContact CD1-CB 4.38Å; L102-A148 HydrophobicContact CD2-CB 4.39Å; L144-A148 WeakPolarHBondContact O-CB 3.5Å; L144-A148 PolarHBondContact O-N 3.47Å; L145-A148 WeakPolarHBondContact O-CA 3.39Å; L145-A148 WeakPolarHBondContact O-CB 3.34Å; L145-A148 PolarHBondContact O-N 3.39Å; A146-A148 PolarHBondContact O-N 3.24Å; A148-D150 PolarHBondContact O-N 2.81Å; A148-V160 HydrophobicContact CB-CG1 4.49Å; A148-V160 HydrophobicContact CB-CG2 3.81Å |
| 149 | I | 93.4 | Very high | 90.7 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.036 | 18% | 0.175 | C | C | . | . | trans | -70.4 | 95.8 | 172 | -56.9 | 174.1 | 0 | 0 | 0 | 109.1 | A146 R147 M157 V160 V161 L164 I183 R190 P197 I198 | A146-I149 WeakPolarHBondContact O-CB 3.48Å; A146-I149 WeakPolarHBondContact O-CG1 3.29Å; A146-I149 PolarHBondContact O-N 2.81Å; R147-I149 VanDerWaalsContact C-N 3.34Å; I149-M157 HydrophobicContact CG2-CE 3.69Å; I149-M157 HydrophobicContact CG2-CG 4.07Å; I149-M157 HydrophobicContact CG2-SD 4.23Å; I149-V160 HydrophobicContact CG1-CG1 3.66Å; I149-V161 HydrophobicContact CG1-CG1 4.43Å; I149-V161 HydrophobicContact CG2-CG1 4.42Å; I149-L164 HydrophobicContact CD1-CD1 3.86Å; I149-L164 HydrophobicContact CG1-CD1 4.33Å; I149-I183 HydrophobicContact CD1-CG1 4.39Å; I149-R190 VanDerWaalsContact O-CZ 3.26Å; I149-R190 PolarHBondContact O-NH1 3.23Å; I149-R190 PolarHBondContact O-NH2 3.26Å; I149-P197 HydrophobicContact CG2-CB 3.88Å; I149-I198 HydrophobicContact CD1-CG1 4.49Å; I149-I198 HydrophobicContact CG2-CG1 4.42Å | ||
| 150 | D | 89.9 | Confident | 91.6 | Very high | 32 Ų | 32 | 22.8 Ų | 22.8 | 17% | 0.171 | 14% | 0.137 | C | C | . | . | trans | -125.4 | 105.6 | -177.9 | 176.3 | 7.1 | 0 | 0 | 0 | 111.1 | K112 A148 S152 Q153 M156 | K112-D150 IonicContact NZ-OD2 2.7Å; K112-D150 PolarHBondContact NZ-OD2 2.94Å; A148-D150 PolarHBondContact O-N 2.81Å; D150-S152 PolarHBondContact O-N 3.37Å; D150-S152 VanDerWaalsContact O-N 3.1Å; D150-S152 WeakPolarHBondContact OD1-CA 3.39Å; D150-S152 VanDerWaalsContact OD1-CB 3.26Å; D150-S152 WeakPolarHBondContact OD1-CB 3.22Å; D150-S152 PolarHBondContact OD1-N 3.11Å; D150-S152 PolarHBondContact OD1-OG 3.33Å; D150-S152 PolarHBondContact OD2-OG 3.06Å; D150-Q153 HydrophobicContact CB-CB 4.4Å; D150-Q153 CarbonylContact O-C 3.55Å; D150-Q153 PolarHBondContact O-N 2.69Å; D150-M156 HydrophobicContact CB-CE 4.26Å | ||
| 151 | P | 88.6 | Confident | 92 | Very high | 27 Ų | 27 | 19 Ų | 19 | 18% | 0.175 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -14.8 | 175.8 | -26.6 | 36.6 | 0 | 0 | 0 | 115.1 | Q153 M157 P197 Q200 | P151-Q153 PolarHBondContact O-N 3.12Å; P151-M157 HydrophobicContact CB-SD 4.22Å; P151-M157 HydrophobicContact CG-CE 4.35Å; P151-M157 HydrophobicContact CG-SD 3.92Å; P151-P197 HydrophobicContact CG-CB 4.1Å; P151-P197 WeakPolarHBondContact CG-O 3.15Å; P151-Q200 HydrophobicContact CB-CB 4.47Å; P151-Q200 HydrophobicContact CB-CG 4.05Å; P151-Q200 HydrophobicContact CG-CB 4.2Å; P151-Q200 HydrophobicContact CG-CG 4.26Å |
| 152 | S | 87.1 | Confident | 92.2 | Very high | 78 Ų | 78 | 20.4 Ų | 20.4 | 55% | 0.545 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -1.5 | 170.4 | 79.5 | 0 | 0 | 0 | 0 | 113.6 | K112 D150 | K112-S152 PolarHBondContact NZ-OG 2.95Å; D150-S152 PolarHBondContact O-N 3.37Å; D150-S152 VanDerWaalsContact O-N 3.1Å; D150-S152 WeakPolarHBondContact OD1-CA 3.39Å; D150-S152 VanDerWaalsContact OD1-CB 3.26Å; D150-S152 WeakPolarHBondContact OD1-CB 3.22Å; D150-S152 PolarHBondContact OD1-N 3.11Å; D150-S152 PolarHBondContact OD1-OG 3.33Å; D150-S152 PolarHBondContact OD2-OG 3.06Å |
| 153 | Q | 89.8 | Confident | 92.2 | Very high | 59 Ų | 59 | 20 Ų | 20 | 28% | 0.276 | 12% | 0.124 | S | C | . | . | trans | -134.7 | 63.3 | -178.6 | -71.4 | -63.7 | -19.1 | 0 | 0 | 111.3 | K112 D150 P151 G155 M156 M157 | K112-Q153 HydrophobicContact CD-CG 4.49Å; K112-Q153 HydrophobicContact CG-CG 4.33Å; D150-Q153 HydrophobicContact CB-CB 4.4Å; D150-Q153 CarbonylContact O-C 3.55Å; D150-Q153 PolarHBondContact O-N 2.69Å; P151-Q153 PolarHBondContact O-N 3.12Å; Q153-G155 PolarHBondContact O-N 2.95Å; Q153-M156 HydrophobicContact CB-CB 4.03Å; Q153-M156 HydrophobicContact CB-CE 4.16Å; Q153-M156 HydrophobicContact CG-CE 4.43Å; Q153-M156 PolarHBondContact O-N 3.35Å; Q153-M157 PolarHBondContact O-N 3.43Å | ||
| 154 | S | 91.1 | Very high | 92.3 | Very high | 31 Ų | 31 | 18.7 Ų | 18.7 | 22% | 0.217 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -46.9 | -40 | -174.2 | -46.2 | 0 | 0 | 0 | 0 | 114.5 | T158 D204 | S154-T158 VanDerWaalsContact O-CB 3.28Å; S154-T158 WeakPolarHBondContact O-CB 3.45Å; S154-T158 PolarHBondContact O-N 3.07Å; S154-T158 PolarHBondContact O-OG1 2.98Å; S154-D204 VanDerWaalsContact CB-OD2 3.24Å; S154-D204 WeakPolarHBondContact CB-OD2 3.03Å; S154-D204 PolarHBondContact OG-OD2 3.11Å |
| 155 | G | 90.3 | Very high | 92.2 | Very high | 37 Ų | 37 | 18.4 Ų | 18.4 | 38% | 0.381 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -66.9 | -43 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H116 Q153 D159 | H116-G155 PolarHBondContact NE2-O 2.89Å; Q153-G155 PolarHBondContact O-N 2.95Å; G155-D159 PolarHBondContact O-N 2.99Å |
| 156 | M | 93.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.9 | -46.4 | 175.6 | -174.1 | 171.6 | 73.5 | 0 | 0 | 110.9 | Q115 H116 V119 D150 Q153 T158 D159 V160 | Q115-M156 HydrophobicContact CB-CE 4.41Å; Q115-M156 HydrophobicContact CB-SD 3.61Å; H116-M156 HydrophobicContact CB-CB 3.92Å; H116-M156 HydrophobicContact CB-CG 4.01Å; H116-M156 HydrophobicContact CB-SD 4.06Å; H116-M156 VanDerWaalsContact CD2-CA 3.48Å; H116-M156 WeakPolarHBondContact CD2-CA 3.35Å; H116-M156 PolarHBondContact N-SD 3.16Å; H116-M156 VanDerWaalsContact N-SD 3.44Å; V119-M156 HydrophobicContact CG2-CG 4.19Å; V119-M156 HydrophobicContact CG2-SD 4.5Å; D150-M156 HydrophobicContact CB-CE 4.26Å; Q153-M156 HydrophobicContact CB-CB 4.03Å; Q153-M156 HydrophobicContact CB-CE 4.16Å; Q153-M156 HydrophobicContact CG-CE 4.43Å; Q153-M156 PolarHBondContact O-N 3.35Å; M156-T158 VanDerWaalsContact C-N 3.27Å; M156-T158 PolarHBondContact O-N 2.98Å; M156-D159 PolarHBondContact O-N 3.17Å; M156-V160 HydrophobicContact CG-CG2 4.29Å; M156-V160 WeakPolarHBondContact O-CG2 3.11Å; M156-V160 PolarHBondContact O-N 2.98Å |
| 157 | M | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.7 | -38.8 | 177.9 | -170.5 | -177.3 | 167.2 | 0 | 0 | 111.4 | I149 P151 Q153 D159 V160 V161 P197 L209 | I149-M157 HydrophobicContact CG2-CE 3.69Å; I149-M157 HydrophobicContact CG2-CG 4.07Å; I149-M157 HydrophobicContact CG2-SD 4.23Å; P151-M157 HydrophobicContact CB-SD 4.22Å; P151-M157 HydrophobicContact CG-CE 4.35Å; P151-M157 HydrophobicContact CG-SD 3.92Å; Q153-M157 PolarHBondContact O-N 3.43Å; M157-D159 PolarHBondContact O-N 3.15Å; M157-V160 PolarHBondContact O-N 3.01Å; M157-V161 HydrophobicContact CE-CG1 4.32Å; M157-V161 HydrophobicContact CG-CG1 4.1Å; M157-V161 WeakPolarHBondContact O-CG1 3.28Å; M157-V161 WeakPolarHBondContact O-CG2 3.38Å; M157-V161 PolarHBondContact O-N 3.38Å; M157-P197 WeakPolarHBondContact CE-O 3.18Å; M157-L209 HydrophobicContact CB-CD1 3.94Å; M157-L209 HydrophobicContact CE-CD1 4.33Å; M157-L209 HydrophobicContact CG-CD1 3.77Å; M157-L209 HydrophobicContact SD-CD1 3.94Å; M157-L209 HydrophobicContact SD-CD2 4.05Å |
| 158 | T | 94.4 | Very high | 91.5 | Very high | 15 Ų | 15 | 16.5 Ų | 16.5 | 9% | 0.092 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.6 | -44.4 | 175.6 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | S154 M156 K162 Q208 L209 A212 | S154-T158 VanDerWaalsContact O-CB 3.28Å; S154-T158 WeakPolarHBondContact O-CB 3.45Å; S154-T158 PolarHBondContact O-N 3.07Å; S154-T158 PolarHBondContact O-OG1 2.98Å; M156-T158 VanDerWaalsContact C-N 3.27Å; M156-T158 PolarHBondContact O-N 2.98Å; T158-K162 HydrophobicContact CG2-CD 4.32Å; T158-K162 VanDerWaalsContact O-CB 3.29Å; T158-K162 WeakPolarHBondContact O-CB 3.47Å; T158-K162 WeakPolarHBondContact O-CG 3.35Å; T158-K162 PolarHBondContact O-N 2.64Å; T158-Q208 HydrophobicContact CG2-CB 4.46Å; T158-L209 WeakPolarHBondContact OG1-CA 3.46Å; T158-A212 HydrophobicContact CG2-CB 3.98Å |
| 159 | D | 93.3 | Very high | 90.9 | Very high | 18 Ų | 18 | 18.3 Ų | 18.3 | 10% | 0.096 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.9 | -44.6 | 175.2 | -79.6 | -46 | 0 | 0 | 0 | 111.4 | H116 V119 K123 G155 M156 M157 K162 L163 | H116-D159 IonicContact CD2-OD2 2.68Å; H116-D159 IonicContact CE1-OD2 3.01Å; H116-D159 IonicContact NE2-OD2 2.99Å; H116-D159 PolarHBondContact NE2-OD2 3.48Å; V119-D159 HydrophobicContact CG1-CB 3.75Å; K123-D159 IonicContact NZ-OD1 3.3Å; K123-D159 PolarHBondContact NZ-OD1 3.13Å; G155-D159 PolarHBondContact O-N 2.99Å; M156-D159 PolarHBondContact O-N 3.17Å; M157-D159 PolarHBondContact O-N 3.15Å; D159-K162 PolarHBondContact O-N 3.42Å; D159-L163 WeakPolarHBondContact O-CD1 3.4Å; D159-L163 VanDerWaalsContact O-CG 3.25Å; D159-L163 WeakPolarHBondContact O-CG 3.35Å; D159-L163 PolarHBondContact O-N 2.94Å |
| 160 | V | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.2 | -52.4 | -179.8 | 170.4 | 0 | 0 | 0 | 0 | 112.5 | V119 L145 A148 I149 M156 M157 K162 L163 L164 | V119-V160 HydrophobicContact CG1-CG2 3.82Å; V119-V160 HydrophobicContact CG2-CG2 3.89Å; L145-V160 WeakPolarHBondContact O-CG1 3.3Å; A148-V160 HydrophobicContact CB-CG1 4.49Å; A148-V160 HydrophobicContact CB-CG2 3.81Å; I149-V160 HydrophobicContact CG1-CG1 3.66Å; M156-V160 HydrophobicContact CG-CG2 4.29Å; M156-V160 WeakPolarHBondContact O-CG2 3.11Å; M156-V160 PolarHBondContact O-N 2.98Å; M157-V160 PolarHBondContact O-N 3.01Å; V160-K162 VanDerWaalsContact C-N 3.26Å; V160-K162 PolarHBondContact O-N 3.04Å; V160-L163 WeakPolarHBondContact O-CB 3.32Å; V160-L163 PolarHBondContact O-N 3.43Å; V160-L163 VanDerWaalsContact O-N 3.16Å; V160-L164 HydrophobicContact CG1-CD1 4.12Å; V160-L164 PolarHBondContact O-N 3.42Å |
| 161 | V | 94.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69 | -28.3 | -177 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | I149 M157 S165 A212 L216 | I149-V161 HydrophobicContact CG1-CG1 4.43Å; I149-V161 HydrophobicContact CG2-CG1 4.42Å; M157-V161 HydrophobicContact CE-CG1 4.32Å; M157-V161 HydrophobicContact CG-CG1 4.1Å; M157-V161 WeakPolarHBondContact O-CG1 3.28Å; M157-V161 WeakPolarHBondContact O-CG2 3.38Å; M157-V161 PolarHBondContact O-N 3.38Å; V161-S165 WeakPolarHBondContact O-CB 3.09Å; V161-S165 PolarHBondContact O-N 2.79Å; V161-S165 PolarHBondContact O-OG 3.03Å; V161-A212 VanDerWaalsContact CG2-C 3.48Å; V161-A212 HydrophobicContact CG2-CB 3.51Å; V161-A212 WeakPolarHBondContact CG2-O 3.36Å; V161-L216 HydrophobicContact CB-CB 4.22Å; V161-L216 HydrophobicContact CB-CD2 3.73Å; V161-L216 HydrophobicContact CG1-CD2 3.85Å |
| 162 | K | 92.7 | Very high | 88.2 | Confident | 30 Ų | 30 | 26 Ų | 26 | 13% | 0.13 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.8 | -40 | 170.7 | -85.3 | 179.3 | 177.2 | -109.2 | 0 | 112.8 | T158 D159 V160 S165 A166 A212 Q215 L950 | T158-K162 HydrophobicContact CG2-CD 4.32Å; T158-K162 VanDerWaalsContact O-CB 3.29Å; T158-K162 WeakPolarHBondContact O-CB 3.47Å; T158-K162 WeakPolarHBondContact O-CG 3.35Å; T158-K162 PolarHBondContact O-N 2.64Å; D159-K162 PolarHBondContact O-N 3.42Å; V160-K162 VanDerWaalsContact C-N 3.26Å; V160-K162 PolarHBondContact O-N 3.04Å; K162-S165 PolarHBondContact O-N 3.11Å; K162-A166 PolarHBondContact O-N 2.85Å; K162-A212 HydrophobicContact CD-CB 4.25Å; K162-A212 HydrophobicContact CG-CB 3.94Å; K162-Q215 VanDerWaalsContact CE-OE1 3.24Å; K162-L950 HydrophobicContact CB-CD2 3.68Å; K162-L950 HydrophobicContact CG-CD2 4.17Å; K162-L950 WeakPolarHBondContact O-CD2 3.24Å |
| 163 | L | 92.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.7 | -49.3 | 173.8 | -69.7 | 161.4 | 0 | 0 | 0 | 110.9 | V119 K123 M126 L145 D159 V160 S165 A166 I167 M946 | V119-L163 HydrophobicContact CG1-CD1 3.73Å; K123-L163 HydrophobicContact CB-CD1 4.33Å; K123-L163 HydrophobicContact CB-CD2 3.92Å; K123-L163 HydrophobicContact CG-CD2 4.08Å; M126-L163 HydrophobicContact CE-CD2 4.12Å; M126-L163 HydrophobicContact SD-CD2 3.57Å; M126-L163 VanDerWaalsContact SD-CD2 3.57Å; L145-L163 HydrophobicContact CD2-CD1 4.13Å; D159-L163 WeakPolarHBondContact O-CD1 3.4Å; D159-L163 VanDerWaalsContact O-CG 3.25Å; D159-L163 WeakPolarHBondContact O-CG 3.35Å; D159-L163 PolarHBondContact O-N 2.94Å; V160-L163 WeakPolarHBondContact O-CB 3.32Å; V160-L163 PolarHBondContact O-N 3.43Å; V160-L163 VanDerWaalsContact O-N 3.16Å; L163-S165 VanDerWaalsContact C-N 3.34Å; L163-S165 PolarHBondContact O-N 2.95Å; L163-A166 PolarHBondContact O-N 3.06Å; L163-I167 WeakPolarHBondContact O-CG1 3.34Å; L163-I167 PolarHBondContact O-N 2.95Å; L163-I167 VanDerWaalsContact O-N 3.14Å; L163-M946 HydrophobicContact CD2-CE 3.8Å; L163-M946 HydrophobicContact CD2-SD 4.08Å |
| 164 | L | 92.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.1 | -39.1 | 176.7 | -66 | 173.2 | 0 | 0 | 0 | 112.2 | L145 I149 V160 A166 I167 C168 V179 L216 | L145-L164 HydrophobicContact CB-CD2 4.01Å; L145-L164 HydrophobicContact CB-CG 4.42Å; L145-L164 HydrophobicContact CD1-CD2 4.41Å; I149-L164 HydrophobicContact CD1-CD1 3.86Å; I149-L164 HydrophobicContact CG1-CD1 4.33Å; V160-L164 HydrophobicContact CG1-CD1 4.12Å; V160-L164 PolarHBondContact O-N 3.42Å; L164-A166 VanDerWaalsContact C-N 3.31Å; L164-A166 PolarHBondContact O-N 2.87Å; L164-I167 PolarHBondContact O-N 3.23Å; L164-C168 WeakPolarHBondContact O-CB 3.48Å; L164-C168 PolarHBondContact O-N 3.36Å; L164-C168 PolarHBondContact O-SG 2.88Å; L164-V179 HydrophobicContact CD2-CG1 4.22Å; L164-L216 HydrophobicContact CB-CD1 3.9Å |
| 165 | S | 90.9 | Very high | 86 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58 | -41 | 177.5 | -60.1 | 0 | 0 | 0 | 0 | 112.7 | V161 K162 L163 I169 L216 | V161-S165 WeakPolarHBondContact O-CB 3.09Å; V161-S165 PolarHBondContact O-N 2.79Å; V161-S165 PolarHBondContact O-OG 3.03Å; K162-S165 PolarHBondContact O-N 3.11Å; L163-S165 VanDerWaalsContact C-N 3.34Å; L163-S165 PolarHBondContact O-N 2.95Å; S165-I169 WeakPolarHBondContact O-CG1 3.25Å; S165-L216 VanDerWaalsContact OG-CA 3.24Å; S165-L216 WeakPolarHBondContact OG-CA 3.41Å; S165-L216 WeakPolarHBondContact OG-CB 3.43Å; S165-L216 PolarHBondContact OG-N 3Å |
| 166 | A | 88 | Confident | 85.8 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 2% | 0.017 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -74.9 | -39 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K162 L163 L164 C168 I169 V170 M946 L949 L953 | K162-A166 PolarHBondContact O-N 2.85Å; L163-A166 PolarHBondContact O-N 3.06Å; L164-A166 VanDerWaalsContact C-N 3.31Å; L164-A166 PolarHBondContact O-N 2.87Å; A166-C168 VanDerWaalsContact C-N 3.28Å; A166-C168 PolarHBondContact O-N 3.05Å; A166-I169 PolarHBondContact O-N 3.33Å; A166-V170 PolarHBondContact O-N 3.11Å; A166-M946 HydrophobicContact CB-CE 3.41Å; A166-M946 VanDerWaalsContact CB-CE 3.41Å; A166-M946 HydrophobicContact CB-SD 4.22Å; A166-L949 HydrophobicContact CB-CB 4.1Å; A166-L949 HydrophobicContact CB-CD1 4.45Å; A166-L953 HydrophobicContact CB-CD1 4.03Å |
| 167 | I | 88.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.2 | -43 | 174.4 | -71.3 | 165.8 | 0 | 0 | 0 | 110.7 | M126 I135 L136 L142 L145 L163 L164 I169 G171 T175 V179 | M126-I167 HydrophobicContact CE-CD1 3.81Å; M126-I167 HydrophobicContact CE-CG1 3.83Å; I135-I167 HydrophobicContact CG2-CD1 4.43Å; L136-I167 HydrophobicContact CD2-CB 4.46Å; L136-I167 HydrophobicContact CD2-CG1 4.24Å; L136-I167 HydrophobicContact CD2-CG2 3.78Å; L142-I167 HydrophobicContact CD2-CD1 3.95Å; L142-I167 HydrophobicContact CD2-CG2 4.02Å; L145-I167 HydrophobicContact CD1-CD1 4.21Å; L163-I167 WeakPolarHBondContact O-CG1 3.34Å; L163-I167 PolarHBondContact O-N 2.95Å; L163-I167 VanDerWaalsContact O-N 3.14Å; L164-I167 PolarHBondContact O-N 3.23Å; I167-I169 PolarHBondContact O-N 2.95Å; I167-I169 VanDerWaalsContact O-N 3.15Å; I167-G171 PolarHBondContact O-N 3.41Å; I167-T175 HydrophobicContact CG2-CG2 3.64Å; I167-V179 HydrophobicContact CG2-CG2 3.74Å |
| 168 | C | 87.4 | Confident | 85.1 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 5% | 0.054 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.9 | -8.5 | 176.4 | -70.7 | 0 | 0 | 0 | 0 | 115.3 | L164 A166 L176 A219 S223 | L164-C168 WeakPolarHBondContact O-CB 3.48Å; L164-C168 PolarHBondContact O-N 3.36Å; L164-C168 PolarHBondContact O-SG 2.88Å; A166-C168 VanDerWaalsContact C-N 3.28Å; A166-C168 PolarHBondContact O-N 3.05Å; C168-L176 HydrophobicContact CB-CD1 4.17Å; C168-A219 HydrophobicContact CB-CB 3.92Å; C168-S223 WeakPolarHBondContact O-CB 3.3Å; C168-S223 PolarHBondContact O-OG 3.25Å |
| 169 | I | 81.6 | Confident | 85 | Confident | 38 Ų | 38 | 40.1 Ų | 40.1 | 20% | 0.195 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -111.5 | -33 | 179.8 | -65.5 | -179.7 | 0 | 0 | 0 | 112.1 | S165 A166 I167 A219 L953 A958 F959 | S165-I169 WeakPolarHBondContact O-CG1 3.25Å; A166-I169 PolarHBondContact O-N 3.33Å; I167-I169 PolarHBondContact O-N 2.95Å; I167-I169 VanDerWaalsContact O-N 3.15Å; I169-A219 HydrophobicContact CD1-CB 4.27Å; I169-A219 HydrophobicContact CG1-CB 4.21Å; I169-L953 HydrophobicContact CD1-CD2 3.48Å; I169-L953 VanDerWaalsContact CD1-CD2 3.48Å; I169-L953 HydrophobicContact CD1-CG 4.2Å; I169-A958 HydrophobicContact CD1-CB 3.9Å; I169-F959 HydrophobicContact CD1-CD1 4.28Å; I169-F959 HydrophobicContact CD1-CE1 3.55Å; I169-F959 HydrophobicContact CD1-CZ 3.96Å; I169-F959 HydrophobicContact CG1-CE1 4.48Å |
| 170 | V | 77.3 | Confident | 84.9 | Confident | 35 Ų | 35 | 39.6 Ų | 39.6 | 21% | 0.212 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -94.8 | -23.5 | -176.9 | 179.2 | 0 | 0 | 0 | 0 | 113.7 | L132 A166 L934 L949 | L132-V170 HydrophobicContact CD2-CG1 4.04Å; A166-V170 PolarHBondContact O-N 3.11Å; V170-L934 HydrophobicContact CB-CD2 4.29Å; V170-L934 HydrophobicContact CG1-CD2 4.19Å; V170-L934 HydrophobicContact CG2-CD2 4.05Å; V170-L949 HydrophobicContact CG2-CD1 3.54Å; V170-L949 HydrophobicContact CG2-CD2 3.35Å; V170-L949 HydrophobicContact CG2-CG 4.08Å |
| 171 | G | 67.6 | Low | 84.7 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 23% | 0.227 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -60.4 | 154.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I167 T175 | I167-G171 PolarHBondContact O-N 3.41Å; G171-T175 WeakPolarHBondContact CA-OG1 3.4Å |
| 172 | E | 70.8 | Confident | 84.6 | Confident | 171 Ų | 171 | 45.9 Ų | 45.9 | 80% | 0.799 | 23% | 0.229 | S | C | * | . | trans | -66.6 | 174.9 | 172.8 | -60.2 | -175.3 | 154.1 | 0 | 0 | 111.3 | N174 T175 | E172-N174 PolarHBondContact O-N 2.96Å; E172-T175 PolarHBondContact N-OG1 3.14Å; E172-T175 WeakPolarHBondContact O-CB 3.48Å; E172-T175 PolarHBondContact O-N 3.08Å; E172-T175 PolarHBondContact O-OG1 2.9Å | ||
| 173 | E | 62.4 | Low | 84.6 | Confident | 163 Ų | 163 | 44.6 Ų | 44.6 | 76% | 0.762 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -18 | -160.7 | -66 | 179.8 | 162.5 | 0 | 0 | 115.5 | ||
| 174 | N | 75 | Confident | 84.6 | Confident | 99 Ų | 99 | 46.3 Ų | 46.3 | 53% | 0.529 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -0 | 176.3 | -60.2 | 49.8 | 0 | 0 | 0 | 114.5 | E172 L176 E177 K178 | E172-N174 PolarHBondContact O-N 2.96Å; N174-L176 VanDerWaalsContact C-N 3.34Å; N174-L176 PolarHBondContact O-N 2.91Å; N174-E177 PolarHBondContact O-N 3.23Å; N174-K178 PolarHBondContact O-N 3.09Å |
| 175 | T | 83.4 | Confident | 84.5 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 10% | 0.104 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.2 | -33.6 | -175.4 | -62.2 | 0 | 0 | 0 | 0 | 112.7 | L136 I167 G171 E172 E177 K178 V179 | L136-T175 HydrophobicContact CD2-CG2 4.04Å; I167-T175 HydrophobicContact CG2-CG2 3.64Å; G171-T175 WeakPolarHBondContact CA-OG1 3.4Å; E172-T175 PolarHBondContact N-OG1 3.14Å; E172-T175 WeakPolarHBondContact O-CB 3.48Å; E172-T175 PolarHBondContact O-N 3.08Å; E172-T175 PolarHBondContact O-OG1 2.9Å; T175-E177 VanDerWaalsContact C-N 3.33Å; T175-E177 PolarHBondContact O-N 3.17Å; T175-K178 PolarHBondContact O-N 2.94Å; T175-V179 WeakPolarHBondContact O-CG2 3.11Å; T175-V179 PolarHBondContact O-N 3.08Å |
| 176 | L | 85.3 | Confident | 84.5 | Confident | 21 Ų | 21 | 49 Ų | 49 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 176.7 | -180 | 60 | 0 | 0 | 0 | 111.7 | C168 N174 V179 L180 L220 P224 | C168-L176 HydrophobicContact CB-CD1 4.17Å; N174-L176 VanDerWaalsContact C-N 3.34Å; N174-L176 PolarHBondContact O-N 2.91Å; L176-V179 PolarHBondContact O-N 3.01Å; L176-L180 HydrophobicContact CD1-CD1 4.5Å; L176-L180 HydrophobicContact CG-CD1 4.25Å; L176-L180 WeakPolarHBondContact O-CG 3.47Å; L176-L180 PolarHBondContact O-N 3.36Å; L176-L220 HydrophobicContact CD1-CD2 3.63Å; L176-P224 HydrophobicContact CD2-CB 4.37Å; L176-P224 HydrophobicContact CD2-CG 3.67Å |
| 177 | E | 86.6 | Confident | 84.5 | Confident | 106 Ų | 106 | 49 Ų | 49 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 176 | -55.9 | -176.5 | 136.8 | 0 | 0 | 110.8 | N174 T175 V179 L180 E181 | N174-E177 PolarHBondContact O-N 3.23Å; T175-E177 VanDerWaalsContact C-N 3.33Å; T175-E177 PolarHBondContact O-N 3.17Å; E177-V179 VanDerWaalsContact C-N 3.3Å; E177-V179 PolarHBondContact O-N 3.16Å; E177-L180 CarbonylContact O-C 3.56Å; E177-L180 PolarHBondContact O-N 3.19Å; E177-L180 VanDerWaalsContact O-N 3.11Å; E177-E181 WeakPolarHBondContact O-CB 3.45Å; E177-E181 PolarHBondContact O-N 3.46Å |
| 178 | K | 88.5 | Confident | 84.6 | Confident | 110 Ų | 110 | 55.4 Ų | 55.4 | 48% | 0.478 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.1 | -35.5 | 176.5 | -65.3 | 179.7 | 178.7 | -176.4 | 0 | 113.2 | L142 N174 T175 A182 | L142-K178 HydrophobicContact CD1-CB 3.82Å; N174-K178 PolarHBondContact O-N 3.09Å; T175-K178 PolarHBondContact O-N 2.94Å; K178-A182 VanDerWaalsContact O-CB 3.26Å; K178-A182 WeakPolarHBondContact O-CB 3.24Å; K178-A182 PolarHBondContact O-N 3.22Å |
| 179 | V | 91.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.9 | -41 | 174.4 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | L142 L164 I167 T175 L176 E177 A182 I183 L220 | L142-V179 HydrophobicContact CD1-CG2 4.17Å; L142-V179 HydrophobicContact CD2-CG2 4.39Å; L164-V179 HydrophobicContact CD2-CG1 4.22Å; I167-V179 HydrophobicContact CG2-CG2 3.74Å; T175-V179 WeakPolarHBondContact O-CG2 3.11Å; T175-V179 PolarHBondContact O-N 3.08Å; L176-V179 PolarHBondContact O-N 3.01Å; E177-V179 VanDerWaalsContact C-N 3.3Å; E177-V179 PolarHBondContact O-N 3.16Å; V179-A182 PolarHBondContact O-N 2.6Å; V179-I183 HydrophobicContact CG1-CD1 3.72Å; V179-I183 HydrophobicContact CG1-CG1 4.4Å; V179-I183 WeakPolarHBondContact O-CB 3.37Å; V179-I183 VanDerWaalsContact O-CG1 3.24Å; V179-I183 WeakPolarHBondContact O-CG1 3.42Å; V179-I183 PolarHBondContact O-N 2.93Å; V179-L220 HydrophobicContact CG1-CD2 4.33Å |
| 180 | L | 90.9 | Very high | 84.7 | Confident | 7 Ų | 7 | 63.3 Ų | 63.3 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 175.4 | -73.6 | 169.6 | 0 | 0 | 0 | 111.9 | L176 E177 I183 T184 F195 L220 F229 I233 | L176-L180 HydrophobicContact CD1-CD1 4.5Å; L176-L180 HydrophobicContact CG-CD1 4.25Å; L176-L180 WeakPolarHBondContact O-CG 3.47Å; L176-L180 PolarHBondContact O-N 3.36Å; E177-L180 CarbonylContact O-C 3.56Å; E177-L180 PolarHBondContact O-N 3.19Å; E177-L180 VanDerWaalsContact O-N 3.11Å; L180-I183 PolarHBondContact O-N 3.43Å; L180-T184 WeakPolarHBondContact O-CB 3.47Å; L180-T184 PolarHBondContact O-N 3.42Å; L180-T184 PolarHBondContact O-OG1 3.46Å; L180-F195 HydrophobicContact CD2-CE1 3.92Å; L180-F195 HydrophobicContact CD2-CZ 3.69Å; L180-L220 HydrophobicContact CD2-CD2 3.94Å; L180-L220 HydrophobicContact CG-CD2 4.26Å; L180-F229 HydrophobicContact CD1-CE1 3.79Å; L180-F229 HydrophobicContact CD1-CZ 3.73Å; L180-I233 HydrophobicContact CD1-CD1 4.02Å; L180-I233 HydrophobicContact CD2-CD1 4.1Å |
| 181 | E | 90.9 | Very high | 85.3 | Confident | 125 Ų | 125 | 66.2 Ų | 66.2 | 58% | 0.584 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60 | -52.3 | 172.4 | -177.4 | 174.9 | -155.8 | 0 | 0 | 110.8 | E177 I183 T184 T185 | E177-E181 WeakPolarHBondContact O-CB 3.45Å; E177-E181 PolarHBondContact O-N 3.46Å; E181-I183 VanDerWaalsContact C-N 3.31Å; E181-I183 PolarHBondContact O-N 2.88Å; E181-T184 CarbonylContact O-C 3.58Å; E181-T184 WeakPolarHBondContact O-CA 3.31Å; E181-T184 WeakPolarHBondContact O-CB 3.2Å; E181-T184 PolarHBondContact O-N 2.93Å; E181-T185 PolarHBondContact O-N 2.97Å; E181-T185 PolarHBondContact O-OG1 2.86Å |
| 182 | A | 92.4 | Very high | 86.2 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 7% | 0.066 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.2 | -41.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | L142 A146 K178 V179 A186 | L142-A182 HydrophobicContact CB-CB 4.12Å; A146-A182 VanDerWaalsContact CB-C 3.48Å; A146-A182 HydrophobicContact CB-CB 3.88Å; A146-A182 VanDerWaalsContact CB-O 3.32Å; A146-A182 WeakPolarHBondContact CB-O 3.38Å; K178-A182 VanDerWaalsContact O-CB 3.26Å; K178-A182 WeakPolarHBondContact O-CB 3.24Å; K178-A182 PolarHBondContact O-N 3.22Å; V179-A182 PolarHBondContact O-N 2.6Å; A182-A186 VanDerWaalsContact O-CB 3.3Å; A182-A186 WeakPolarHBondContact O-CB 3.46Å; A182-A186 PolarHBondContact O-N 3.27Å |
| 183 | I | 93.3 | Very high | 87 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.015 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.1 | -36.8 | 175 | -68 | 168 | 0 | 0 | 0 | 110.9 | A146 I149 V179 L180 E181 A186 G187 R194 F195 L220 | A146-I183 HydrophobicContact CB-CG1 4Å; I149-I183 HydrophobicContact CD1-CG1 4.39Å; V179-I183 HydrophobicContact CG1-CD1 3.72Å; V179-I183 HydrophobicContact CG1-CG1 4.4Å; V179-I183 WeakPolarHBondContact O-CB 3.37Å; V179-I183 VanDerWaalsContact O-CG1 3.24Å; V179-I183 WeakPolarHBondContact O-CG1 3.42Å; V179-I183 PolarHBondContact O-N 2.93Å; L180-I183 PolarHBondContact O-N 3.43Å; E181-I183 VanDerWaalsContact C-N 3.31Å; E181-I183 PolarHBondContact O-N 2.88Å; I183-A186 PolarHBondContact O-N 3.19Å; I183-G187 PolarHBondContact O-N 2.65Å; I183-R194 HydrophobicContact CG2-CB 4.13Å; I183-R194 WeakPolarHBondContact CG2-O 3.47Å; I183-F195 HydrophobicContact CG2-CD1 4.16Å; I183-F195 HydrophobicContact CG2-CE1 4.26Å; I183-L220 HydrophobicContact CD1-CD1 4.29Å |
| 184 | T | 92.6 | Very high | 88.5 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 22% | 0.221 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64 | -53.5 | 175.3 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | L180 E181 A186 G187 E188 R194 | L180-T184 WeakPolarHBondContact O-CB 3.47Å; L180-T184 PolarHBondContact O-N 3.42Å; L180-T184 PolarHBondContact O-OG1 3.46Å; E181-T184 CarbonylContact O-C 3.58Å; E181-T184 WeakPolarHBondContact O-CA 3.31Å; E181-T184 WeakPolarHBondContact O-CB 3.2Å; E181-T184 PolarHBondContact O-N 2.93Å; T184-A186 PolarHBondContact O-N 2.9Å; T184-G187 WeakPolarHBondContact O-CA 3.41Å; T184-G187 PolarHBondContact O-N 2.88Å; T184-E188 HydrophobicContact CG2-CG 4.47Å; T184-E188 WeakPolarHBondContact O-CG 3.36Å; T184-E188 PolarHBondContact O-N 3.28Å; T184-R194 WeakPolarHBondContact OG1-CD 3.31Å; T184-R194 PolarHBondContact OG1-NH1 3.39Å |
| 185 | T | 91.3 | Very high | 89.4 | Confident | 52 Ų | 52 | 56.5 Ų | 56.5 | 32% | 0.319 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60 | -31.5 | 176.7 | -51.3 | 0 | 0 | 0 | 0 | 112.9 | E181 W189 | E181-T185 PolarHBondContact O-N 2.97Å; E181-T185 PolarHBondContact O-OG1 2.86Å; T185-W189 VanDerWaalsContact O-CB 3.31Å; T185-W189 WeakPolarHBondContact O-CB 3.39Å; T185-W189 PolarHBondContact O-N 2.89Å; T185-W189 VanDerWaalsContact O-N 3.16Å |
| 186 | A | 89.9 | Confident | 89.8 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.7 | -34.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A146 R147 A182 I183 T184 R190 | A146-A186 HydrophobicContact CB-CB 4.06Å; R147-A186 HydrophobicContact CG-CB 4.01Å; A182-A186 VanDerWaalsContact O-CB 3.3Å; A182-A186 WeakPolarHBondContact O-CB 3.46Å; A182-A186 PolarHBondContact O-N 3.27Å; I183-A186 PolarHBondContact O-N 3.19Å; T184-A186 PolarHBondContact O-N 2.9Å; A186-R190 WeakPolarHBondContact O-CG 3.49Å |
| 187 | G | 88.2 | Confident | 90.2 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.6 | -50.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I183 T184 W189 R190 A191 I192 | I183-G187 PolarHBondContact O-N 2.65Å; T184-G187 WeakPolarHBondContact O-CA 3.41Å; T184-G187 PolarHBondContact O-N 2.88Å; G187-W189 VanDerWaalsContact C-N 3.34Å; G187-W189 PolarHBondContact O-N 3.41Å; G187-R190 CarbonylContact O-C 3.57Å; G187-R190 WeakPolarHBondContact O-CA 3.26Å; G187-R190 PolarHBondContact O-N 3.44Å; G187-A191 PolarHBondContact O-N 3.21Å; G187-I192 CarbonylContact C-O 3.6Å; G187-I192 VanDerWaalsContact C-O 3.3Å; G187-I192 WeakPolarHBondContact CA-O 3.42Å; G187-I192 PolarHBondContact O-N 3.41Å |
| 188 | E | 89.7 | Confident | 90.6 | Very high | 134 Ų | 134 | 52.2 Ų | 52.2 | 63% | 0.626 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -53.6 | -47.4 | 176.3 | -71.1 | 176.2 | 156.7 | 0 | 0 | 112.2 | T184 R190 A191 | T184-E188 HydrophobicContact CG2-CG 4.47Å; T184-E188 WeakPolarHBondContact O-CG 3.36Å; T184-E188 PolarHBondContact O-N 3.28Å; E188-R190 PolarHBondContact O-N 3.4Å; E188-R190 VanDerWaalsContact O-N 3.17Å; E188-A191 PolarHBondContact O-N 3.41Å |
| 189 | W | 86.1 | Confident | 90.8 | Very high | 136 Ų | 136 | 47.2 Ų | 47.2 | 52% | 0.515 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.4 | -23.3 | 179 | -175 | 83.2 | 0 | 0 | 0 | 113.5 | F103 T185 G187 | F103-W189 AromaticContact CD1-CZ2 3.89Å; F103-W189 HydrophobicContact CD1-CZ2 3.89Å; F103-W189 AromaticContact CE1-CE2 3.93Å; F103-W189 AromaticContact CE1-CZ2 3.96Å; F103-W189 HydrophobicContact CE1-CZ2 3.96Å; F103-W189 AromaticContact CE1-NE1 3.7Å; T185-W189 VanDerWaalsContact O-CB 3.31Å; T185-W189 WeakPolarHBondContact O-CB 3.39Å; T185-W189 PolarHBondContact O-N 2.89Å; T185-W189 VanDerWaalsContact O-N 3.16Å; G187-W189 VanDerWaalsContact C-N 3.34Å; G187-W189 PolarHBondContact O-N 3.41Å |
| 190 | R | 85.8 | Confident | 90.9 | Very high | 75 Ų | 75 | 52.5 Ų | 52.5 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -97.7 | -4.1 | 174.7 | -64.9 | 178.7 | -177.7 | -179 | 4.2 | 113.3 | R147 I149 A186 G187 E188 I192 | R147-R190 PolarHBondContact O-NH2 3.23Å; I149-R190 VanDerWaalsContact O-CZ 3.26Å; I149-R190 PolarHBondContact O-NH1 3.23Å; I149-R190 PolarHBondContact O-NH2 3.26Å; A186-R190 WeakPolarHBondContact O-CG 3.49Å; G187-R190 CarbonylContact O-C 3.57Å; G187-R190 WeakPolarHBondContact O-CA 3.26Å; G187-R190 PolarHBondContact O-N 3.44Å; E188-R190 PolarHBondContact O-N 3.4Å; E188-R190 VanDerWaalsContact O-N 3.17Å; R190-I192 HydrophobicContact CB-CD1 3.85Å; R190-I192 HydrophobicContact CB-CG1 3.88Å |
| 191 | A | 88.5 | Confident | 90.9 | Very high | 96 Ų | 96 | 52.2 Ų | 52.2 | 79% | 0.793 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 45.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G187 E188 | G187-A191 PolarHBondContact O-N 3.21Å; E188-A191 PolarHBondContact O-N 3.41Å |
| 192 | I | 88.4 | Confident | 90.9 | Very high | 70 Ų | 70 | 46.3 Ų | 46.3 | 36% | 0.359 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -134.7 | 154.3 | 177.3 | 66.8 | -171.6 | 0 | 0 | 0 | 111.8 | G187 R190 R194 P197 | G187-I192 CarbonylContact C-O 3.6Å; G187-I192 VanDerWaalsContact C-O 3.3Å; G187-I192 WeakPolarHBondContact CA-O 3.42Å; G187-I192 PolarHBondContact O-N 3.41Å; R190-I192 HydrophobicContact CB-CD1 3.85Å; R190-I192 HydrophobicContact CB-CG1 3.88Å; I192-R194 PolarHBondContact O-N 3.47Å; I192-P197 HydrophobicContact CD1-CG 3.62Å |
| 193 | E | 87.4 | Confident | 90.8 | Very high | 132 Ų | 132 | 52.5 Ų | 52.5 | 62% | 0.617 | 26% | 0.261 | S | S | * | . | trans | -53.3 | 131.7 | 171.9 | -61.1 | -55.5 | 145.5 | 0 | 0 | 111.6 | F195 S196 | E193-F195 VanDerWaalsContact C-N 3.28Å; E193-F195 PolarHBondContact O-N 2.64Å; E193-F195 VanDerWaalsContact O-N 3.13Å; E193-S196 VanDerWaalsContact O-CB 3.23Å; E193-S196 WeakPolarHBondContact O-CB 3.44Å; E193-S196 PolarHBondContact O-N 2.71Å | ||
| 194 | R | 92.9 | Very high | 90.6 | Very high | 49 Ų | 49 | 54.5 Ų | 54.5 | 19% | 0.185 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -34.7 | -166.3 | 68.6 | 177.7 | 178.2 | 173.7 | -0.4 | 114.3 | I183 T184 I192 E236 | I183-R194 HydrophobicContact CG2-CB 4.13Å; I183-R194 WeakPolarHBondContact CG2-O 3.47Å; T184-R194 WeakPolarHBondContact OG1-CD 3.31Å; T184-R194 PolarHBondContact OG1-NH1 3.39Å; I192-R194 PolarHBondContact O-N 3.47Å; R194-E236 WeakPolarHBondContact CG-OE1 3.42Å; R194-E236 IonicContact CZ-OE1 2.64Å; R194-E236 IonicContact CZ-OE2 2.76Å; R194-E236 IonicContact NE-OE1 2.64Å; R194-E236 PolarHBondContact NE-OE1 2.9Å; R194-E236 IonicContact NE-OE2 3.78Å; R194-E236 PolarHBondContact NE-OE2 3.03Å; R194-E236 IonicContact NH2-OE1 2.75Å; R194-E236 IonicContact NH2-OE2 2.97Å; R194-E236 PolarHBondContact NH2-OE2 3.47Å |
| 195 | F | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -9 | 178 | -62.6 | -33.8 | 0 | 0 | 0 | 114.7 | L180 I183 E193 I198 V199 L220 I233 E236 F237 C240 | L180-F195 HydrophobicContact CD2-CE1 3.92Å; L180-F195 HydrophobicContact CD2-CZ 3.69Å; I183-F195 HydrophobicContact CG2-CD1 4.16Å; I183-F195 HydrophobicContact CG2-CE1 4.26Å; E193-F195 VanDerWaalsContact C-N 3.28Å; E193-F195 PolarHBondContact O-N 2.64Å; E193-F195 VanDerWaalsContact O-N 3.13Å; F195-I198 HydrophobicContact CD1-CD1 4.2Å; F195-I198 PolarHBondContact O-N 3Å; F195-V199 PolarHBondContact O-N 3.33Å; F195-L220 HydrophobicContact CE1-CD1 4.15Å; F195-I233 HydrophobicContact CE2-CG2 4.14Å; F195-I233 HydrophobicContact CZ-CD1 4.3Å; F195-I233 HydrophobicContact CZ-CG2 4.1Å; F195-E236 HydrophobicContact CD2-CB 4.14Å; F195-E236 VanDerWaalsContact CD2-CD 3.48Å; F195-E236 HydrophobicContact CD2-CG 3.82Å; F195-E236 VanDerWaalsContact CD2-OE1 3.27Å; F195-E236 WeakPolarHBondContact CD2-OE1 3.44Å; F195-E236 HydrophobicContact CE2-CB 4.05Å; F195-E236 HydrophobicContact CE2-CG 3.98Å; F195-E236 WeakPolarHBondContact CE2-OE1 3.38Å; F195-E236 WeakPolarHBondContact CE2-OE2 3.28Å; F195-F237 HydrophobicContact CB-CD1 3.76Å; F195-F237 HydrophobicContact CB-CE1 3.52Å; F195-F237 HydrophobicContact CB-CZ 4.22Å; F195-F237 AromaticContact CD1-CE1 3.73Å; F195-F237 HydrophobicContact CD1-CE1 3.73Å; F195-F237 HydrophobicContact CD1-CE2 4.26Å; F195-F237 AromaticContact CD1-CZ 3.53Å; F195-F237 HydrophobicContact CD1-CZ 3.53Å; F195-F237 AromaticContact CD2-CD1 3.95Å; F195-F237 HydrophobicContact CD2-CD1 3.95Å; F195-F237 HydrophobicContact CD2-CD2 4.03Å; F195-F237 AromaticContact CD2-CE1 3.87Å; F195-F237 HydrophobicContact CD2-CE1 3.87Å; F195-F237 AromaticContact CD2-CE2 3.95Å; F195-F237 HydrophobicContact CD2-CE2 3.95Å; F195-F237 HydrophobicContact CD2-CG 4.02Å; F195-F237 AromaticContact CD2-CZ 3.85Å; F195-F237 HydrophobicContact CD2-CZ 3.85Å; F195-F237 HydrophobicContact CE1-CE1 4.4Å; F195-F237 HydrophobicContact CE1-CE2 4.14Å; F195-F237 AromaticContact CE1-CZ 3.74Å; F195-F237 HydrophobicContact CE1-CZ 3.74Å; F195-F237 HydrophobicContact CE2-CD2 4.05Å; F195-F237 AromaticContact CE2-CE2 3.81Å; F195-F237 HydrophobicContact CE2-CE2 3.81Å; F195-F237 HydrophobicContact CE2-CG 4.49Å; F195-F237 HydrophobicContact CE2-CZ 4.05Å; F195-F237 AromaticContact CG-CD1 3.87Å; F195-F237 HydrophobicContact CG-CD1 3.87Å; F195-F237 AromaticContact CG-CE1 3.43Å; F195-F237 HydrophobicContact CG-CE1 3.43Å; F195-F237 VanDerWaalsContact CG-CE1 3.43Å; F195-F237 HydrophobicContact CG-CE2 4.18Å; F195-F237 HydrophobicContact CG-CG 4.4Å; F195-F237 AromaticContact CG-CZ 3.6Å; F195-F237 HydrophobicContact CG-CZ 3.6Å; F195-F237 AromaticContact CZ-CE2 3.91Å; F195-F237 HydrophobicContact CZ-CE2 3.91Å; F195-F237 HydrophobicContact CZ-CZ 4Å; F195-C240 HydrophobicContact CB-CB 4.48Å |
| 196 | S | 91.9 | Very high | 90.3 | Very high | 45 Ų | 45 | 63.4 Ų | 63.4 | 32% | 0.315 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -54.7 | -43.5 | -178.2 | 177.7 | 0 | 0 | 0 | 0 | 113.7 | E193 I198 V199 Q200 | E193-S196 VanDerWaalsContact O-CB 3.23Å; E193-S196 WeakPolarHBondContact O-CB 3.44Å; E193-S196 PolarHBondContact O-N 2.71Å; S196-I198 VanDerWaalsContact C-N 3.32Å; S196-I198 PolarHBondContact O-N 3.47Å; S196-V199 PolarHBondContact O-N 3.05Å; S196-Q200 WeakPolarHBondContact O-CB 3.26Å; S196-Q200 PolarHBondContact O-N 2.99Å |
| 197 | P | 92.8 | Very high | 90.3 | Very high | 9 Ų | 9 | 66.3 Ų | 66.3 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.8 | -37.5 | 175 | -25.8 | 36.3 | 0 | 0 | 0 | 113.9 | I149 P151 M157 I192 Q200 G201 | I149-P197 HydrophobicContact CG2-CB 3.88Å; P151-P197 HydrophobicContact CG-CB 4.1Å; P151-P197 WeakPolarHBondContact CG-O 3.15Å; M157-P197 WeakPolarHBondContact CE-O 3.18Å; I192-P197 HydrophobicContact CD1-CG 3.62Å; P197-Q200 PolarHBondContact O-N 2.98Å; P197-G201 PolarHBondContact O-N 3.37Å |
| 198 | I | 94.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.5 | -44.5 | -179.1 | -57.9 | 168.2 | 0 | 0 | 0 | 109.6 | I149 F195 S196 Q200 G201 L202 C213 L216 I217 F237 | I149-I198 HydrophobicContact CD1-CG1 4.49Å; I149-I198 HydrophobicContact CG2-CG1 4.42Å; F195-I198 HydrophobicContact CD1-CD1 4.2Å; F195-I198 PolarHBondContact O-N 3Å; S196-I198 VanDerWaalsContact C-N 3.32Å; S196-I198 PolarHBondContact O-N 3.47Å; I198-Q200 VanDerWaalsContact C-N 3.33Å; I198-Q200 PolarHBondContact O-N 3.22Å; I198-G201 PolarHBondContact O-N 2.94Å; I198-G201 VanDerWaalsContact O-N 3.14Å; I198-L202 PolarHBondContact O-N 3.38Å; I198-C213 HydrophobicContact CG2-CB 4.09Å; I198-L216 HydrophobicContact CD1-CD2 3.69Å; I198-L216 HydrophobicContact CD1-CG 4.46Å; I198-L216 HydrophobicContact CG1-CD2 4.22Å; I198-I217 HydrophobicContact CG2-CD1 4.35Å; I198-I217 HydrophobicContact CG2-CG1 4.14Å; I198-F237 HydrophobicContact CB-CE1 4.49Å; I198-F237 HydrophobicContact CG2-CE1 4.34Å |
| 199 | V | 93.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.1 | -33.8 | 176.6 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | F195 S196 G201 L202 F237 C240 I245 | F195-V199 PolarHBondContact O-N 3.33Å; S196-V199 PolarHBondContact O-N 3.05Å; V199-G201 VanDerWaalsContact C-N 3.33Å; V199-L202 WeakPolarHBondContact O-CB 3.34Å; V199-L202 PolarHBondContact O-N 3.32Å; V199-F237 HydrophobicContact CG2-CD1 3.9Å; V199-F237 HydrophobicContact CG2-CE1 4.49Å; V199-C240 WeakPolarHBondContact CG1-O 3.35Å; V199-C240 HydrophobicContact CG2-CB 4.02Å; V199-I245 HydrophobicContact CG1-CD1 3.34Å |
| 200 | Q | 92.1 | Very high | 90.9 | Very high | 112 Ų | 112 | 61 Ų | 61 | 52% | 0.523 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 171 | -172.9 | 178.2 | 7.2 | 0 | 0 | 112.1 | P151 S196 P197 I198 L202 R203 | P151-Q200 HydrophobicContact CB-CB 4.47Å; P151-Q200 HydrophobicContact CB-CG 4.05Å; P151-Q200 HydrophobicContact CG-CB 4.2Å; P151-Q200 HydrophobicContact CG-CG 4.26Å; S196-Q200 WeakPolarHBondContact O-CB 3.26Å; S196-Q200 PolarHBondContact O-N 2.99Å; P197-Q200 PolarHBondContact O-N 2.98Å; I198-Q200 VanDerWaalsContact C-N 3.33Å; I198-Q200 PolarHBondContact O-N 3.22Å; Q200-L202 VanDerWaalsContact C-N 3.25Å; Q200-L202 PolarHBondContact O-N 3.41Å; Q200-R203 WeakPolarHBondContact O-CA 3.36Å; Q200-R203 WeakPolarHBondContact O-CB 3.44Å; Q200-R203 PolarHBondContact O-N 3.29Å |
| 201 | G | 90.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.5 | -30.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P197 I198 V199 R203 D204 | P197-G201 PolarHBondContact O-N 3.37Å; I198-G201 PolarHBondContact O-N 2.94Å; I198-G201 VanDerWaalsContact O-N 3.14Å; V199-G201 VanDerWaalsContact C-N 3.33Å; G201-R203 PolarHBondContact O-N 2.88Å; G201-D204 WeakPolarHBondContact O-CB 3.47Å; G201-D204 PolarHBondContact O-N 3.31Å |
| 202 | L | 92.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21.8 | 172.5 | -61.9 | 172.8 | 0 | 0 | 0 | 113.3 | I198 V199 Q200 Q210 C213 M214 I217 L242 I245 L249 | I198-L202 PolarHBondContact O-N 3.38Å; V199-L202 WeakPolarHBondContact O-CB 3.34Å; V199-L202 PolarHBondContact O-N 3.32Å; Q200-L202 VanDerWaalsContact C-N 3.25Å; Q200-L202 PolarHBondContact O-N 3.41Å; L202-Q210 WeakPolarHBondContact CD2-O 2.78Å; L202-Q210 PolarHBondContact O-NE2 2.93Å; L202-C213 HydrophobicContact CD2-CB 3.64Å; L202-C213 HydrophobicContact CG-CB 4Å; L202-M214 HydrophobicContact CD2-CB 4.38Å; L202-I217 HydrophobicContact CD1-CD1 3.76Å; L202-L242 HydrophobicContact CD1-CD1 3.45Å; L202-L242 VanDerWaalsContact CD1-CD1 3.45Å; L202-I245 HydrophobicContact CB-CG2 3.95Å; L202-L249 HydrophobicContact CB-CD1 4.41Å; L202-L249 HydrophobicContact CD1-CD1 4.28Å; L202-L249 HydrophobicContact CD2-CD1 4.11Å |
| 203 | R | 89.8 | Confident | 91.9 | Very high | 137 Ų | 137 | 49.8 Ų | 49.8 | 52% | 0.517 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -1.4 | 177 | -58.4 | -175.5 | 176.6 | -171.2 | -4.5 | 113.1 | Q200 G201 E244 I245 | Q200-R203 WeakPolarHBondContact O-CA 3.36Å; Q200-R203 WeakPolarHBondContact O-CB 3.44Å; Q200-R203 PolarHBondContact O-N 3.29Å; G201-R203 PolarHBondContact O-N 2.88Å; R203-E244 IonicContact CZ-OE2 2.62Å; R203-E244 IonicContact NH2-OE2 3.49Å; R203-E244 PolarHBondContact NH2-OE2 2.98Å; R203-I245 HydrophobicContact CG-CD1 3.86Å; R203-I245 HydrophobicContact CG-CG1 4.17Å |
| 204 | D | 89.8 | Confident | 92.3 | Very high | 45 Ų | 45 | 43.5 Ų | 43.5 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -75.2 | 159.8 | 174.9 | -172.9 | 31.8 | 0 | 0 | 0 | 112.4 | S154 G201 S206 L209 Q210 | S154-D204 VanDerWaalsContact CB-OD2 3.24Å; S154-D204 WeakPolarHBondContact CB-OD2 3.03Å; S154-D204 PolarHBondContact OG-OD2 3.11Å; G201-D204 WeakPolarHBondContact O-CB 3.47Å; G201-D204 PolarHBondContact O-N 3.31Å; D204-S206 VanDerWaalsContact C-N 3.29Å; D204-S206 PolarHBondContact O-N 3.49Å; D204-S206 WeakPolarHBondContact OD2-CB 3.36Å; D204-S206 PolarHBondContact OD2-N 3.33Å; D204-L209 HydrophobicContact CB-CD2 3.86Å; D204-Q210 PolarHBondContact O-NE2 3.49Å |
| 205 | R | 85.4 | Confident | 92.3 | Very high | 239 Ų | 239 | 41.1 Ų | 41.1 | 90% | 0.902 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -75.6 | -14.4 | 175.5 | -60.3 | -177.9 | -179.2 | -174.7 | -0.2 | 113.4 | I207 | R205-I207 PolarHBondContact O-N 3.29Š|
| 206 | S | 91.3 | Very high | 92.3 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 26% | 0.259 | 19% | 0.19 | S | C | . | . | trans | -80.1 | 103.7 | 178.2 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | D204 Q208 L209 Q210 | D204-S206 VanDerWaalsContact C-N 3.29Å; D204-S206 PolarHBondContact O-N 3.49Å; D204-S206 WeakPolarHBondContact OD2-CB 3.36Å; D204-S206 PolarHBondContact OD2-N 3.33Å; S206-Q208 PolarHBondContact O-N 2.85Å; S206-Q208 VanDerWaalsContact O-N 3.13Å; S206-L209 WeakPolarHBondContact O-CA 3.29Å; S206-L209 WeakPolarHBondContact O-CB 3.26Å; S206-L209 PolarHBondContact O-N 3.25Å; S206-L209 PolarHBondContact OG-N 3.03Å; S206-Q210 PolarHBondContact O-N 2.8Å | ||
| 207 | I | 89.5 | Confident | 92.4 | Very high | 68 Ų | 68 | 39 Ų | 39 | 35% | 0.349 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -54.8 | -32.2 | 172.6 | -57.4 | 173.9 | 0 | 0 | 0 | 111 | R205 L209 Q210 V211 I252 N254 | R205-I207 PolarHBondContact O-N 3.29Å; I207-L209 VanDerWaalsContact C-N 3.34Å; I207-L209 PolarHBondContact O-N 2.91Å; I207-Q210 PolarHBondContact O-N 3.25Å; I207-V211 HydrophobicContact CG2-CG2 4.39Å; I207-V211 WeakPolarHBondContact O-CG2 2.91Å; I207-V211 PolarHBondContact O-N 2.91Å; I207-I252 HydrophobicContact CD1-CG2 4.16Å; I207-I252 HydrophobicContact CG1-CG2 4.32Å; I207-N254 HydrophobicContact CG2-CB 3.84Å |
| 208 | Q | 90.5 | Very high | 92.4 | Very high | 146 Ų | 146 | 38.6 Ų | 38.6 | 68% | 0.682 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -64.6 | -36.4 | 175.4 | -64.5 | -179.1 | -6.6 | 0 | 0 | 112.6 | T158 S206 A212 | T158-Q208 HydrophobicContact CG2-CB 4.46Å; S206-Q208 PolarHBondContact O-N 2.85Å; S206-Q208 VanDerWaalsContact O-N 3.13Å; Q208-A212 VanDerWaalsContact O-CB 3.24Å; Q208-A212 WeakPolarHBondContact O-CB 3.22Å; Q208-A212 PolarHBondContact O-N 3.38Å |
| 209 | L | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -73.3 | -41.7 | 173 | -177.6 | 63.2 | 0 | 0 | 0 | 111 | M157 T158 D204 S206 I207 V211 A212 C213 | M157-L209 HydrophobicContact CB-CD1 3.94Å; M157-L209 HydrophobicContact CE-CD1 4.33Å; M157-L209 HydrophobicContact CG-CD1 3.77Å; M157-L209 HydrophobicContact SD-CD1 3.94Å; M157-L209 HydrophobicContact SD-CD2 4.05Å; T158-L209 WeakPolarHBondContact OG1-CA 3.46Å; D204-L209 HydrophobicContact CB-CD2 3.86Å; S206-L209 WeakPolarHBondContact O-CA 3.29Å; S206-L209 WeakPolarHBondContact O-CB 3.26Å; S206-L209 PolarHBondContact O-N 3.25Å; S206-L209 PolarHBondContact OG-N 3.03Å; I207-L209 VanDerWaalsContact C-N 3.34Å; I207-L209 PolarHBondContact O-N 2.91Å; L209-V211 PolarHBondContact O-N 3.14Å; L209-A212 CarbonylContact O-C 3.6Å; L209-A212 PolarHBondContact O-N 2.84Å; L209-A212 VanDerWaalsContact O-N 3.1Å; L209-C213 WeakPolarHBondContact O-CB 3.46Å; L209-C213 PolarHBondContact O-N 3.47Å; L209-C213 PolarHBondContact O-SG 2.99Å |
| 210 | Q | 94.4 | Very high | 92.1 | Very high | 15 Ų | 15 | 38.3 Ų | 38.3 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.4 | -47.6 | 177.9 | -65.1 | 179.7 | -48.3 | 0 | 0 | 111.6 | L202 D204 S206 I207 A212 M214 L249 L257 | L202-Q210 WeakPolarHBondContact CD2-O 2.78Å; L202-Q210 PolarHBondContact O-NE2 2.93Å; D204-Q210 PolarHBondContact O-NE2 3.49Å; S206-Q210 PolarHBondContact O-N 2.8Å; I207-Q210 PolarHBondContact O-N 3.25Å; Q210-A212 PolarHBondContact O-N 3.27Å; Q210-M214 WeakPolarHBondContact O-CB 3.36Å; Q210-M214 PolarHBondContact O-N 3.28Å; Q210-L249 HydrophobicContact CB-CD2 4.48Å; Q210-L249 HydrophobicContact CG-CD2 4.39Å; Q210-L257 HydrophobicContact CB-CD1 4.44Å |
| 211 | V | 93.6 | Very high | 92 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 173.9 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | I207 L209 M214 Q215 A256 L257 Q260 | I207-V211 HydrophobicContact CG2-CG2 4.39Å; I207-V211 WeakPolarHBondContact O-CG2 2.91Å; I207-V211 PolarHBondContact O-N 2.91Å; L209-V211 PolarHBondContact O-N 3.14Å; V211-M214 PolarHBondContact O-N 2.94Å; V211-Q215 HydrophobicContact CG1-CG 4.42Å; V211-Q215 WeakPolarHBondContact O-CB 3.38Å; V211-Q215 VanDerWaalsContact O-CG 3.28Å; V211-Q215 WeakPolarHBondContact O-CG 3.23Å; V211-Q215 PolarHBondContact O-N 2.79Å; V211-A256 HydrophobicContact CG1-CB 4.16Å; V211-A256 HydrophobicContact CG2-CB 4.22Å; V211-L257 HydrophobicContact CG2-CB 3.76Å; V211-L257 HydrophobicContact CG2-CD1 4.19Å; V211-Q260 HydrophobicContact CG1-CG 4.34Å |
| 212 | A | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.3 | -38.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T158 V161 K162 Q208 L209 Q210 Q215 L216 | T158-A212 HydrophobicContact CG2-CB 3.98Å; V161-A212 VanDerWaalsContact CG2-C 3.48Å; V161-A212 HydrophobicContact CG2-CB 3.51Å; V161-A212 WeakPolarHBondContact CG2-O 3.36Å; K162-A212 HydrophobicContact CD-CB 4.25Å; K162-A212 HydrophobicContact CG-CB 3.94Å; Q208-A212 VanDerWaalsContact O-CB 3.24Å; Q208-A212 WeakPolarHBondContact O-CB 3.22Å; Q208-A212 PolarHBondContact O-N 3.38Å; L209-A212 CarbonylContact O-C 3.6Å; L209-A212 PolarHBondContact O-N 2.84Å; L209-A212 VanDerWaalsContact O-N 3.1Å; Q210-A212 PolarHBondContact O-N 3.27Å; A212-Q215 WeakPolarHBondContact O-CB 3.41Å; A212-Q215 PolarHBondContact O-N 2.93Å; A212-L216 PolarHBondContact O-N 3.41Å; A212-L216 VanDerWaalsContact O-N 3.14Å |
| 213 | C | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.9 | -39.1 | 172.8 | -69.3 | 0 | 0 | 0 | 0 | 111.5 | I198 L202 L209 L216 I217 | I198-C213 HydrophobicContact CG2-CB 4.09Å; L202-C213 HydrophobicContact CD2-CB 3.64Å; L202-C213 HydrophobicContact CG-CB 4Å; L209-C213 WeakPolarHBondContact O-CB 3.46Å; L209-C213 PolarHBondContact O-N 3.47Å; L209-C213 PolarHBondContact O-SG 2.99Å; C213-L216 PolarHBondContact O-N 2.97Å; C213-I217 WeakPolarHBondContact O-CG1 3.12Å; C213-I217 PolarHBondContact O-N 3.41Å |
| 214 | M | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.6 | -34.4 | 175.9 | -157.6 | 69.1 | -156.3 | 0 | 0 | 112.4 | L202 Q210 V211 I217 N218 L246 L257 Q260 L261 F264 | L202-M214 HydrophobicContact CD2-CB 4.38Å; Q210-M214 WeakPolarHBondContact O-CB 3.36Å; Q210-M214 PolarHBondContact O-N 3.28Å; V211-M214 PolarHBondContact O-N 2.94Å; M214-I217 HydrophobicContact CE-CG2 4.28Å; M214-I217 PolarHBondContact O-N 3.14Å; M214-I217 HydrophobicContact SD-CD1 4.26Å; M214-N218 WeakPolarHBondContact O-CB 3.28Å; M214-N218 PolarHBondContact O-N 2.98Å; M214-L246 HydrophobicContact CE-CD2 4.34Å; M214-L257 HydrophobicContact CB-CD1 4.38Å; M214-Q260 HydrophobicContact CB-CB 3.87Å; M214-Q260 HydrophobicContact CB-CG 4.39Å; M214-Q260 HydrophobicContact CG-CB 3.56Å; M214-L261 HydrophobicContact CE-CD2 4.32Å; M214-L261 HydrophobicContact SD-CD2 4.18Å; M214-F264 HydrophobicContact CE-CB 3.42Å; M214-F264 VanDerWaalsContact CE-CB 3.42Å; M214-F264 HydrophobicContact CE-CD1 4.1Å; M214-F264 HydrophobicContact CE-CD2 3.56Å; M214-F264 HydrophobicContact CE-CE2 4.31Å; M214-F264 HydrophobicContact CE-CG 3.42Å; M214-F264 VanDerWaalsContact CE-CG 3.42Å |
| 215 | Q | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.1 | -43.6 | 169.8 | -78.8 | 169.3 | -26.5 | 0 | 0 | 112 | K162 V211 A212 N218 A219 Q260 L953 | K162-Q215 VanDerWaalsContact CE-OE1 3.24Å; V211-Q215 HydrophobicContact CG1-CG 4.42Å; V211-Q215 WeakPolarHBondContact O-CB 3.38Å; V211-Q215 VanDerWaalsContact O-CG 3.28Å; V211-Q215 WeakPolarHBondContact O-CG 3.23Å; V211-Q215 PolarHBondContact O-N 2.79Å; A212-Q215 WeakPolarHBondContact O-CB 3.41Å; A212-Q215 PolarHBondContact O-N 2.93Å; Q215-N218 PolarHBondContact O-N 2.77Å; Q215-A219 WeakPolarHBondContact O-CB 3.41Å; Q215-A219 PolarHBondContact O-N 3.41Å; Q215-Q260 HydrophobicContact CG-CG 3.97Å; Q215-L953 PolarHBondContact NE2-O 2.95Å |
| 216 | L | 94.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70 | -38.9 | 178.1 | -176.7 | 58.9 | 0 | 0 | 0 | 111.9 | V161 L164 S165 I198 A212 C213 A219 L220 | V161-L216 HydrophobicContact CB-CB 4.22Å; V161-L216 HydrophobicContact CB-CD2 3.73Å; V161-L216 HydrophobicContact CG1-CD2 3.85Å; L164-L216 HydrophobicContact CB-CD1 3.9Å; S165-L216 VanDerWaalsContact OG-CA 3.24Å; S165-L216 WeakPolarHBondContact OG-CA 3.41Å; S165-L216 WeakPolarHBondContact OG-CB 3.43Å; S165-L216 PolarHBondContact OG-N 3Å; I198-L216 HydrophobicContact CD1-CD2 3.69Å; I198-L216 HydrophobicContact CD1-CG 4.46Å; I198-L216 HydrophobicContact CG1-CD2 4.22Å; A212-L216 PolarHBondContact O-N 3.41Å; A212-L216 VanDerWaalsContact O-N 3.14Å; C213-L216 PolarHBondContact O-N 2.97Å; L216-A219 PolarHBondContact O-N 3.23Å; L216-L220 HydrophobicContact CD1-CD1 3.99Å; L216-L220 HydrophobicContact CD1-CG 3.99Å; L216-L220 HydrophobicContact CG-CD1 3.88Å; L216-L220 HydrophobicContact CG-CG 4.33Å; L216-L220 WeakPolarHBondContact O-CB 3.4Å; L216-L220 VanDerWaalsContact O-CG 3.26Å; L216-L220 WeakPolarHBondContact O-CG 3.32Å; L216-L220 PolarHBondContact O-N 2.83Å |
| 217 | I | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60 | -47.2 | 173.6 | -69.7 | 163.5 | 0 | 0 | 0 | 110.3 | I198 L202 C213 M214 L220 V221 F237 L242 F264 | I198-I217 HydrophobicContact CG2-CD1 4.35Å; I198-I217 HydrophobicContact CG2-CG1 4.14Å; L202-I217 HydrophobicContact CD1-CD1 3.76Å; C213-I217 WeakPolarHBondContact O-CG1 3.12Å; C213-I217 PolarHBondContact O-N 3.41Å; M214-I217 HydrophobicContact CE-CG2 4.28Å; M214-I217 PolarHBondContact O-N 3.14Å; M214-I217 HydrophobicContact SD-CD1 4.26Å; I217-L220 PolarHBondContact O-N 3.45Å; I217-V221 HydrophobicContact CG2-CG2 4.42Å; I217-V221 WeakPolarHBondContact O-CB 3.47Å; I217-V221 VanDerWaalsContact O-CG2 3.26Å; I217-V221 WeakPolarHBondContact O-CG2 3.25Å; I217-V221 PolarHBondContact O-N 2.87Å; I217-F237 HydrophobicContact CD1-CD1 4.31Å; I217-F237 HydrophobicContact CD1-CE1 4.36Å; I217-F237 HydrophobicContact CG1-CD1 3.92Å; I217-F237 HydrophobicContact CG1-CE1 3.63Å; I217-F237 HydrophobicContact CG1-CE2 4.39Å; I217-F237 HydrophobicContact CG1-CG 4.43Å; I217-F237 HydrophobicContact CG1-CZ 3.9Å; I217-F237 HydrophobicContact CG2-CD2 4.33Å; I217-F237 HydrophobicContact CG2-CG 4.47Å; I217-L242 HydrophobicContact CD1-CD1 4.32Å; I217-L242 HydrophobicContact CD1-CD2 4.44Å; I217-L242 HydrophobicContact CG2-CD2 4.31Å; I217-F264 HydrophobicContact CG2-CD2 4.01Å; I217-F264 HydrophobicContact CG2-CE2 3.8Å |
| 218 | N | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.8 | -50.4 | 175.1 | -73.3 | -16.9 | 0 | 0 | 0 | 111 | M214 Q215 L220 V221 T222 Q260 V263 F264 F959 | M214-N218 WeakPolarHBondContact O-CB 3.28Å; M214-N218 PolarHBondContact O-N 2.98Å; Q215-N218 PolarHBondContact O-N 2.77Å; N218-L220 VanDerWaalsContact C-N 3.29Å; N218-L220 PolarHBondContact O-N 2.66Å; N218-V221 PolarHBondContact O-N 3.26Å; N218-V221 VanDerWaalsContact O-N 3.12Å; N218-T222 WeakPolarHBondContact O-CB 3.21Å; N218-T222 WeakPolarHBondContact O-CG2 3.39Å; N218-T222 PolarHBondContact O-N 3.35Å; N218-T222 PolarHBondContact O-OG1 3.39Å; N218-Q260 PolarHBondContact ND2-O 3.36Å; N218-Q260 PolarHBondContact ND2-OE1 3.26Å; N218-V263 HydrophobicContact CB-CG1 4.34Å; N218-F264 WeakPolarHBondContact OD1-CB 3.48Å; N218-F959 HydrophobicContact CB-CD1 4.35Å; N218-F959 HydrophobicContact CB-CD2 4.25Å; N218-F959 HydrophobicContact CB-CE1 3.87Å; N218-F959 HydrophobicContact CB-CE2 3.77Å; N218-F959 HydrophobicContact CB-CZ 3.54Å |
| 219 | A | 90.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.6 | -32.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | C168 I169 Q215 L216 S223 F959 | C168-A219 HydrophobicContact CB-CB 3.92Å; I169-A219 HydrophobicContact CD1-CB 4.27Å; I169-A219 HydrophobicContact CG1-CB 4.21Å; Q215-A219 WeakPolarHBondContact O-CB 3.41Å; Q215-A219 PolarHBondContact O-N 3.41Å; L216-A219 PolarHBondContact O-N 3.23Å; A219-S223 VanDerWaalsContact O-CB 3.25Å; A219-S223 WeakPolarHBondContact O-CB 3.34Å; A219-S223 PolarHBondContact O-OG 2.7Å; A219-S223 VanDerWaalsContact O-OG 3.11Å; A219-F959 HydrophobicContact CB-CE1 4.15Å; A219-F959 HydrophobicContact CB-CZ 4.22Å |
| 220 | L | 91.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -79.3 | -29.7 | 175.9 | -67.9 | 171.6 | 0 | 0 | 0 | 113 | L176 V179 L180 I183 F195 L216 I217 N218 I233 F237 | L176-L220 HydrophobicContact CD1-CD2 3.63Å; V179-L220 HydrophobicContact CG1-CD2 4.33Å; L180-L220 HydrophobicContact CD2-CD2 3.94Å; L180-L220 HydrophobicContact CG-CD2 4.26Å; I183-L220 HydrophobicContact CD1-CD1 4.29Å; F195-L220 HydrophobicContact CE1-CD1 4.15Å; L216-L220 HydrophobicContact CD1-CD1 3.99Å; L216-L220 HydrophobicContact CD1-CG 3.99Å; L216-L220 HydrophobicContact CG-CD1 3.88Å; L216-L220 HydrophobicContact CG-CG 4.33Å; L216-L220 WeakPolarHBondContact O-CB 3.4Å; L216-L220 VanDerWaalsContact O-CG 3.26Å; L216-L220 WeakPolarHBondContact O-CG 3.32Å; L216-L220 PolarHBondContact O-N 2.83Å; I217-L220 PolarHBondContact O-N 3.45Å; N218-L220 VanDerWaalsContact C-N 3.29Å; N218-L220 PolarHBondContact O-N 2.66Å; L220-I233 HydrophobicContact CB-CG2 4.41Å; L220-F237 HydrophobicContact CB-CE2 4.23Å; L220-F237 HydrophobicContact CD1-CE2 4.21Å; L220-F237 HydrophobicContact CD1-CZ 3.8Å |
| 221 | V | 89.9 | Confident | 88.6 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -91.8 | -32.1 | -176.5 | 172.7 | 0 | 0 | 0 | 0 | 113 | I217 N218 R230 I233 R234 F237 | I217-V221 HydrophobicContact CG2-CG2 4.42Å; I217-V221 WeakPolarHBondContact O-CB 3.47Å; I217-V221 VanDerWaalsContact O-CG2 3.26Å; I217-V221 WeakPolarHBondContact O-CG2 3.25Å; I217-V221 PolarHBondContact O-N 2.87Å; N218-V221 PolarHBondContact O-N 3.26Å; N218-V221 VanDerWaalsContact O-N 3.12Å; V221-R230 VanDerWaalsContact O-CD 3.28Å; V221-R230 WeakPolarHBondContact O-CD 3.27Å; V221-R230 VanDerWaalsContact O-CG 3.23Å; V221-R230 WeakPolarHBondContact O-CG 3.4Å; V221-I233 HydrophobicContact CG2-CG2 3.92Å; V221-R234 HydrophobicContact CG1-CB 4.06Å; V221-R234 HydrophobicContact CG1-CG 4.45Å; V221-R234 VanDerWaalsContact CG1-CZ 3.46Å; V221-R234 HydrophobicContact CG2-CB 4.31Å; V221-F237 HydrophobicContact CG2-CD2 4.09Å; V221-F237 HydrophobicContact CG2-CE2 4.31Å |
| 222 | T | 87.1 | Confident | 88.3 | Confident | 27 Ų | 27 | 28 Ų | 28 | 17% | 0.166 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -99.5 | -15.5 | -174.6 | 71.6 | 0 | 0 | 0 | 0 | 114.6 | N218 P224 H267 F959 | N218-T222 WeakPolarHBondContact O-CB 3.21Å; N218-T222 WeakPolarHBondContact O-CG2 3.39Å; N218-T222 PolarHBondContact O-N 3.35Å; N218-T222 PolarHBondContact O-OG1 3.39Å; T222-P224 VanDerWaalsContact C-CD 3.49Å; T222-H267 HydrophobicContact CG2-CB 3.97Å; T222-H267 VanDerWaalsContact CG2-ND1 3.32Å; T222-H267 WeakPolarHBondContact CG2-ND1 3.43Å; T222-F959 WeakPolarHBondContact OG1-CD1 3.42Å |
| 223 | S | 82 | Confident | 88.1 | Confident | 19 Ų | 19 | 28 Ų | 28 | 13% | 0.133 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -72.4 | -29.7 | 177 | -76.3 | 0 | 0 | 0 | 0 | 116.4 | C168 A219 K930 | C168-S223 WeakPolarHBondContact O-CB 3.3Å; C168-S223 PolarHBondContact O-OG 3.25Å; A219-S223 VanDerWaalsContact O-CB 3.25Å; A219-S223 WeakPolarHBondContact O-CB 3.34Å; A219-S223 PolarHBondContact O-OG 2.7Å; A219-S223 VanDerWaalsContact O-OG 3.11Å; S223-K930 PolarHBondContact O-NZ 3.29Å |
| 224 | P | 83.9 | Confident | 87.9 | Confident | 14 Ų | 14 | 28.1 Ų | 28.1 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | trans | -68.9 | 129 | 177.5 | -11.3 | 22.2 | 0 | 0 | 0 | 113 | L176 T222 E226 F229 R230 | L176-P224 HydrophobicContact CD2-CB 4.37Å; L176-P224 HydrophobicContact CD2-CG 3.67Å; T222-P224 VanDerWaalsContact C-CD 3.49Å; P224-E226 VanDerWaalsContact C-N 3.28Å; P224-E226 PolarHBondContact O-N 3.4Å; P224-F229 HydrophobicContact CB-CB 4.43Å; P224-F229 HydrophobicContact CB-CD1 3.73Å; P224-F229 HydrophobicContact CB-CE1 4.47Å; P224-F229 HydrophobicContact CB-CG 4.46Å; P224-F229 HydrophobicContact CG-CD1 3.63Å; P224-F229 HydrophobicContact CG-CE1 4.1Å; P224-R230 HydrophobicContact CB-CG 3.83Å; P224-R230 HydrophobicContact CG-CG 3.94Å; P224-R230 VanDerWaalsContact O-CD 3.26Å; P224-R230 WeakPolarHBondContact O-CD 3.24Å; P224-R230 WeakPolarHBondContact O-CG 3.35Å; P224-R230 PolarHBondContact O-NH1 2.63Å | ||
| 225 | D | 78.3 | Confident | 87.5 | Confident | 83 Ų | 83 | 28.6 Ų | 28.6 | 44% | 0.444 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -70 | -22.9 | 175.4 | -81.4 | 28.6 | 0 | 0 | 0 | 112.2 | R230 K930 | D225-R230 VanDerWaalsContact C-NH1 3.29Å; D225-R230 PolarHBondContact O-NH1 3.23Å; D225-K930 IonicContact OD1-NZ 2.62Å; D225-K930 PolarHBondContact OD1-NZ 2.84Å |
| 226 | E | 80.6 | Confident | 87.2 | Confident | 142 Ų | 142 | 29.8 Ų | 29.8 | 66% | 0.664 | 15% | 0.149 | S | C | * | . | trans | -92.3 | 125.3 | -178.6 | -62.7 | -165.4 | 161.7 | 0 | 0 | 114 | P224 D228 F229 R230 | P224-E226 VanDerWaalsContact C-N 3.28Å; P224-E226 PolarHBondContact O-N 3.4Å; E226-D228 PolarHBondContact O-N 2.86Å; E226-F229 HydrophobicContact CB-CB 4.3Å; E226-F229 PolarHBondContact O-N 2.69Å; E226-R230 PolarHBondContact O-N 2.73Å; E226-R230 VanDerWaalsContact O-N 3.07Å | ||
| 227 | L | 83.1 | Confident | 87 | Confident | 13 Ų | 13 | 29.8 Ų | 29.8 | 7% | 0.068 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.2 | -47.7 | -179.4 | 177.9 | 64.5 | 0 | 0 | 0 | 113.4 | F229 R230 L231 D271 E274 F275 | L227-F229 PolarHBondContact O-N 3.33Å; L227-R230 PolarHBondContact O-N 2.74Å; L227-R230 VanDerWaalsContact O-N 3.12Å; L227-L231 HydrophobicContact CD1-CD1 4.05Å; L227-L231 HydrophobicContact CD1-CG 4.03Å; L227-L231 HydrophobicContact CG-CD1 3.92Å; L227-L231 HydrophobicContact CG-CG 4.3Å; L227-L231 WeakPolarHBondContact O-CG 3.46Å; L227-L231 PolarHBondContact O-N 3.43Å; L227-D271 HydrophobicContact CD1-CB 3.71Å; L227-D271 WeakPolarHBondContact CD1-OD1 3.16Å; L227-E274 HydrophobicContact CD1-CB 4.34Å; L227-E274 HydrophobicContact CD2-CB 4.09Å; L227-E274 HydrophobicContact CD2-CG 4.04Å; L227-F275 HydrophobicContact CD2-CB 4.07Å; L227-F275 HydrophobicContact CD2-CD2 4.18Å |
| 228 | D | 83.4 | Confident | 86.7 | Confident | 81 Ų | 81 | 31.1 Ų | 31.1 | 43% | 0.433 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.2 | -32.1 | -176.7 | -69.4 | -25.9 | 0 | 0 | 0 | 111.4 | E226 H232 R278 | E226-D228 PolarHBondContact O-N 2.86Å; D228-H232 WeakPolarHBondContact O-CB 3.26Å; D228-H232 PolarHBondContact O-N 2.84Å; D228-R278 IonicContact OD1-CZ 3.86Å; D228-R278 IonicContact OD1-NH1 3.98Å; D228-R278 PolarHBondContact OD1-NH1 2.77Å; D228-R278 IonicContact OD2-CZ 2.63Å; D228-R278 IonicContact OD2-NH1 3.69Å; D228-R278 PolarHBondContact OD2-NH1 2.93Å; D228-R278 IonicContact OD2-NH2 2.93Å; D228-R278 PolarHBondContact OD2-NH2 3Å |
| 229 | F | 83.9 | Confident | 86.2 | Confident | 71 Ų | 71 | 37.2 Ų | 37.2 | 31% | 0.311 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -74.7 | -42.1 | 173.8 | -162.7 | -84.6 | 0 | 0 | 0 | 112.4 | L180 P224 E226 L227 L231 H232 I233 | L180-F229 HydrophobicContact CD1-CE1 3.79Å; L180-F229 HydrophobicContact CD1-CZ 3.73Å; P224-F229 HydrophobicContact CB-CB 4.43Å; P224-F229 HydrophobicContact CB-CD1 3.73Å; P224-F229 HydrophobicContact CB-CE1 4.47Å; P224-F229 HydrophobicContact CB-CG 4.46Å; P224-F229 HydrophobicContact CG-CD1 3.63Å; P224-F229 HydrophobicContact CG-CE1 4.1Å; E226-F229 HydrophobicContact CB-CB 4.3Å; E226-F229 PolarHBondContact O-N 2.69Å; L227-F229 PolarHBondContact O-N 3.33Å; F229-L231 VanDerWaalsContact C-N 3.35Å; F229-L231 PolarHBondContact O-N 3.04Å; F229-H232 PolarHBondContact O-N 2.97Å; F229-I233 HydrophobicContact CD1-CG1 3.98Å; F229-I233 HydrophobicContact CE1-CD1 4.16Å; F229-I233 HydrophobicContact CE1-CG1 3.77Å; F229-I233 HydrophobicContact CZ-CD1 4.42Å; F229-I233 HydrophobicContact CZ-CG1 4.47Å; F229-I233 WeakPolarHBondContact O-CG1 3.15Å; F229-I233 PolarHBondContact O-N 2.89Å; F229-I233 VanDerWaalsContact O-N 3.09Å |
| 230 | R | 88.6 | Confident | 86.1 | Confident | 20 Ų | 20 | 38.7 Ų | 38.7 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.2 | -44.8 | 173.8 | -66.1 | -161.9 | -63.7 | -83.2 | 2.1 | 111.9 | V221 P224 D225 E226 L227 R234 D271 E274 | V221-R230 VanDerWaalsContact O-CD 3.28Å; V221-R230 WeakPolarHBondContact O-CD 3.27Å; V221-R230 VanDerWaalsContact O-CG 3.23Å; V221-R230 WeakPolarHBondContact O-CG 3.4Å; P224-R230 HydrophobicContact CB-CG 3.83Å; P224-R230 HydrophobicContact CG-CG 3.94Å; P224-R230 VanDerWaalsContact O-CD 3.26Å; P224-R230 WeakPolarHBondContact O-CD 3.24Å; P224-R230 WeakPolarHBondContact O-CG 3.35Å; P224-R230 PolarHBondContact O-NH1 2.63Å; D225-R230 VanDerWaalsContact C-NH1 3.29Å; D225-R230 PolarHBondContact O-NH1 3.23Å; E226-R230 PolarHBondContact O-N 2.73Å; E226-R230 VanDerWaalsContact O-N 3.07Å; L227-R230 PolarHBondContact O-N 2.74Å; L227-R230 VanDerWaalsContact O-N 3.12Å; R230-R234 WeakPolarHBondContact O-CB 3.3Å; R230-R234 PolarHBondContact O-N 3.42Å; R230-D271 IonicContact CZ-OD1 2.69Å; R230-D271 IonicContact NE-OD1 3.71Å; R230-D271 PolarHBondContact NE-OD1 2.97Å; R230-D271 IonicContact NE-OD2 3.53Å; R230-D271 PolarHBondContact NE-OD2 3.15Å; R230-D271 IonicContact NH2-OD1 3.42Å; R230-D271 PolarHBondContact NH2-OD1 3.32Å; R230-E274 IonicContact NH2-OE1 3.71Å; R230-E274 IonicContact NH2-OE2 2.66Å; R230-E274 PolarHBondContact NH2-OE2 3.37Å |
| 231 | L | 85.2 | Confident | 85.8 | Confident | 23 Ų | 23 | 39.2 Ų | 39.2 | 12% | 0.12 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 175.9 | -68.9 | 175.5 | 0 | 0 | 0 | 111.4 | L227 F229 I233 R234 N235 D271 F275 | L227-L231 HydrophobicContact CD1-CD1 4.05Å; L227-L231 HydrophobicContact CD1-CG 4.03Å; L227-L231 HydrophobicContact CG-CD1 3.92Å; L227-L231 HydrophobicContact CG-CG 4.3Å; L227-L231 WeakPolarHBondContact O-CG 3.46Å; L227-L231 PolarHBondContact O-N 3.43Å; F229-L231 VanDerWaalsContact C-N 3.35Å; F229-L231 PolarHBondContact O-N 3.04Å; L231-I233 PolarHBondContact O-N 3.18Å; L231-R234 PolarHBondContact O-N 2.97Å; L231-N235 WeakPolarHBondContact O-CB 3.44Å; L231-N235 PolarHBondContact O-N 3.43Å; L231-N235 PolarHBondContact O-OD1 3.05Å; L231-D271 HydrophobicContact CD2-CB 4.27Å; L231-F275 HydrophobicContact CD1-CD2 3.96Å; L231-F275 HydrophobicContact CD1-CE2 4.35Å; L231-F275 HydrophobicContact CD1-CG 4.43Å |
| 232 | H | 87 | Confident | 85.8 | Confident | 95 Ų | 95 | 39.2 Ų | 39.2 | 44% | 0.44 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -55.9 | -52.8 | 177.6 | 177.1 | 83.4 | 0 | 0 | 0 | 112.7 | D228 F229 N235 E236 | D228-H232 WeakPolarHBondContact O-CB 3.26Å; D228-H232 PolarHBondContact O-N 2.84Å; F229-H232 PolarHBondContact O-N 2.97Å; H232-N235 PolarHBondContact O-N 3.4Å; H232-E236 PolarHBondContact O-N 3.4Å |
| 233 | I | 89.6 | Confident | 85.7 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.7 | -42.3 | -179.4 | -60.5 | -64.9 | 0 | 0 | 0 | 111.1 | L180 F195 L220 V221 F229 L231 N235 E236 F237 | L180-I233 HydrophobicContact CD1-CD1 4.02Å; L180-I233 HydrophobicContact CD2-CD1 4.1Å; F195-I233 HydrophobicContact CE2-CG2 4.14Å; F195-I233 HydrophobicContact CZ-CD1 4.3Å; F195-I233 HydrophobicContact CZ-CG2 4.1Å; L220-I233 HydrophobicContact CB-CG2 4.41Å; V221-I233 HydrophobicContact CG2-CG2 3.92Å; F229-I233 HydrophobicContact CD1-CG1 3.98Å; F229-I233 HydrophobicContact CE1-CD1 4.16Å; F229-I233 HydrophobicContact CE1-CG1 3.77Å; F229-I233 HydrophobicContact CZ-CD1 4.42Å; F229-I233 HydrophobicContact CZ-CG1 4.47Å; F229-I233 WeakPolarHBondContact O-CG1 3.15Å; F229-I233 PolarHBondContact O-N 2.89Å; F229-I233 VanDerWaalsContact O-N 3.09Å; L231-I233 PolarHBondContact O-N 3.18Å; I233-N235 PolarHBondContact O-N 3.38Å; I233-E236 PolarHBondContact O-N 3.17Å; I233-F237 HydrophobicContact CG2-CD2 3.94Å; I233-F237 HydrophobicContact CG2-CE2 3.75Å; I233-F237 WeakPolarHBondContact O-CD2 3.21Å; I233-F237 PolarHBondContact O-N 3.32Å; I233-F237 VanDerWaalsContact O-N 3.1Å |
| 234 | R | 90.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 176.5 | -171.7 | -175.8 | -73.9 | 103.5 | -12.7 | 111.7 | V221 R230 L231 E236 F237 M238 F264 H267 D271 | V221-R234 HydrophobicContact CG1-CB 4.06Å; V221-R234 HydrophobicContact CG1-CG 4.45Å; V221-R234 VanDerWaalsContact CG1-CZ 3.46Å; V221-R234 HydrophobicContact CG2-CB 4.31Å; R230-R234 WeakPolarHBondContact O-CB 3.3Å; R230-R234 PolarHBondContact O-N 3.42Å; L231-R234 PolarHBondContact O-N 2.97Å; R234-E236 VanDerWaalsContact C-N 3.32Å; R234-E236 PolarHBondContact O-N 2.68Å; R234-F237 PolarHBondContact O-N 3.29Å; R234-M238 VanDerWaalsContact O-CG 3.25Å; R234-M238 WeakPolarHBondContact O-CG 3.46Å; R234-M238 PolarHBondContact O-N 3.41Å; R234-M238 VanDerWaalsContact O-N 3.08Å; R234-F264 HydrophobicContact CG-CE2 4.19Å; R234-F264 HydrophobicContact CG-CZ 3.89Å; R234-H267 PolarHBondContact NH2-O 2.94Å; R234-D271 IonicContact CZ-OD2 2.81Å; R234-D271 IonicContact NH1-OD2 3.66Å; R234-D271 PolarHBondContact NH1-OD2 2.94Å; R234-D271 IonicContact NH2-OD2 3.81Å; R234-D271 PolarHBondContact NH2-OD2 3.49Å |
| 235 | N | 85.9 | Confident | 86.1 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 6% | 0.059 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.4 | -32.8 | -179.9 | -67.9 | -4 | 0 | 0 | 0 | 111.9 | L231 H232 I233 M238 R239 T347 D348 | L231-N235 WeakPolarHBondContact O-CB 3.44Å; L231-N235 PolarHBondContact O-N 3.43Å; L231-N235 PolarHBondContact O-OD1 3.05Å; H232-N235 PolarHBondContact O-N 3.4Å; I233-N235 PolarHBondContact O-N 3.38Å; N235-M238 PolarHBondContact O-N 3.4Å; N235-R239 WeakPolarHBondContact O-CG 3.33Å; N235-R239 PolarHBondContact O-N 2.69Å; N235-T347 WeakPolarHBondContact OD1-CA 3.32Å; N235-T347 VanDerWaalsContact OD1-CB 3.28Å; N235-T347 WeakPolarHBondContact OD1-CB 3.4Å; N235-T347 WeakPolarHBondContact OD1-CG2 3.41Å; N235-D348 VanDerWaalsContact CB-OD2 3.3Å; N235-D348 WeakPolarHBondContact CB-OD2 3.33Å; N235-D348 PolarHBondContact ND2-N 3.27Å; N235-D348 PolarHBondContact ND2-OD1 3.34Å; N235-D348 VanDerWaalsContact ND2-OD1 3.08Å; N235-D348 PolarHBondContact ND2-OD2 3.33Å |
| 236 | E | 88.1 | Confident | 86.6 | Confident | 25 Ų | 25 | 43.4 Ų | 43.4 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.3 | -49.1 | 172.6 | -165.1 | -171.5 | 148.4 | 0 | 0 | 112 | R194 F195 H232 I233 R234 M238 R239 C240 | R194-E236 WeakPolarHBondContact CG-OE1 3.42Å; R194-E236 IonicContact CZ-OE1 2.64Å; R194-E236 IonicContact CZ-OE2 2.76Å; R194-E236 IonicContact NE-OE1 2.64Å; R194-E236 PolarHBondContact NE-OE1 2.9Å; R194-E236 IonicContact NE-OE2 3.78Å; R194-E236 PolarHBondContact NE-OE2 3.03Å; R194-E236 IonicContact NH2-OE1 2.75Å; R194-E236 IonicContact NH2-OE2 2.97Å; R194-E236 PolarHBondContact NH2-OE2 3.47Å; F195-E236 HydrophobicContact CD2-CB 4.14Å; F195-E236 VanDerWaalsContact CD2-CD 3.48Å; F195-E236 HydrophobicContact CD2-CG 3.82Å; F195-E236 VanDerWaalsContact CD2-OE1 3.27Å; F195-E236 WeakPolarHBondContact CD2-OE1 3.44Å; F195-E236 HydrophobicContact CE2-CB 4.05Å; F195-E236 HydrophobicContact CE2-CG 3.98Å; F195-E236 WeakPolarHBondContact CE2-OE1 3.38Å; F195-E236 WeakPolarHBondContact CE2-OE2 3.28Å; H232-E236 PolarHBondContact O-N 3.4Å; I233-E236 PolarHBondContact O-N 3.17Å; R234-E236 VanDerWaalsContact C-N 3.32Å; R234-E236 PolarHBondContact O-N 2.68Å; E236-M238 PolarHBondContact O-N 2.7Å; E236-R239 PolarHBondContact O-N 3.28Å; E236-R239 VanDerWaalsContact O-N 3.11Å; E236-C240 PolarHBondContact O-N 2.78Å; E236-C240 PolarHBondContact O-SG 2.7Å; E236-C240 VanDerWaalsContact O-SG 3.36Å |
| 237 | F | 91 | Very high | 86.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.5 | -38.8 | 173.6 | -84.5 | -66.8 | 0 | 0 | 0 | 112.6 | F195 I198 V199 I217 L220 V221 I233 R234 C240 L242 | F195-F237 HydrophobicContact CB-CD1 3.76Å; F195-F237 HydrophobicContact CB-CE1 3.52Å; F195-F237 HydrophobicContact CB-CZ 4.22Å; F195-F237 AromaticContact CD1-CE1 3.73Å; F195-F237 HydrophobicContact CD1-CE1 3.73Å; F195-F237 HydrophobicContact CD1-CE2 4.26Å; F195-F237 AromaticContact CD1-CZ 3.53Å; F195-F237 HydrophobicContact CD1-CZ 3.53Å; F195-F237 AromaticContact CD2-CD1 3.95Å; F195-F237 HydrophobicContact CD2-CD1 3.95Å; F195-F237 HydrophobicContact CD2-CD2 4.03Å; F195-F237 AromaticContact CD2-CE1 3.87Å; F195-F237 HydrophobicContact CD2-CE1 3.87Å; F195-F237 AromaticContact CD2-CE2 3.95Å; F195-F237 HydrophobicContact CD2-CE2 3.95Å; F195-F237 HydrophobicContact CD2-CG 4.02Å; F195-F237 AromaticContact CD2-CZ 3.85Å; F195-F237 HydrophobicContact CD2-CZ 3.85Å; F195-F237 HydrophobicContact CE1-CE1 4.4Å; F195-F237 HydrophobicContact CE1-CE2 4.14Å; F195-F237 AromaticContact CE1-CZ 3.74Å; F195-F237 HydrophobicContact CE1-CZ 3.74Å; F195-F237 HydrophobicContact CE2-CD2 4.05Å; F195-F237 AromaticContact CE2-CE2 3.81Å; F195-F237 HydrophobicContact CE2-CE2 3.81Å; F195-F237 HydrophobicContact CE2-CG 4.49Å; F195-F237 HydrophobicContact CE2-CZ 4.05Å; F195-F237 AromaticContact CG-CD1 3.87Å; F195-F237 HydrophobicContact CG-CD1 3.87Å; F195-F237 AromaticContact CG-CE1 3.43Å; F195-F237 HydrophobicContact CG-CE1 3.43Å; F195-F237 VanDerWaalsContact CG-CE1 3.43Å; F195-F237 HydrophobicContact CG-CE2 4.18Å; F195-F237 HydrophobicContact CG-CG 4.4Å; F195-F237 AromaticContact CG-CZ 3.6Å; F195-F237 HydrophobicContact CG-CZ 3.6Å; F195-F237 AromaticContact CZ-CE2 3.91Å; F195-F237 HydrophobicContact CZ-CE2 3.91Å; F195-F237 HydrophobicContact CZ-CZ 4Å; I198-F237 HydrophobicContact CB-CE1 4.49Å; I198-F237 HydrophobicContact CG2-CE1 4.34Å; V199-F237 HydrophobicContact CG2-CD1 3.9Å; V199-F237 HydrophobicContact CG2-CE1 4.49Å; I217-F237 HydrophobicContact CD1-CD1 4.31Å; I217-F237 HydrophobicContact CD1-CE1 4.36Å; I217-F237 HydrophobicContact CG1-CD1 3.92Å; I217-F237 HydrophobicContact CG1-CE1 3.63Å; I217-F237 HydrophobicContact CG1-CE2 4.39Å; I217-F237 HydrophobicContact CG1-CG 4.43Å; I217-F237 HydrophobicContact CG1-CZ 3.9Å; I217-F237 HydrophobicContact CG2-CD2 4.33Å; I217-F237 HydrophobicContact CG2-CG 4.47Å; L220-F237 HydrophobicContact CB-CE2 4.23Å; L220-F237 HydrophobicContact CD1-CE2 4.21Å; L220-F237 HydrophobicContact CD1-CZ 3.8Å; V221-F237 HydrophobicContact CG2-CD2 4.09Å; V221-F237 HydrophobicContact CG2-CE2 4.31Å; I233-F237 HydrophobicContact CG2-CD2 3.94Å; I233-F237 HydrophobicContact CG2-CE2 3.75Å; I233-F237 WeakPolarHBondContact O-CD2 3.21Å; I233-F237 PolarHBondContact O-N 3.32Å; I233-F237 VanDerWaalsContact O-N 3.1Å; R234-F237 PolarHBondContact O-N 3.29Å; F237-C240 PolarHBondContact O-N 3.45Å; F237-L242 HydrophobicContact CB-CD2 3.99Å; F237-L242 WeakPolarHBondContact O-CB 3.26Å; F237-L242 PolarHBondContact O-N 2.85Å |
| 238 | M | 87.1 | Confident | 87.2 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 14% | 0.138 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -67.8 | -40.5 | 177.6 | -68.6 | -73.8 | -85.2 | 0 | 0 | 112.3 | R234 N235 E236 G241 L242 K243 L246 T347 | R234-M238 VanDerWaalsContact O-CG 3.25Å; R234-M238 WeakPolarHBondContact O-CG 3.46Å; R234-M238 PolarHBondContact O-N 3.41Å; R234-M238 VanDerWaalsContact O-N 3.08Å; N235-M238 PolarHBondContact O-N 3.4Å; E236-M238 PolarHBondContact O-N 2.7Å; M238-G241 PolarHBondContact O-N 2.96Å; M238-L242 HydrophobicContact SD-CB 4.14Å; M238-L242 HydrophobicContact SD-CD2 4.21Å; M238-L242 HydrophobicContact SD-CG 4.12Å; M238-K243 HydrophobicContact CE-CB 3.81Å; M238-K243 HydrophobicContact CE-CD 4.48Å; M238-K243 HydrophobicContact CE-CG 3.97Å; M238-K243 HydrophobicContact SD-CB 3.97Å; M238-L246 HydrophobicContact CE-CD1 4.49Å; M238-L246 HydrophobicContact SD-CD1 4Å; M238-T347 HydrophobicContact CE-CG2 4.09Å; M238-T347 HydrophobicContact CG-CG2 4.08Å |
| 239 | R | 83.7 | Confident | 87.5 | Confident | 127 Ų | 127 | 41.6 Ų | 41.6 | 48% | 0.479 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -64.2 | -35.1 | 170.4 | -76.2 | -175.9 | -72.2 | -92.4 | -0.1 | 112.9 | N235 E236 G241 D348 | N235-R239 WeakPolarHBondContact O-CG 3.33Å; N235-R239 PolarHBondContact O-N 2.69Å; E236-R239 PolarHBondContact O-N 3.28Å; E236-R239 VanDerWaalsContact O-N 3.11Å; R239-G241 PolarHBondContact O-N 2.9Å; R239-G241 VanDerWaalsContact O-N 3.09Å; R239-D348 IonicContact CZ-OD2 2.76Å; R239-D348 IonicContact NH1-OD2 2.7Å; R239-D348 PolarHBondContact NH1-OD2 3Å |
| 240 | C | 87.5 | Confident | 87.6 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 21% | 0.209 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -70.3 | 4.5 | 173.5 | -65.7 | 0 | 0 | 0 | 0 | 114.1 | F195 V199 E236 F237 | F195-C240 HydrophobicContact CB-CB 4.48Å; V199-C240 WeakPolarHBondContact CG1-O 3.35Å; V199-C240 HydrophobicContact CG2-CB 4.02Å; E236-C240 PolarHBondContact O-N 2.78Å; E236-C240 PolarHBondContact O-SG 2.7Å; E236-C240 VanDerWaalsContact O-SG 3.36Å; F237-C240 PolarHBondContact O-N 3.45Å |
| 241 | G | 85.9 | Confident | 87.5 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 12% | 0.124 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | 102.6 | 5.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | M238 R239 K243 E244 I245 | M238-G241 PolarHBondContact O-N 2.96Å; R239-G241 PolarHBondContact O-N 2.9Å; R239-G241 VanDerWaalsContact O-N 3.09Å; G241-K243 PolarHBondContact O-N 3.44Å; G241-E244 PolarHBondContact O-N 3.01Å; G241-I245 WeakPolarHBondContact O-CD1 3.42Å; G241-I245 WeakPolarHBondContact O-CG1 3.4Å |
| 242 | L | 89.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -57.6 | -36.1 | 176.5 | 179.5 | 61.5 | 0 | 0 | 0 | 112.1 | L202 I217 F237 M238 E244 I245 L246 F264 | L202-L242 HydrophobicContact CD1-CD1 3.45Å; L202-L242 VanDerWaalsContact CD1-CD1 3.45Å; I217-L242 HydrophobicContact CD1-CD1 4.32Å; I217-L242 HydrophobicContact CD1-CD2 4.44Å; I217-L242 HydrophobicContact CG2-CD2 4.31Å; F237-L242 HydrophobicContact CB-CD2 3.99Å; F237-L242 WeakPolarHBondContact O-CB 3.26Å; F237-L242 PolarHBondContact O-N 2.85Å; M238-L242 HydrophobicContact SD-CB 4.14Å; M238-L242 HydrophobicContact SD-CD2 4.21Å; M238-L242 HydrophobicContact SD-CG 4.12Å; L242-E244 PolarHBondContact O-N 3.4Å; L242-I245 PolarHBondContact O-N 3.44Å; L242-L246 HydrophobicContact CD1-CD2 4.06Å; L242-L246 HydrophobicContact CD1-CG 3.95Å; L242-L246 HydrophobicContact CD2-CD1 4.49Å; L242-L246 HydrophobicContact CG-CD1 4Å; L242-L246 HydrophobicContact CG-CD2 4.38Å; L242-L246 HydrophobicContact CG-CG 3.95Å; L242-L246 WeakPolarHBondContact O-CG 3.42Å; L242-L246 PolarHBondContact O-N 2.96Å; L242-F264 HydrophobicContact CD2-CE2 4.2Å; L242-F264 HydrophobicContact CD2-CZ 3.87Å |
| 243 | K | 85.5 | Confident | 87.5 | Confident | 107 Ų | 107 | 56 Ų | 56 | 47% | 0.465 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -54.8 | -35.8 | 178.1 | -174.4 | 179.6 | 176.3 | -176.6 | 0 | 113.5 | M238 G241 I245 P247 | M238-K243 HydrophobicContact CE-CB 3.81Å; M238-K243 HydrophobicContact CE-CD 4.48Å; M238-K243 HydrophobicContact CE-CG 3.97Å; M238-K243 HydrophobicContact SD-CB 3.97Å; G241-K243 PolarHBondContact O-N 3.44Å; K243-I245 VanDerWaalsContact C-N 3.34Å; K243-P247 WeakPolarHBondContact O-CD 3.35Å |
| 244 | E | 85.8 | Confident | 87.6 | Confident | 101 Ų | 101 | 58.3 Ų | 58.3 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -76.7 | -22.6 | 178.8 | -53.2 | -177.6 | 141.5 | 0 | 0 | 112.9 | R203 G241 L242 Q248 | R203-E244 IonicContact CZ-OE2 2.62Å; R203-E244 IonicContact NH2-OE2 3.49Å; R203-E244 PolarHBondContact NH2-OE2 2.98Å; G241-E244 PolarHBondContact O-N 3.01Å; L242-E244 PolarHBondContact O-N 3.4Å; E244-Q248 PolarHBondContact O-NE2 3.33Å |
| 245 | I | 89.1 | Confident | 87.4 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.015 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -99.5 | -35.6 | -167.3 | -59.1 | 163.3 | 0 | 0 | 0 | 111.1 | V199 L202 R203 G241 L242 K243 P247 Q248 L249 | V199-I245 HydrophobicContact CG1-CD1 3.34Å; L202-I245 HydrophobicContact CB-CG2 3.95Å; R203-I245 HydrophobicContact CG-CD1 3.86Å; R203-I245 HydrophobicContact CG-CG1 4.17Å; G241-I245 WeakPolarHBondContact O-CD1 3.42Å; G241-I245 WeakPolarHBondContact O-CG1 3.4Å; L242-I245 PolarHBondContact O-N 3.44Å; K243-I245 VanDerWaalsContact C-N 3.34Å; I245-P247 VanDerWaalsContact C-CD 3.5Å; I245-Q248 WeakPolarHBondContact O-CA 3.42Å; I245-Q248 WeakPolarHBondContact O-CB 3.37Å; I245-Q248 PolarHBondContact O-N 3.33Å; I245-L249 HydrophobicContact CG2-CD1 3.86Å; I245-L249 HydrophobicContact CG2-CD2 4.34Å; I245-L249 HydrophobicContact CG2-CG 3.83Å; I245-L249 PolarHBondContact O-N 2.9Å |
| 246 | L | 88.6 | Confident | 87.5 | Confident | 20 Ų | 20 | 66 Ų | 66 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -49.6 | -46.2 | 179.3 | -74.3 | 168.3 | 0 | 0 | 0 | 113.6 | M214 M238 L242 Q248 L249 M250 L261 F264 | M214-L246 HydrophobicContact CE-CD2 4.34Å; M238-L246 HydrophobicContact CE-CD1 4.49Å; M238-L246 HydrophobicContact SD-CD1 4Å; L242-L246 HydrophobicContact CD1-CD2 4.06Å; L242-L246 HydrophobicContact CD1-CG 3.95Å; L242-L246 HydrophobicContact CD2-CD1 4.49Å; L242-L246 HydrophobicContact CG-CD1 4Å; L242-L246 HydrophobicContact CG-CD2 4.38Å; L242-L246 HydrophobicContact CG-CG 3.95Å; L242-L246 WeakPolarHBondContact O-CG 3.42Å; L242-L246 PolarHBondContact O-N 2.96Å; L246-Q248 PolarHBondContact O-N 2.74Å; L246-L249 PolarHBondContact O-N 3.46Å; L246-M250 WeakPolarHBondContact O-CG 3.31Å; L246-M250 PolarHBondContact O-N 3.39Å; L246-L261 HydrophobicContact CD2-CD2 3.71Å; L246-F264 HydrophobicContact CD1-CE1 4Å |
| 247 | P | 87.6 | Confident | 87.6 | Confident | 79 Ų | 79 | 64.8 Ų | 64.8 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.1 | -27.7 | 177.3 | -21.4 | 34.2 | 0 | 0 | 0 | 113.6 | K243 I245 | K243-P247 WeakPolarHBondContact O-CD 3.35Å; I245-P247 VanDerWaalsContact C-CD 3.5Å |
| 248 | Q | 88.8 | Confident | 87.6 | Confident | 117 Ų | 117 | 68.2 Ų | 68.2 | 55% | 0.547 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -75.9 | -45.6 | 178.1 | -52 | 179.3 | 33.9 | 0 | 0 | 110 | E244 I245 L246 M250 T251 | E244-Q248 PolarHBondContact O-NE2 3.33Å; I245-Q248 WeakPolarHBondContact O-CA 3.42Å; I245-Q248 WeakPolarHBondContact O-CB 3.37Å; I245-Q248 PolarHBondContact O-N 3.33Å; L246-Q248 PolarHBondContact O-N 2.74Å; Q248-M250 VanDerWaalsContact C-N 3.29Å; Q248-M250 PolarHBondContact O-N 3.18Å; Q248-T251 PolarHBondContact O-N 3.35Å; Q248-T251 PolarHBondContact O-OG1 3.38Å |
| 249 | L | 88.5 | Confident | 87.6 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.8 | -38.6 | 176.8 | -63.9 | 174.4 | 0 | 0 | 0 | 112.1 | L202 Q210 I245 L246 T251 I252 L257 L261 | L202-L249 HydrophobicContact CB-CD1 4.41Å; L202-L249 HydrophobicContact CD1-CD1 4.28Å; L202-L249 HydrophobicContact CD2-CD1 4.11Å; Q210-L249 HydrophobicContact CB-CD2 4.48Å; Q210-L249 HydrophobicContact CG-CD2 4.39Å; I245-L249 HydrophobicContact CG2-CD1 3.86Å; I245-L249 HydrophobicContact CG2-CD2 4.34Å; I245-L249 HydrophobicContact CG2-CG 3.83Å; I245-L249 PolarHBondContact O-N 2.9Å; L246-L249 PolarHBondContact O-N 3.46Å; L249-T251 PolarHBondContact O-N 3.1Å; L249-T251 VanDerWaalsContact O-N 3.07Å; L249-I252 HydrophobicContact CD2-CD1 4.08Å; L249-I252 WeakPolarHBondContact O-CB 3.48Å; L249-I252 PolarHBondContact O-N 3.3Å; L249-L257 HydrophobicContact CB-CD2 4.38Å; L249-L257 HydrophobicContact CD2-CD2 4.29Å; L249-L261 HydrophobicContact CB-CD1 4Å; L249-L261 HydrophobicContact CB-CD2 4.14Å; L249-L261 HydrophobicContact CD1-CD2 4.17Å |
| 250 | M | 86 | Confident | 88 | Confident | 110 Ų | 110 | 62.5 Ų | 62.5 | 54% | 0.542 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -10.9 | 175.4 | -71.7 | 176.3 | 176.5 | 0 | 0 | 114.6 | L246 Q248 L261 | L246-M250 WeakPolarHBondContact O-CG 3.31Å; L246-M250 PolarHBondContact O-N 3.39Å; Q248-M250 VanDerWaalsContact C-N 3.29Å; Q248-M250 PolarHBondContact O-N 3.18Å; M250-L261 HydrophobicContact CG-CD1 4.14Å |
| 251 | T | 87.9 | Confident | 88.2 | Confident | 111 Ų | 111 | 61.5 Ų | 61.5 | 68% | 0.681 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -13.6 | 172.5 | 69.1 | 0 | 0 | 0 | 0 | 113.6 | Q248 L249 R253 | Q248-T251 PolarHBondContact O-N 3.35Å; Q248-T251 PolarHBondContact O-OG1 3.38Å; L249-T251 PolarHBondContact O-N 3.1Å; L249-T251 VanDerWaalsContact O-N 3.07Å; T251-R253 PolarHBondContact O-N 3.04Å |
| 252 | I | 88.9 | Confident | 88.3 | Confident | 43 Ų | 43 | 66.2 Ų | 66.2 | 22% | 0.221 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -85.9 | 108.5 | -176.1 | -55.3 | 178.7 | 0 | 0 | 0 | 108.9 | I207 L249 N254 L257 | I207-I252 HydrophobicContact CD1-CG2 4.16Å; I207-I252 HydrophobicContact CG1-CG2 4.32Å; L249-I252 HydrophobicContact CD2-CD1 4.08Å; L249-I252 WeakPolarHBondContact O-CB 3.48Å; L249-I252 PolarHBondContact O-N 3.3Å; I252-N254 PolarHBondContact O-N 3.44Å; I252-L257 HydrophobicContact CB-CD2 4.14Å; I252-L257 HydrophobicContact CG2-CD2 4.29Å |
| 253 | R | 82.8 | Confident | 88.2 | Confident | 246 Ų | 246 | 66.3 Ų | 66.3 | 93% | 0.928 | 32% | 0.321 | S | S | * | . | trans | -68.8 | 96.1 | 177.8 | -64.1 | -175.9 | -178.7 | -173.3 | -0.2 | 111.1 | T251 | T251-R253 PolarHBondContact O-N 3.04Š| ||
| 254 | N | 90.9 | Very high | 88.5 | Confident | 51 Ų | 51 | 61.4 Ų | 61.4 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | trans | -152.2 | 112.1 | 172.5 | -176.6 | -94.6 | 0 | 0 | 0 | 111.1 | I207 I252 A256 L257 D258 | I207-N254 HydrophobicContact CG2-CB 3.84Å; I252-N254 PolarHBondContact O-N 3.44Å; N254-A256 PolarHBondContact O-N 3.17Å; N254-A256 VanDerWaalsContact O-N 3.07Å; N254-A256 PolarHBondContact OD1-N 2.9Å; N254-L257 HydrophobicContact CB-CB 4.04Å; N254-L257 CarbonylContact O-C 3.59Å; N254-L257 WeakPolarHBondContact O-CA 3.38Å; N254-L257 WeakPolarHBondContact O-CB 3.21Å; N254-L257 PolarHBondContact O-N 2.84Å; N254-L257 PolarHBondContact OD1-N 2.99Å; N254-L257 VanDerWaalsContact OD1-N 3.15Å; N254-D258 PolarHBondContact N-OD2 2.98Å; N254-D258 VanDerWaalsContact O-CG 3.29Å; N254-D258 PolarHBondContact O-N 3.31Å; N254-D258 VanDerWaalsContact O-OD2 3.08Å | ||
| 255 | E | 87.8 | Confident | 88.5 | Confident | 155 Ų | 155 | 59.5 Ų | 59.5 | 72% | 0.724 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -51.2 | -39.1 | -174.8 | -178.9 | 175.4 | -161.2 | 0 | 0 | 114.1 | D258 I259 | E255-D258 PolarHBondContact N-OD2 2.85Å; E255-D258 PolarHBondContact O-N 3.35Å; E255-I259 HydrophobicContact CG-CD1 4.18Å; E255-I259 WeakPolarHBondContact O-CB 3.32Å; E255-I259 WeakPolarHBondContact O-CD1 3.49Å; E255-I259 WeakPolarHBondContact O-CG1 3.35Å; E255-I259 PolarHBondContact O-N 3.48Å |
| 256 | A | 87.1 | Confident | 88.4 | Confident | 17 Ų | 17 | 62.4 Ų | 62.4 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.6 | -36.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V211 N254 Q260 Q954 | V211-A256 HydrophobicContact CG1-CB 4.16Å; V211-A256 HydrophobicContact CG2-CB 4.22Å; N254-A256 PolarHBondContact O-N 3.17Å; N254-A256 VanDerWaalsContact O-N 3.07Å; N254-A256 PolarHBondContact OD1-N 2.9Å; A256-Q260 WeakPolarHBondContact O-CG 3.25Å; A256-Q260 PolarHBondContact O-N 2.73Å; A256-Q954 HydrophobicContact CB-CG 4.49Å; A256-Q954 VanDerWaalsContact CB-NE2 3.28Å |
| 257 | L | 90.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.5 | -43.8 | 173 | -172.6 | 61.7 | 0 | 0 | 0 | 110.8 | Q210 V211 M214 L249 I252 N254 I259 Q260 L261 | Q210-L257 HydrophobicContact CB-CD1 4.44Å; V211-L257 HydrophobicContact CG2-CB 3.76Å; V211-L257 HydrophobicContact CG2-CD1 4.19Å; M214-L257 HydrophobicContact CB-CD1 4.38Å; L249-L257 HydrophobicContact CB-CD2 4.38Å; L249-L257 HydrophobicContact CD2-CD2 4.29Å; I252-L257 HydrophobicContact CB-CD2 4.14Å; I252-L257 HydrophobicContact CG2-CD2 4.29Å; N254-L257 HydrophobicContact CB-CB 4.04Å; N254-L257 CarbonylContact O-C 3.59Å; N254-L257 WeakPolarHBondContact O-CA 3.38Å; N254-L257 WeakPolarHBondContact O-CB 3.21Å; N254-L257 PolarHBondContact O-N 2.84Å; N254-L257 PolarHBondContact OD1-N 2.99Å; N254-L257 VanDerWaalsContact OD1-N 3.15Å; L257-I259 VanDerWaalsContact C-N 3.26Å; L257-I259 PolarHBondContact O-N 2.74Å; L257-Q260 PolarHBondContact O-N 2.82Å; L257-L261 HydrophobicContact CD1-CG 4.39Å; L257-L261 HydrophobicContact CG-CD1 3.99Å; L257-L261 HydrophobicContact CG-CG 4.26Å; L257-L261 WeakPolarHBondContact O-CG 3.5Å; L257-L261 PolarHBondContact O-N 3.37Å |
| 258 | D | 89.4 | Confident | 88.2 | Confident | 72 Ų | 72 | 60.6 Ų | 60.6 | 39% | 0.385 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.9 | -40.4 | 175.7 | -63.6 | -43.3 | 0 | 0 | 0 | 111 | N254 E255 K262 | N254-D258 PolarHBondContact N-OD2 2.98Å; N254-D258 VanDerWaalsContact O-CG 3.29Å; N254-D258 PolarHBondContact O-N 3.31Å; N254-D258 VanDerWaalsContact O-OD2 3.08Å; E255-D258 PolarHBondContact N-OD2 2.85Å; E255-D258 PolarHBondContact O-N 3.35Å; D258-K262 WeakPolarHBondContact O-CB 3.26Å; D258-K262 PolarHBondContact O-N 3.2Å |
| 259 | I | 89 | Confident | 87.8 | Confident | 35 Ų | 35 | 59.5 Ų | 59.5 | 18% | 0.179 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.2 | -47 | 172.5 | -74.7 | 164.8 | 0 | 0 | 0 | 111.7 | E255 L257 K262 V263 | E255-I259 HydrophobicContact CG-CD1 4.18Å; E255-I259 WeakPolarHBondContact O-CB 3.32Å; E255-I259 WeakPolarHBondContact O-CD1 3.49Å; E255-I259 WeakPolarHBondContact O-CG1 3.35Å; E255-I259 PolarHBondContact O-N 3.48Å; L257-I259 VanDerWaalsContact C-N 3.26Å; L257-I259 PolarHBondContact O-N 2.74Å; I259-K262 PolarHBondContact O-N 2.91Å; I259-V263 WeakPolarHBondContact O-CG2 3.39Å; I259-V263 PolarHBondContact O-N 2.82Å |
| 260 | Q | 91.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.2 | -41.4 | -178.4 | -61.1 | -49.3 | -50.5 | 0 | 0 | 113 | V211 M214 Q215 N218 A256 L257 K262 V263 F264 L953 F959 | V211-Q260 HydrophobicContact CG1-CG 4.34Å; M214-Q260 HydrophobicContact CB-CB 3.87Å; M214-Q260 HydrophobicContact CB-CG 4.39Å; M214-Q260 HydrophobicContact CG-CB 3.56Å; Q215-Q260 HydrophobicContact CG-CG 3.97Å; N218-Q260 PolarHBondContact ND2-O 3.36Å; N218-Q260 PolarHBondContact ND2-OE1 3.26Å; A256-Q260 WeakPolarHBondContact O-CG 3.25Å; A256-Q260 PolarHBondContact O-N 2.73Å; L257-Q260 PolarHBondContact O-N 2.82Å; Q260-K262 VanDerWaalsContact C-N 3.31Å; Q260-V263 PolarHBondContact O-N 3.12Å; Q260-F264 PolarHBondContact O-N 3.25Å; Q260-L953 PolarHBondContact NE2-O 2.99Å; Q260-F959 VanDerWaalsContact OE1-CE2 3.32Å |
| 261 | L | 91 | Very high | 87.4 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 174.5 | -69.3 | 173.3 | 0 | 0 | 0 | 110.5 | M214 L246 L249 M250 L257 F264 E265 | M214-L261 HydrophobicContact CE-CD2 4.32Å; M214-L261 HydrophobicContact SD-CD2 4.18Å; L246-L261 HydrophobicContact CD2-CD2 3.71Å; L249-L261 HydrophobicContact CB-CD1 4Å; L249-L261 HydrophobicContact CB-CD2 4.14Å; L249-L261 HydrophobicContact CD1-CD2 4.17Å; M250-L261 HydrophobicContact CG-CD1 4.14Å; L257-L261 HydrophobicContact CD1-CG 4.39Å; L257-L261 HydrophobicContact CG-CD1 3.99Å; L257-L261 HydrophobicContact CG-CG 4.26Å; L257-L261 WeakPolarHBondContact O-CG 3.5Å; L257-L261 PolarHBondContact O-N 3.37Å; L261-F264 PolarHBondContact O-N 3.14Å; L261-E265 PolarHBondContact O-N 3.02Å |
| 262 | K | 88.9 | Confident | 87 | Confident | 111 Ų | 111 | 56.5 Ų | 56.5 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 175.5 | 179.8 | 172.1 | 165.8 | 170.4 | 0 | 112.2 | D258 I259 Q260 F264 E265 E266 | D258-K262 WeakPolarHBondContact O-CB 3.26Å; D258-K262 PolarHBondContact O-N 3.2Å; I259-K262 PolarHBondContact O-N 2.91Å; Q260-K262 VanDerWaalsContact C-N 3.31Å; K262-F264 VanDerWaalsContact C-N 3.33Å; K262-F264 PolarHBondContact O-N 3.05Å; K262-E265 PolarHBondContact O-N 3.34Å; K262-E266 WeakPolarHBondContact CE-OE1 3.48Å; K262-E266 VanDerWaalsContact CE-OE2 3.26Å; K262-E266 WeakPolarHBondContact CE-OE2 3.36Å; K262-E266 HydrophobicContact CG-CG 4.05Å; K262-E266 IonicContact NZ-OE1 3.17Å; K262-E266 PolarHBondContact NZ-OE1 3.35Å; K262-E266 WeakPolarHBondContact O-CB 3.43Å; K262-E266 VanDerWaalsContact O-CG 3.26Å; K262-E266 WeakPolarHBondContact O-CG 3.5Å; K262-E266 PolarHBondContact O-N 3.11Å |
| 263 | V | 87.8 | Confident | 86.5 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 174.3 | 160.8 | 0 | 0 | 0 | 0 | 111.3 | N218 I259 Q260 E265 E266 H267 F959 R960 | N218-V263 HydrophobicContact CB-CG1 4.34Å; I259-V263 WeakPolarHBondContact O-CG2 3.39Å; I259-V263 PolarHBondContact O-N 2.82Å; Q260-V263 PolarHBondContact O-N 3.12Å; V263-E265 VanDerWaalsContact C-N 3.35Å; V263-E265 PolarHBondContact O-N 3.32Å; V263-E266 PolarHBondContact O-N 3Å; V263-H267 WeakPolarHBondContact O-CB 3.43Å; V263-H267 PolarHBondContact O-CD2 2.94Å; V263-H267 PolarHBondContact O-N 3.4Å; V263-F959 HydrophobicContact CB-CB 4.48Å; V263-F959 HydrophobicContact CG1-CB 3.46Å; V263-F959 VanDerWaalsContact CG1-CB 3.46Å; V263-F959 HydrophobicContact CG1-CD2 3.87Å; V263-F959 HydrophobicContact CG1-CG 3.78Å; V263-F959 HydrophobicContact CG2-CB 4.15Å; V263-F959 HydrophobicContact CG2-CD2 4.48Å; V263-R960 HydrophobicContact CG2-CG 4.21Å |
| 264 | F | 90.4 | Very high | 86.4 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 2% | 0.022 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 177.8 | -175.5 | -96.7 | 0 | 0 | 0 | 112 | M214 I217 N218 R234 L242 L246 Q260 L261 K262 K268 | M214-F264 HydrophobicContact CE-CB 3.42Å; M214-F264 VanDerWaalsContact CE-CB 3.42Å; M214-F264 HydrophobicContact CE-CD1 4.1Å; M214-F264 HydrophobicContact CE-CD2 3.56Å; M214-F264 HydrophobicContact CE-CE2 4.31Å; M214-F264 HydrophobicContact CE-CG 3.42Å; M214-F264 VanDerWaalsContact CE-CG 3.42Å; I217-F264 HydrophobicContact CG2-CD2 4.01Å; I217-F264 HydrophobicContact CG2-CE2 3.8Å; N218-F264 WeakPolarHBondContact OD1-CB 3.48Å; R234-F264 HydrophobicContact CG-CE2 4.19Å; R234-F264 HydrophobicContact CG-CZ 3.89Å; L242-F264 HydrophobicContact CD2-CE2 4.2Å; L242-F264 HydrophobicContact CD2-CZ 3.87Å; L246-F264 HydrophobicContact CD1-CE1 4Å; Q260-F264 PolarHBondContact O-N 3.25Å; L261-F264 PolarHBondContact O-N 3.14Å; K262-F264 VanDerWaalsContact C-N 3.33Å; K262-F264 PolarHBondContact O-N 3.05Å; F264-K268 WeakPolarHBondContact O-CB 3.29Å; F264-K268 PolarHBondContact O-N 3.25Å |
| 265 | E | 87.1 | Confident | 86 | Confident | 61 Ų | 61 | 51.1 Ų | 51.1 | 29% | 0.285 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70.3 | -44.2 | 179.3 | -162.7 | 69.3 | -179 | 0 | 0 | 111.9 | L261 K262 V263 H267 K268 E269 | L261-E265 PolarHBondContact O-N 3.02Å; K262-E265 PolarHBondContact O-N 3.34Å; V263-E265 VanDerWaalsContact C-N 3.35Å; V263-E265 PolarHBondContact O-N 3.32Å; E265-H267 PolarHBondContact O-N 3.2Å; E265-K268 PolarHBondContact O-N 3.46Å; E265-K268 IonicContact OE1-NZ 3.68Å; E265-K268 PolarHBondContact OE1-NZ 2.83Å; E265-K268 WeakPolarHBondContact OE2-CE 3.5Å; E265-K268 IonicContact OE2-NZ 2.73Å; E265-K268 PolarHBondContact OE2-NZ 3.05Å; E265-E269 PolarHBondContact O-N 3.23Å |
| 266 | E | 85.8 | Confident | 85.4 | Confident | 63 Ų | 63 | 45.9 Ų | 45.9 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56 | -50 | 174.6 | -74.5 | 178.2 | 135.6 | 0 | 0 | 110.7 | K262 V263 K268 E269 E270 R960 | K262-E266 WeakPolarHBondContact CE-OE1 3.48Å; K262-E266 VanDerWaalsContact CE-OE2 3.26Å; K262-E266 WeakPolarHBondContact CE-OE2 3.36Å; K262-E266 HydrophobicContact CG-CG 4.05Å; K262-E266 IonicContact NZ-OE1 3.17Å; K262-E266 PolarHBondContact NZ-OE1 3.35Å; K262-E266 WeakPolarHBondContact O-CB 3.43Å; K262-E266 VanDerWaalsContact O-CG 3.26Å; K262-E266 WeakPolarHBondContact O-CG 3.5Å; K262-E266 PolarHBondContact O-N 3.11Å; V263-E266 PolarHBondContact O-N 3Å; E266-K268 VanDerWaalsContact C-N 3.34Å; E266-K268 PolarHBondContact O-N 3.15Å; E266-E269 PolarHBondContact O-N 2.71Å; E266-E270 WeakPolarHBondContact O-CG 3.45Å; E266-E270 PolarHBondContact O-N 3.2Å; E266-R960 IonicContact OE2-CZ 2.69Å; E266-R960 IonicContact OE2-NE 3.24Å; E266-R960 PolarHBondContact OE2-NE 2.97Å; E266-R960 VanDerWaalsContact OE2-NE 3.11Å; E266-R960 IonicContact OE2-NH2 2.84Å; E266-R960 PolarHBondContact OE2-NH2 3.49Å |
| 267 | H | 85.6 | Confident | 85 | Confident | 33 Ų | 33 | 50 Ų | 50 | 15% | 0.153 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.9 | -28.3 | 177.9 | -84.4 | -106.5 | 0 | 0 | 0 | 113.7 | T222 R234 V263 E265 D271 F959 | T222-H267 HydrophobicContact CG2-CB 3.97Å; T222-H267 VanDerWaalsContact CG2-ND1 3.32Å; T222-H267 WeakPolarHBondContact CG2-ND1 3.43Å; R234-H267 PolarHBondContact NH2-O 2.94Å; V263-H267 WeakPolarHBondContact O-CB 3.43Å; V263-H267 PolarHBondContact O-CD2 2.94Å; V263-H267 PolarHBondContact O-N 3.4Å; E265-H267 PolarHBondContact O-N 3.2Å; H267-D271 WeakPolarHBondContact O-CB 3.31Å; H267-D271 PolarHBondContact O-N 2.89Å; H267-F959 PolarHBondContact NE2-O 2.86Å |
| 268 | K | 86 | Confident | 84.5 | Confident | 28 Ų | 28 | 55 Ų | 55 | 12% | 0.122 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.8 | -38.3 | 175.5 | -171.7 | -161.3 | 83 | -169.7 | 0 | 111.6 | F264 E265 E266 M272 S345 | F264-K268 WeakPolarHBondContact O-CB 3.29Å; F264-K268 PolarHBondContact O-N 3.25Å; E265-K268 PolarHBondContact O-N 3.46Å; E265-K268 IonicContact OE1-NZ 3.68Å; E265-K268 PolarHBondContact OE1-NZ 2.83Å; E265-K268 WeakPolarHBondContact OE2-CE 3.5Å; E265-K268 IonicContact OE2-NZ 2.73Å; E265-K268 PolarHBondContact OE2-NZ 3.05Å; E266-K268 VanDerWaalsContact C-N 3.34Å; E266-K268 PolarHBondContact O-N 3.15Å; K268-M272 WeakPolarHBondContact O-CB 3.41Å; K268-M272 PolarHBondContact O-N 3.06Å; K268-M272 VanDerWaalsContact O-N 3.07Å; K268-S345 WeakPolarHBondContact CD-O 3.43Å; K268-S345 WeakPolarHBondContact CE-O 3.44Å |
| 269 | E | 81.8 | Confident | 84 | Confident | 95 Ų | 95 | 54 Ų | 54 | 44% | 0.444 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 170.8 | -73.1 | -173.3 | 176.8 | 0 | 0 | 111.5 | E265 E266 M272 M273 | E265-E269 PolarHBondContact O-N 3.23Å; E266-E269 PolarHBondContact O-N 2.71Å; E269-M272 PolarHBondContact O-N 3.01Å; E269-M273 HydrophobicContact CB-CE 4.02Å; E269-M273 VanDerWaalsContact O-CE 3.26Å; E269-M273 WeakPolarHBondContact O-CE 3.21Å; E269-M273 WeakPolarHBondContact O-CG 3.36Å; E269-M273 PolarHBondContact O-N 3.18Å |
| 270 | E | 79.9 | Confident | 83.4 | Confident | 87 Ų | 87 | 57.7 Ų | 57.7 | 41% | 0.407 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 175.8 | -73.5 | -176.2 | -170.2 | 0 | 0 | 112.6 | E266 M272 M273 E274 | E266-E270 WeakPolarHBondContact O-CG 3.45Å; E266-E270 PolarHBondContact O-N 3.2Å; E270-M272 VanDerWaalsContact C-N 3.34Å; E270-M272 PolarHBondContact O-N 2.92Å; E270-M273 PolarHBondContact O-N 3Å; E270-E274 PolarHBondContact O-N 3.31Å |
| 271 | D | 85 | Confident | 82.7 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63 | -37.8 | 174.8 | -79.6 | -21.6 | 0 | 0 | 0 | 112.7 | L227 R230 L231 R234 H267 E274 F275 | L227-D271 HydrophobicContact CD1-CB 3.71Å; L227-D271 WeakPolarHBondContact CD1-OD1 3.16Å; R230-D271 IonicContact CZ-OD1 2.69Å; R230-D271 IonicContact NE-OD1 3.71Å; R230-D271 PolarHBondContact NE-OD1 2.97Å; R230-D271 IonicContact NE-OD2 3.53Å; R230-D271 PolarHBondContact NE-OD2 3.15Å; R230-D271 IonicContact NH2-OD1 3.42Å; R230-D271 PolarHBondContact NH2-OD1 3.32Å; L231-D271 HydrophobicContact CD2-CB 4.27Å; R234-D271 IonicContact CZ-OD2 2.81Å; R234-D271 IonicContact NH1-OD2 3.66Å; R234-D271 PolarHBondContact NH1-OD2 2.94Å; R234-D271 IonicContact NH2-OD2 3.81Å; R234-D271 PolarHBondContact NH2-OD2 3.49Å; H267-D271 WeakPolarHBondContact O-CB 3.31Å; H267-D271 PolarHBondContact O-N 2.89Å; D271-E274 PolarHBondContact O-N 3.48Å; D271-F275 WeakPolarHBondContact O-CB 3.48Å; D271-F275 PolarHBondContact O-N 2.91Å |
| 272 | M | 80.4 | Confident | 82.2 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 34% | 0.335 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 174.8 | -175.2 | 179.4 | 67.1 | 0 | 0 | 111.7 | K268 E269 E270 S276 | K268-M272 WeakPolarHBondContact O-CB 3.41Å; K268-M272 PolarHBondContact O-N 3.06Å; K268-M272 VanDerWaalsContact O-N 3.07Å; E269-M272 PolarHBondContact O-N 3.01Å; E270-M272 VanDerWaalsContact C-N 3.34Å; E270-M272 PolarHBondContact O-N 2.92Å; M272-S276 WeakPolarHBondContact O-CB 3.35Å; M272-S276 PolarHBondContact O-N 3.38Å; M272-S276 PolarHBondContact O-OG 3.07Å |
| 273 | M | 77.4 | Confident | 81.7 | Confident | 92 Ų | 92 | 67 Ų | 67 | 45% | 0.453 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.2 | -45.1 | 173.2 | -78.7 | -179.4 | -89.8 | 0 | 0 | 111.6 | E269 E270 F275 S276 H277 | E269-M273 HydrophobicContact CB-CE 4.02Å; E269-M273 VanDerWaalsContact O-CE 3.26Å; E269-M273 WeakPolarHBondContact O-CE 3.21Å; E269-M273 WeakPolarHBondContact O-CG 3.36Å; E269-M273 PolarHBondContact O-N 3.18Å; E270-M273 PolarHBondContact O-N 3Å; M273-F275 PolarHBondContact O-N 2.98Å; M273-S276 PolarHBondContact O-N 3.36Å; M273-S276 PolarHBondContact O-OG 3.23Å; M273-H277 PolarHBondContact O-CD2 3.43Å; M273-H277 PolarHBondContact O-N 3.23Å |
| 274 | E | 81.5 | Confident | 81.1 | Confident | 74 Ų | 74 | 69.9 Ų | 69.9 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 175.7 | -161 | 179.9 | 137.1 | 0 | 0 | 111.4 | L227 R230 E270 D271 S276 H277 R278 | L227-E274 HydrophobicContact CD1-CB 4.34Å; L227-E274 HydrophobicContact CD2-CB 4.09Å; L227-E274 HydrophobicContact CD2-CG 4.04Å; R230-E274 IonicContact NH2-OE1 3.71Å; R230-E274 IonicContact NH2-OE2 2.66Å; R230-E274 PolarHBondContact NH2-OE2 3.37Å; E270-E274 PolarHBondContact O-N 3.31Å; D271-E274 PolarHBondContact O-N 3.48Å; E274-S276 PolarHBondContact O-N 3.11Å; E274-H277 PolarHBondContact O-N 2.78Å; E274-R278 PolarHBondContact O-N 3.47Å; E274-R278 VanDerWaalsContact O-N 3.11Å |
| 275 | F | 81.6 | Confident | 80.3 | Confident | 62 Ų | 62 | 77 Ų | 77 | 27% | 0.272 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 175.2 | -166.3 | -114.1 | 0 | 0 | 0 | 112.8 | L227 L231 D271 M273 R278 V341 L342 | L227-F275 HydrophobicContact CD2-CB 4.07Å; L227-F275 HydrophobicContact CD2-CD2 4.18Å; L231-F275 HydrophobicContact CD1-CD2 3.96Å; L231-F275 HydrophobicContact CD1-CE2 4.35Å; L231-F275 HydrophobicContact CD1-CG 4.43Å; D271-F275 WeakPolarHBondContact O-CB 3.48Å; D271-F275 PolarHBondContact O-N 2.91Å; M273-F275 PolarHBondContact O-N 2.98Å; F275-R278 PolarHBondContact O-N 3.48Å; F275-V341 HydrophobicContact CE1-CG1 4.34Å; F275-L342 HydrophobicContact CD1-CD2 3.77Å; F275-L342 HydrophobicContact CE1-CD2 3.82Å |
| 276 | S | 76.6 | Confident | 79.9 | Confident | 45 Ų | 45 | 76.4 Ų | 76.4 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.7 | -39.7 | 176.3 | 75.5 | 0 | 0 | 0 | 0 | 112.9 | M272 M273 E274 R278 L279 E280 | M272-S276 WeakPolarHBondContact O-CB 3.35Å; M272-S276 PolarHBondContact O-N 3.38Å; M272-S276 PolarHBondContact O-OG 3.07Å; M273-S276 PolarHBondContact O-N 3.36Å; M273-S276 PolarHBondContact O-OG 3.23Å; E274-S276 PolarHBondContact O-N 3.11Å; S276-R278 VanDerWaalsContact C-N 3.34Å; S276-R278 PolarHBondContact O-N 3.02Å; S276-L279 WeakPolarHBondContact O-CB 3.32Å; S276-L279 PolarHBondContact O-N 2.93Å; S276-L279 VanDerWaalsContact O-N 3.15Å; S276-E280 PolarHBondContact O-N 2.79Å |
| 277 | H | 77.8 | Confident | 79.5 | Confident | 104 Ų | 104 | 80.1 Ų | 80.1 | 48% | 0.481 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.5 | -34.4 | 175.4 | -76.6 | -50.2 | 0 | 0 | 0 | 112.1 | M273 E274 L279 E280 D281 | M273-H277 PolarHBondContact O-CD2 3.43Å; M273-H277 PolarHBondContact O-N 3.23Å; E274-H277 PolarHBondContact O-N 2.78Å; H277-L279 PolarHBondContact O-N 3.11Å; H277-E280 IonicContact CE1-OE2 2.65Å; H277-E280 PolarHBondContact CE1-OE2 3Å; H277-E280 IonicContact CG-OE2 2.67Å; H277-E280 IonicContact ND1-OE2 3.99Å; H277-E280 PolarHBondContact ND1-OE2 3.04Å; H277-E280 CarbonylContact O-C 3.52Å; H277-E280 WeakPolarHBondContact O-CA 3.26Å; H277-E280 WeakPolarHBondContact O-CB 3.32Å; H277-E280 PolarHBondContact O-N 3.46Å; H277-D281 PolarHBondContact O-N 2.83Å |
| 278 | R | 80.6 | Confident | 79.5 | Confident | 104 Ų | 104 | 82.5 Ų | 82.5 | 39% | 0.392 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.8 | -32 | 172.3 | -171 | -179.1 | -177.1 | 177.4 | 4.1 | 112.7 | D228 E274 F275 S276 I282 | D228-R278 IonicContact OD1-CZ 3.86Å; D228-R278 IonicContact OD1-NH1 3.98Å; D228-R278 PolarHBondContact OD1-NH1 2.77Å; D228-R278 IonicContact OD2-CZ 2.63Å; D228-R278 IonicContact OD2-NH1 3.69Å; D228-R278 PolarHBondContact OD2-NH1 2.93Å; D228-R278 IonicContact OD2-NH2 2.93Å; D228-R278 PolarHBondContact OD2-NH2 3Å; E274-R278 PolarHBondContact O-N 3.47Å; E274-R278 VanDerWaalsContact O-N 3.11Å; F275-R278 PolarHBondContact O-N 3.48Å; S276-R278 VanDerWaalsContact C-N 3.34Å; S276-R278 PolarHBondContact O-N 3.02Å; R278-I282 HydrophobicContact CG-CD1 4.28Å; R278-I282 WeakPolarHBondContact O-CB 3.4Å; R278-I282 WeakPolarHBondContact O-CD1 3.22Å; R278-I282 WeakPolarHBondContact O-CG1 3.2Å; R278-I282 PolarHBondContact O-N 2.89Å |
| 279 | L | 78.5 | Confident | 79.4 | Confident | 52 Ų | 52 | 86.9 Ų | 86.9 | 27% | 0.272 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -72.8 | -35.1 | 172.7 | -179.8 | 62.7 | 0 | 0 | 0 | 112.2 | S276 H277 R283 L342 | S276-L279 WeakPolarHBondContact O-CB 3.32Å; S276-L279 PolarHBondContact O-N 2.93Å; S276-L279 VanDerWaalsContact O-N 3.15Å; H277-L279 PolarHBondContact O-N 3.11Å; L279-R283 HydrophobicContact CD1-CG 4.46Å; L279-R283 WeakPolarHBondContact O-CB 3.36Å; L279-R283 WeakPolarHBondContact O-CD 3.48Å; L279-R283 WeakPolarHBondContact O-CG 3.42Å; L279-R283 PolarHBondContact O-N 3.04Å; L279-L342 HydrophobicContact CD2-CD1 3.9Å; L279-L342 HydrophobicContact CD2-CD2 4.46Å |
| 280 | E | 76.2 | Confident | 79.5 | Confident | 111 Ų | 111 | 84 Ų | 84 | 52% | 0.519 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 172.8 | -60.2 | -174.2 | 137.7 | 0 | 0 | 111.6 | S276 H277 R283 S284 | S276-E280 PolarHBondContact O-N 2.79Å; H277-E280 IonicContact CE1-OE2 2.65Å; H277-E280 PolarHBondContact CE1-OE2 3Å; H277-E280 IonicContact CG-OE2 2.67Å; H277-E280 IonicContact ND1-OE2 3.99Å; H277-E280 PolarHBondContact ND1-OE2 3.04Å; H277-E280 CarbonylContact O-C 3.52Å; H277-E280 WeakPolarHBondContact O-CA 3.26Å; H277-E280 WeakPolarHBondContact O-CB 3.32Å; H277-E280 PolarHBondContact O-N 3.46Å; E280-R283 PolarHBondContact O-N 2.87Å; E280-S284 WeakPolarHBondContact O-CB 3.26Å; E280-S284 PolarHBondContact O-N 3.25Å |
| 281 | D | 77.4 | Confident | 79.8 | Confident | 98 Ų | 98 | 84.5 Ų | 84.5 | 52% | 0.524 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.1 | -51 | 174.9 | -72.5 | -33.2 | 0 | 0 | 0 | 110.7 | H277 R283 S284 E285 | H277-D281 PolarHBondContact O-N 2.83Å; D281-R283 VanDerWaalsContact C-N 3.33Å; D281-R283 PolarHBondContact O-N 3.15Å; D281-S284 CarbonylContact O-C 3.6Å; D281-S284 WeakPolarHBondContact O-CA 3.45Å; D281-S284 WeakPolarHBondContact O-CB 3.47Å; D281-S284 PolarHBondContact O-N 3.35Å; D281-S284 PolarHBondContact O-OG 3.03Å; D281-E285 PolarHBondContact O-N 3.32Å |
| 282 | I | 80.3 | Confident | 79.9 | Confident | 77 Ų | 77 | 87.2 Ų | 87.2 | 40% | 0.395 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.3 | -45 | 175.7 | -71.2 | 164.3 | 0 | 0 | 0 | 111.4 | R278 S284 E285 I286 | R278-I282 HydrophobicContact CG-CD1 4.28Å; R278-I282 WeakPolarHBondContact O-CB 3.4Å; R278-I282 WeakPolarHBondContact O-CD1 3.22Å; R278-I282 WeakPolarHBondContact O-CG1 3.2Å; R278-I282 PolarHBondContact O-N 2.89Å; I282-S284 PolarHBondContact O-N 3.42Å; I282-E285 PolarHBondContact O-N 3.43Å; I282-I286 PolarHBondContact O-N 3.28Å |
| 283 | R | 78.7 | Confident | 80.3 | Confident | 144 Ų | 144 | 88.1 Ų | 88.1 | 54% | 0.543 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.8 | -16.2 | 175.5 | -76.1 | 170.3 | 168.4 | 179.6 | -5.3 | 113.5 | L279 E280 D281 D334 | L279-R283 HydrophobicContact CD1-CG 4.46Å; L279-R283 WeakPolarHBondContact O-CB 3.36Å; L279-R283 WeakPolarHBondContact O-CD 3.48Å; L279-R283 WeakPolarHBondContact O-CG 3.42Å; L279-R283 PolarHBondContact O-N 3.04Å; E280-R283 PolarHBondContact O-N 2.87Å; D281-R283 VanDerWaalsContact C-N 3.33Å; D281-R283 PolarHBondContact O-N 3.15Å; R283-D334 IonicContact NH2-OD1 2.71Å |
| 284 | S | 74.1 | Confident | 80.8 | Confident | 61 Ų | 61 | 87 Ų | 87 | 43% | 0.427 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -97.4 | -31.1 | 177.2 | 86.2 | 0 | 0 | 0 | 0 | 113.2 | E280 D281 I282 K908 | E280-S284 WeakPolarHBondContact O-CB 3.26Å; E280-S284 PolarHBondContact O-N 3.25Å; D281-S284 CarbonylContact O-C 3.6Å; D281-S284 WeakPolarHBondContact O-CA 3.45Å; D281-S284 WeakPolarHBondContact O-CB 3.47Å; D281-S284 PolarHBondContact O-N 3.35Å; D281-S284 PolarHBondContact O-OG 3.03Å; I282-S284 PolarHBondContact O-N 3.42Å; S284-K908 WeakPolarHBondContact O-CE 3.38Å; S284-K908 PolarHBondContact O-NZ 2.65Å |
| 285 | E | 74.1 | Confident | 81.1 | Confident | 153 Ų | 153 | 87.4 Ų | 87.4 | 72% | 0.715 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -82.2 | -39.9 | 178.5 | -68.9 | -164.5 | 150.8 | 0 | 0 | 112.2 | D281 I282 | D281-E285 PolarHBondContact O-N 3.32Å; I282-E285 PolarHBondContact O-N 3.43Å |
| 286 | I | 78.1 | Confident | 81.5 | Confident | 50 Ų | 50 | 86.9 Ų | 86.9 | 26% | 0.256 | 46% | 0.457 | S | S | . | . | trans | -119 | 105.9 | -175.4 | -41.4 | 179.8 | 0 | 0 | 0 | 110.1 | I282 D291 V292 I295 | I282-I286 PolarHBondContact O-N 3.28Å; I286-D291 HydrophobicContact CG2-CB 3.99Å; I286-V292 HydrophobicContact CB-CG2 4.17Å; I286-V292 HydrophobicContact CG2-CG2 3.58Å; I286-I295 HydrophobicContact CD1-CD1 3.6Å | ||
| 287 | D | 78.1 | Confident | 82.1 | Confident | 141 Ų | 141 | 87.9 Ų | 87.9 | 75% | 0.754 | 46% | 0.459 | S | S | * | . | trans | -107.1 | -7 | 178.4 | 55.6 | -4.6 | 0 | 0 | 0 | 114.4 | ||||
| 288 | D | 85.4 | Confident | 82.7 | Confident | 83 Ų | 83 | 87.5 Ų | 87.5 | 44% | 0.444 | 47% | 0.467 | S | S | . | . | trans | -91.2 | 136.2 | 171.1 | -175.2 | 67.3 | 0 | 0 | 0 | 113.5 | G290 D291 V292 | D288-G290 WeakPolarHBondContact OD2-CA 3.31Å; D288-G290 PolarHBondContact OD2-N 2.66Å; D288-D291 HydrophobicContact CB-CB 4.49Å; D288-D291 PolarHBondContact OD2-N 2.69Å; D288-D291 VanDerWaalsContact OD2-N 3.08Å; D288-V292 WeakPolarHBondContact O-CG2 3.47Å; D288-V292 PolarHBondContact O-N 2.78Å | ||
| 289 | V | 84.3 | Confident | 83.1 | Confident | 119 Ų | 119 | 89.2 Ų | 89.2 | 72% | 0.721 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -75.1 | -29.9 | -177 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | F293 | V289-F293 VanDerWaalsContact O-CB 3.26Å; V289-F293 WeakPolarHBondContact O-CB 3.38Å; V289-F293 PolarHBondContact O-N 3.2Å |
| 290 | G | 84.6 | Confident | 83.8 | Confident | 34 Ų | 34 | 87.8 Ų | 87.8 | 35% | 0.351 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.5 | -37.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D288 S294 | D288-G290 WeakPolarHBondContact OD2-CA 3.31Å; D288-G290 PolarHBondContact OD2-N 2.66Å; G290-S294 WeakPolarHBondContact O-CB 3.42Å; G290-S294 PolarHBondContact O-N 3.14Å; G290-S294 PolarHBondContact O-OG 3.11Å |
| 291 | D | 84.9 | Confident | 84.4 | Confident | 99 Ų | 99 | 87.6 Ų | 87.6 | 53% | 0.529 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.4 | -47 | 173.6 | -77 | -23.3 | 0 | 0 | 0 | 111.4 | I286 D288 F293 S294 I295 | I286-D291 HydrophobicContact CG2-CB 3.99Å; D288-D291 HydrophobicContact CB-CB 4.49Å; D288-D291 PolarHBondContact OD2-N 2.69Å; D288-D291 VanDerWaalsContact OD2-N 3.08Å; D291-F293 VanDerWaalsContact C-N 3.34Å; D291-F293 PolarHBondContact O-N 3.48Å; D291-S294 PolarHBondContact O-N 2.8Å; D291-S294 VanDerWaalsContact O-N 3.16Å; D291-I295 WeakPolarHBondContact O-CG1 3.44Å; D291-I295 PolarHBondContact O-N 2.97Å |
| 292 | V | 86.9 | Confident | 85.1 | Confident | 61 Ų | 61 | 89.4 Ų | 89.4 | 37% | 0.37 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57 | -46.8 | 173.1 | 176 | 0 | 0 | 0 | 0 | 111.1 | I286 D288 S294 I295 V296 | I286-V292 HydrophobicContact CB-CG2 4.17Å; I286-V292 HydrophobicContact CG2-CG2 3.58Å; D288-V292 WeakPolarHBondContact O-CG2 3.47Å; D288-V292 PolarHBondContact O-N 2.78Å; V292-S294 VanDerWaalsContact C-N 3.32Å; V292-S294 PolarHBondContact O-N 3Å; V292-I295 PolarHBondContact O-N 3.49Å; V292-V296 HydrophobicContact CG1-CG2 4.4Å; V292-V296 WeakPolarHBondContact O-CG2 3.43Å; V292-V296 PolarHBondContact O-N 3.32Å |
| 293 | F | 89.1 | Confident | 85.7 | Confident | 87 Ų | 87 | 88 Ų | 88 | 38% | 0.382 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 177 | 175.4 | -93.9 | 0 | 0 | 0 | 112.3 | V289 D291 V296 L297 F309 L313 | V289-F293 VanDerWaalsContact O-CB 3.26Å; V289-F293 WeakPolarHBondContact O-CB 3.38Å; V289-F293 PolarHBondContact O-N 3.2Å; D291-F293 VanDerWaalsContact C-N 3.34Å; D291-F293 PolarHBondContact O-N 3.48Å; F293-V296 PolarHBondContact O-N 3.28Å; F293-L297 HydrophobicContact CE1-CB 4.48Å; F293-L297 HydrophobicContact CE1-CD2 3.91Å; F293-L297 HydrophobicContact CZ-CD2 4.25Å; F293-L297 WeakPolarHBondContact O-CB 3.23Å; F293-L297 PolarHBondContact O-N 3.35Å; F293-F309 HydrophobicContact CD2-CZ 4.2Å; F293-F309 HydrophobicContact CE2-CE1 4.07Å; F293-F309 AromaticContact CE2-CZ 3.99Å; F293-F309 HydrophobicContact CE2-CZ 3.99Å; F293-L313 HydrophobicContact CE2-CD1 3.81Å; F293-L313 HydrophobicContact CE2-CD2 4.11Å; F293-L313 HydrophobicContact CZ-CD1 4.38Å |
| 294 | S | 87.7 | Confident | 86.2 | Confident | 68 Ų | 68 | 86.4 Ų | 86.4 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | -179.2 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | G290 D291 V292 S298 | G290-S294 WeakPolarHBondContact O-CB 3.42Å; G290-S294 PolarHBondContact O-N 3.14Å; G290-S294 PolarHBondContact O-OG 3.11Å; D291-S294 PolarHBondContact O-N 2.8Å; D291-S294 VanDerWaalsContact O-N 3.16Å; V292-S294 VanDerWaalsContact C-N 3.32Å; V292-S294 PolarHBondContact O-N 3Å; S294-S298 WeakPolarHBondContact O-CB 3.48Å; S294-S298 PolarHBondContact O-N 3.05Å |
| 295 | I | 87.8 | Confident | 86.9 | Confident | 83 Ų | 83 | 85.4 Ų | 85.4 | 43% | 0.426 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.5 | -52.6 | 174.7 | -67 | 163.6 | 0 | 0 | 0 | 110.3 | I286 D291 V292 L297 S298 M299 | I286-I295 HydrophobicContact CD1-CD1 3.6Å; D291-I295 WeakPolarHBondContact O-CG1 3.44Å; D291-I295 PolarHBondContact O-N 2.97Å; V292-I295 PolarHBondContact O-N 3.49Å; I295-L297 VanDerWaalsContact C-N 3.33Å; I295-L297 PolarHBondContact O-N 3.2Å; I295-S298 CarbonylContact O-C 2.93Å; I295-S298 WeakPolarHBondContact O-CA 3.45Å; I295-S298 WeakPolarHBondContact O-CB 3.46Å; I295-S298 PolarHBondContact O-N 2.88Å; I295-M299 HydrophobicContact CG2-SD 4.09Å; I295-M299 WeakPolarHBondContact O-CG 3.33Å; I295-M299 PolarHBondContact O-N 3.45Å |
| 296 | V | 89.6 | Confident | 87.7 | Confident | 50 Ų | 50 | 81.8 Ų | 81.8 | 30% | 0.303 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | -179.3 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | V292 F293 S298 M299 V300 F309 | V292-V296 HydrophobicContact CG1-CG2 4.4Å; V292-V296 WeakPolarHBondContact O-CG2 3.43Å; V292-V296 PolarHBondContact O-N 3.32Å; F293-V296 PolarHBondContact O-N 3.28Å; V296-S298 VanDerWaalsContact C-N 3.33Å; V296-S298 PolarHBondContact O-N 3.06Å; V296-M299 WeakPolarHBondContact O-CB 3.38Å; V296-M299 PolarHBondContact O-N 3.28Å; V296-M299 VanDerWaalsContact O-N 3.13Å; V296-V300 PolarHBondContact O-N 3.49Å; V296-V300 VanDerWaalsContact O-N 3.15Å; V296-F309 HydrophobicContact CB-CZ 4.41Å; V296-F309 HydrophobicContact CG1-CD2 4.19Å; V296-F309 HydrophobicContact CG1-CE2 3.53Å; V296-F309 HydrophobicContact CG1-CZ 3.74Å |
| 297 | L | 90.3 | Very high | 88.2 | Confident | 67 Ų | 67 | 83.5 Ų | 83.5 | 35% | 0.351 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 173.4 | 179.4 | 60.3 | 0 | 0 | 0 | 111.2 | F293 I295 M299 V300 K301 F309 | F293-L297 HydrophobicContact CE1-CB 4.48Å; F293-L297 HydrophobicContact CE1-CD2 3.91Å; F293-L297 HydrophobicContact CZ-CD2 4.25Å; F293-L297 WeakPolarHBondContact O-CB 3.23Å; F293-L297 PolarHBondContact O-N 3.35Å; I295-L297 VanDerWaalsContact C-N 3.33Å; I295-L297 PolarHBondContact O-N 3.2Å; L297-M299 PolarHBondContact O-N 3.32Å; L297-V300 PolarHBondContact O-N 3Å; L297-K301 VanDerWaalsContact O-CB 3.24Å; L297-K301 WeakPolarHBondContact O-CB 3.35Å; L297-K301 PolarHBondContact O-N 2.85Å; L297-F309 HydrophobicContact CB-CE1 4.32Å; L297-F309 HydrophobicContact CD1-CD1 4.4Å; L297-F309 HydrophobicContact CD1-CE1 4.16Å |
| 298 | S | 90.9 | Very high | 88.7 | Confident | 95 Ų | 95 | 85 Ų | 85 | 66% | 0.664 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.7 | -18.8 | 176.9 | -167.2 | 0 | 0 | 0 | 0 | 114.1 | S294 I295 V296 | S294-S298 WeakPolarHBondContact O-CB 3.48Å; S294-S298 PolarHBondContact O-N 3.05Å; I295-S298 CarbonylContact O-C 2.93Å; I295-S298 WeakPolarHBondContact O-CA 3.45Å; I295-S298 WeakPolarHBondContact O-CB 3.46Å; I295-S298 PolarHBondContact O-N 2.88Å; V296-S298 VanDerWaalsContact C-N 3.33Å; V296-S298 PolarHBondContact O-N 3.06Å |
| 299 | M | 89.1 | Confident | 89 | Confident | 141 Ų | 141 | 82.8 Ų | 82.8 | 70% | 0.695 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -82.6 | -33.3 | 174.1 | -68.2 | 169.6 | 65.8 | 0 | 0 | 112.8 | I295 V296 L297 | I295-M299 HydrophobicContact CG2-SD 4.09Å; I295-M299 WeakPolarHBondContact O-CG 3.33Å; I295-M299 PolarHBondContact O-N 3.45Å; V296-M299 WeakPolarHBondContact O-CB 3.38Å; V296-M299 PolarHBondContact O-N 3.28Å; V296-M299 VanDerWaalsContact O-N 3.13Å; L297-M299 PolarHBondContact O-N 3.32Å |
| 300 | V | 92.9 | Very high | 89.2 | Confident | 22 Ų | 22 | 81.6 Ų | 81.6 | 13% | 0.133 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -95.7 | -21 | -178 | -57.1 | 0 | 0 | 0 | 0 | 114 | V296 L297 S303 A305 E306 F309 | V296-V300 PolarHBondContact O-N 3.49Å; V296-V300 VanDerWaalsContact O-N 3.15Å; L297-V300 PolarHBondContact O-N 3Å; V300-S303 VanDerWaalsContact O-CB 3.31Å; V300-S303 WeakPolarHBondContact O-CB 3.36Å; V300-S303 PolarHBondContact O-N 3.25Å; V300-S303 PolarHBondContact O-OG 3.49Å; V300-A305 HydrophobicContact CB-CB 4.26Å; V300-A305 HydrophobicContact CG1-CB 4.2Å; V300-E306 WeakPolarHBondContact O-CB 3.34Å; V300-F309 HydrophobicContact CB-CB 4.39Å; V300-F309 HydrophobicContact CG1-CB 4.37Å; V300-F309 HydrophobicContact CG2-CB 3.87Å; V300-F309 HydrophobicContact CG2-CD1 3.57Å; V300-F309 HydrophobicContact CG2-CE1 4.26Å; V300-F309 HydrophobicContact CG2-CG 3.83Å |
| 301 | K | 89.3 | Confident | 89.6 | Confident | 107 Ų | 107 | 82 Ų | 82 | 47% | 0.465 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 142.7 | -178 | -173.7 | -169.5 | 175 | -63 | 0 | 111.8 | L297 S303 E306 | L297-K301 VanDerWaalsContact O-CB 3.24Å; L297-K301 WeakPolarHBondContact O-CB 3.35Å; L297-K301 PolarHBondContact O-N 2.85Å; K301-S303 PolarHBondContact O-N 3.44Å; K301-S303 VanDerWaalsContact O-N 3.16Å; K301-E306 WeakPolarHBondContact CA-OE2 3.5Å |
| 302 | D | 90.5 | Very high | 90 | Very high | 135 Ų | 135 | 81.8 Ų | 81.8 | 72% | 0.722 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 15.6 | -177.9 | -48.1 | -50.8 | 0 | 0 | 0 | 113.5 | E306 | D302-E306 PolarHBondContact N-OE2 3.47Š|
| 303 | S | 93.4 | Very high | 90.2 | Very high | 47 Ų | 47 | 81.5 Ų | 81.5 | 33% | 0.329 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -115 | 166.8 | 179.2 | 87.3 | 0 | 0 | 0 | 0 | 112.7 | V300 K301 A305 E306 | V300-S303 VanDerWaalsContact O-CB 3.31Å; V300-S303 WeakPolarHBondContact O-CB 3.36Å; V300-S303 PolarHBondContact O-N 3.25Å; V300-S303 PolarHBondContact O-OG 3.49Å; K301-S303 PolarHBondContact O-N 3.44Å; K301-S303 VanDerWaalsContact O-N 3.16Å; S303-A305 PolarHBondContact O-N 3.08Å; S303-A305 VanDerWaalsContact O-N 3.14Å; S303-A305 WeakPolarHBondContact OG-CB 3.44Å; S303-A305 PolarHBondContact OG-N 3.06Å; S303-A305 VanDerWaalsContact OG-N 3.1Å; S303-E306 PolarHBondContact O-N 3.3Å |
| 304 | S | 90.3 | Very high | 90.2 | Very high | 112 Ų | 112 | 82.6 Ų | 82.6 | 78% | 0.783 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -11.5 | 173.1 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | Y308 | S304-Y308 WeakPolarHBondContact O-CD2 3.47Å; S304-Y308 WeakPolarHBondContact O-CE2 3.42Å |
| 305 | A | 88.7 | Confident | 90.3 | Very high | 40 Ų | 40 | 85.1 Ų | 85.1 | 33% | 0.331 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -21.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V300 S303 Y308 F309 | V300-A305 HydrophobicContact CB-CB 4.26Å; V300-A305 HydrophobicContact CG1-CB 4.2Å; S303-A305 PolarHBondContact O-N 3.08Å; S303-A305 VanDerWaalsContact O-N 3.14Å; S303-A305 WeakPolarHBondContact OG-CB 3.44Å; S303-A305 PolarHBondContact OG-N 3.06Å; S303-A305 VanDerWaalsContact OG-N 3.1Å; A305-Y308 PolarHBondContact O-N 3.09Å; A305-F309 PolarHBondContact O-N 3.12Å |
| 306 | E | 89.4 | Confident | 90.4 | Very high | 77 Ų | 77 | 83.4 Ų | 83.4 | 36% | 0.36 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -54.1 | -45.1 | -173.3 | -159.8 | -178.1 | 143.4 | 0 | 0 | 114 | V300 K301 D302 S303 Y308 F309 L310 | V300-E306 WeakPolarHBondContact O-CB 3.34Å; K301-E306 WeakPolarHBondContact CA-OE2 3.5Å; D302-E306 PolarHBondContact N-OE2 3.47Å; S303-E306 PolarHBondContact O-N 3.3Å; E306-Y308 VanDerWaalsContact C-N 3.26Å; E306-Y308 PolarHBondContact O-N 3.07Å; E306-F309 PolarHBondContact O-N 3.48Å; E306-L310 PolarHBondContact O-N 2.89Å |
| 307 | P | 88.8 | Confident | 90.2 | Very high | 85 Ų | 85 | 88.6 Ų | 88.6 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.9 | -30.4 | 179.5 | -20.8 | 34.4 | 0 | 0 | 0 | 113.1 | S311 | P307-S311 VanDerWaalsContact O-CB 3.31Å; P307-S311 WeakPolarHBondContact O-CB 3.15Å; P307-S311 PolarHBondContact O-N 3.34Å |
| 308 | Y | 89.2 | Confident | 90.1 | Very high | 173 Ų | 173 | 91.9 Ų | 91.9 | 68% | 0.678 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -76.2 | -39.6 | 178.2 | -58.6 | -82.4 | 0 | 0 | 0 | 111.2 | S304 A305 E306 S311 I312 | S304-Y308 WeakPolarHBondContact O-CD2 3.47Å; S304-Y308 WeakPolarHBondContact O-CE2 3.42Å; A305-Y308 PolarHBondContact O-N 3.09Å; E306-Y308 VanDerWaalsContact C-N 3.26Å; E306-Y308 PolarHBondContact O-N 3.07Å; Y308-S311 WeakPolarHBondContact O-CB 3.43Å; Y308-S311 PolarHBondContact O-N 3.49Å; Y308-I312 VanDerWaalsContact O-CG1 3.31Å; Y308-I312 WeakPolarHBondContact O-CG1 3.2Å; Y308-I312 PolarHBondContact O-N 3.33Å |
| 309 | F | 91.9 | Very high | 89.9 | Confident | 36 Ų | 36 | 88.4 Ų | 88.4 | 16% | 0.158 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 173.2 | -177 | -116.6 | 0 | 0 | 0 | 111.6 | F293 V296 L297 V300 A305 E306 S311 I312 L313 | F293-F309 HydrophobicContact CD2-CZ 4.2Å; F293-F309 HydrophobicContact CE2-CE1 4.07Å; F293-F309 AromaticContact CE2-CZ 3.99Å; F293-F309 HydrophobicContact CE2-CZ 3.99Å; V296-F309 HydrophobicContact CB-CZ 4.41Å; V296-F309 HydrophobicContact CG1-CD2 4.19Å; V296-F309 HydrophobicContact CG1-CE2 3.53Å; V296-F309 HydrophobicContact CG1-CZ 3.74Å; L297-F309 HydrophobicContact CB-CE1 4.32Å; L297-F309 HydrophobicContact CD1-CD1 4.4Å; L297-F309 HydrophobicContact CD1-CE1 4.16Å; V300-F309 HydrophobicContact CB-CB 4.39Å; V300-F309 HydrophobicContact CG1-CB 4.37Å; V300-F309 HydrophobicContact CG2-CB 3.87Å; V300-F309 HydrophobicContact CG2-CD1 3.57Å; V300-F309 HydrophobicContact CG2-CE1 4.26Å; V300-F309 HydrophobicContact CG2-CG 3.83Å; A305-F309 PolarHBondContact O-N 3.12Å; E306-F309 PolarHBondContact O-N 3.48Å; F309-S311 VanDerWaalsContact C-N 3.31Å; F309-S311 PolarHBondContact O-N 3.41Å; F309-I312 PolarHBondContact O-N 3.2Å; F309-L313 HydrophobicContact CD1-CD1 4Å; F309-L313 HydrophobicContact CE1-CD1 3.71Å; F309-L313 HydrophobicContact CE1-CG 4.5Å; F309-L313 HydrophobicContact CZ-CD1 4.02Å; F309-L313 HydrophobicContact CZ-CD2 4.37Å; F309-L313 HydrophobicContact CZ-CG 4.4Å; F309-L313 WeakPolarHBondContact O-CG 3.32Å; F309-L313 PolarHBondContact O-N 2.84Å; F309-L313 VanDerWaalsContact O-N 3.07Å |
| 310 | L | 89.1 | Confident | 89.5 | Confident | 94 Ų | 94 | 91.1 Ų | 91.1 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57.3 | -44 | 173.1 | 177.5 | 60 | 0 | 0 | 0 | 111.8 | E306 L313 Q314 | E306-L310 PolarHBondContact O-N 2.89Å; L310-L313 PolarHBondContact O-N 3.33Å; L310-Q314 HydrophobicContact CD1-CG 4.47Å; L310-Q314 VanDerWaalsContact O-CG 3.29Å; L310-Q314 WeakPolarHBondContact O-CG 3.26Å; L310-Q314 PolarHBondContact O-N 3.31Å |
| 311 | S | 91.8 | Very high | 88.7 | Confident | 42 Ų | 42 | 95.6 Ų | 95.6 | 29% | 0.294 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 175.8 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | P307 Y308 F309 L313 Q314 H315 | P307-S311 VanDerWaalsContact O-CB 3.31Å; P307-S311 WeakPolarHBondContact O-CB 3.15Å; P307-S311 PolarHBondContact O-N 3.34Å; Y308-S311 WeakPolarHBondContact O-CB 3.43Å; Y308-S311 PolarHBondContact O-N 3.49Å; F309-S311 VanDerWaalsContact C-N 3.31Å; F309-S311 PolarHBondContact O-N 3.41Å; S311-L313 PolarHBondContact O-N 3Å; S311-Q314 WeakPolarHBondContact O-CB 3.32Å; S311-Q314 PolarHBondContact O-N 3.47Å; S311-H315 PolarHBondContact O-N 3.48Å; S311-H315 PolarHBondContact O-ND1 3.15Å; S311-H315 PolarHBondContact OG-CE1 3.05Å; S311-H315 PolarHBondContact OG-ND1 3.04Å |
| 312 | I | 92.4 | Very high | 88.5 | Confident | 96 Ų | 96 | 93.2 Ų | 93.2 | 49% | 0.492 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 176.6 | -70.7 | 161.7 | 0 | 0 | 0 | 110.5 | Y308 F309 Q314 H315 L316 | Y308-I312 VanDerWaalsContact O-CG1 3.31Å; Y308-I312 WeakPolarHBondContact O-CG1 3.2Å; Y308-I312 PolarHBondContact O-N 3.33Å; F309-I312 PolarHBondContact O-N 3.2Å; I312-Q314 VanDerWaalsContact C-N 3.31Å; I312-Q314 PolarHBondContact O-N 3.05Å; I312-H315 PolarHBondContact O-N 2.73Å; I312-H315 VanDerWaalsContact O-N 3.14Å; I312-L316 HydrophobicContact CG2-CD1 4.37Å; I312-L316 WeakPolarHBondContact O-CG 3.46Å; I312-L316 PolarHBondContact O-N 2.91Å |
| 313 | L | 92.4 | Very high | 87.3 | Confident | 54 Ų | 54 | 94.7 Ų | 94.7 | 28% | 0.283 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 177.3 | -63.3 | 169.7 | 0 | 0 | 0 | 112.1 | F293 F309 L310 S311 H315 L316 M317 | F293-L313 HydrophobicContact CE2-CD1 3.81Å; F293-L313 HydrophobicContact CE2-CD2 4.11Å; F293-L313 HydrophobicContact CZ-CD1 4.38Å; F309-L313 HydrophobicContact CD1-CD1 4Å; F309-L313 HydrophobicContact CE1-CD1 3.71Å; F309-L313 HydrophobicContact CE1-CG 4.5Å; F309-L313 HydrophobicContact CZ-CD1 4.02Å; F309-L313 HydrophobicContact CZ-CD2 4.37Å; F309-L313 HydrophobicContact CZ-CG 4.4Å; F309-L313 WeakPolarHBondContact O-CG 3.32Å; F309-L313 PolarHBondContact O-N 2.84Å; F309-L313 VanDerWaalsContact O-N 3.07Å; L310-L313 PolarHBondContact O-N 3.33Å; S311-L313 PolarHBondContact O-N 3Å; L313-H315 PolarHBondContact O-N 2.71Å; L313-L316 PolarHBondContact O-N 2.8Å; L313-M317 WeakPolarHBondContact O-CG 3.37Å; L313-M317 PolarHBondContact O-N 2.83Å; L313-M317 VanDerWaalsContact O-N 3.16Å |
| 314 | Q | 89.8 | Confident | 86.1 | Confident | 111 Ų | 111 | 99.4 Ų | 99.4 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 175.2 | -72.2 | 169.8 | -4.2 | 0 | 0 | 112.4 | L310 S311 I312 M317 | L310-Q314 HydrophobicContact CD1-CG 4.47Å; L310-Q314 VanDerWaalsContact O-CG 3.29Å; L310-Q314 WeakPolarHBondContact O-CG 3.26Å; L310-Q314 PolarHBondContact O-N 3.31Å; S311-Q314 WeakPolarHBondContact O-CB 3.32Å; S311-Q314 PolarHBondContact O-N 3.47Å; I312-Q314 VanDerWaalsContact C-N 3.31Å; I312-Q314 PolarHBondContact O-N 3.05Å; Q314-M317 PolarHBondContact O-N 2.7Å |
| 315 | H | 88.4 | Confident | 85.4 | Confident | 121 Ų | 121 | 98.3 Ų | 98.3 | 56% | 0.56 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69 | -37.8 | 174.9 | -72.2 | 85.7 | 0 | 0 | 0 | 112.4 | S311 I312 L313 M317 L318 | S311-H315 PolarHBondContact O-N 3.48Å; S311-H315 PolarHBondContact O-ND1 3.15Å; S311-H315 PolarHBondContact OG-CE1 3.05Å; S311-H315 PolarHBondContact OG-ND1 3.04Å; I312-H315 PolarHBondContact O-N 2.73Å; I312-H315 VanDerWaalsContact O-N 3.14Å; L313-H315 PolarHBondContact O-N 2.71Å; H315-M317 PolarHBondContact O-N 3.06Å; H315-L318 WeakPolarHBondContact O-CB 3.28Å; H315-L318 PolarHBondContact O-N 2.94Å |
| 316 | L | 91.2 | Very high | 85 | Confident | 46 Ų | 46 | 100.9 Ų | 100.9 | 24% | 0.241 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -61.7 | -31.8 | 174.7 | -67.2 | 177.5 | 0 | 0 | 0 | 112.5 | I312 L313 L318 I319 F330 I333 | I312-L316 HydrophobicContact CG2-CD1 4.37Å; I312-L316 WeakPolarHBondContact O-CG 3.46Å; I312-L316 PolarHBondContact O-N 2.91Å; L313-L316 PolarHBondContact O-N 2.8Å; L316-L318 PolarHBondContact O-N 3.31Å; L316-I319 HydrophobicContact CD2-CD1 3.81Å; L316-I319 WeakPolarHBondContact O-CG1 3.26Å; L316-I319 PolarHBondContact O-N 3.22Å; L316-F330 HydrophobicContact CD2-CE1 3.88Å; L316-F330 HydrophobicContact CD2-CZ 4.28Å; L316-I333 HydrophobicContact CD2-CD1 3.77Å |
| 317 | M | 85.1 | Confident | 84.5 | Confident | 160 Ų | 160 | 100.7 Ų | 100.7 | 79% | 0.788 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15.1 | 174.2 | -71.6 | -62.2 | -60.9 | 0 | 0 | 114.2 | L313 Q314 H315 | L313-M317 WeakPolarHBondContact O-CG 3.37Å; L313-M317 PolarHBondContact O-N 2.83Å; L313-M317 VanDerWaalsContact O-N 3.16Å; Q314-M317 PolarHBondContact O-N 2.7Å; H315-M317 PolarHBondContact O-N 3.06Å |
| 318 | L | 86.7 | Confident | 83.9 | Confident | 135 Ų | 135 | 99.1 Ų | 99.1 | 71% | 0.707 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -7 | 176.4 | -58.9 | 177.3 | 0 | 0 | 0 | 113.3 | H315 L316 R320 | H315-L318 WeakPolarHBondContact O-CB 3.28Å; H315-L318 PolarHBondContact O-N 2.94Å; L316-L318 PolarHBondContact O-N 3.31Å; L318-R320 PolarHBondContact O-N 3.33Å |
| 319 | I | 87.4 | Confident | 83.5 | Confident | 23 Ų | 23 | 96.4 Ų | 96.4 | 12% | 0.118 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -67.7 | 120.2 | 177.8 | -59 | 171.2 | 0 | 0 | 0 | 109.1 | L316 R326 Y329 F330 I333 | L316-I319 HydrophobicContact CD2-CD1 3.81Å; L316-I319 WeakPolarHBondContact O-CG1 3.26Å; L316-I319 PolarHBondContact O-N 3.22Å; I319-R326 HydrophobicContact CG2-CB 4.5Å; I319-R326 HydrophobicContact CG2-CG 3.92Å; I319-Y329 HydrophobicContact CG2-CD2 3.82Å; I319-Y329 HydrophobicContact CG2-CG 3.93Å; I319-F330 HydrophobicContact CD1-CD2 4.3Å; I319-F330 HydrophobicContact CD1-CE1 4.41Å; I319-F330 HydrophobicContact CD1-CE2 3.75Å; I319-F330 HydrophobicContact CD1-CZ 3.81Å; I319-I333 HydrophobicContact CD1-CD1 3.88Å |
| 320 | R | 81.9 | Confident | 83.2 | Confident | 198 Ų | 198 | 98.6 Ų | 98.6 | 75% | 0.747 | 48% | 0.478 | S | S | * | . | trans | -56.8 | 139.3 | -178.1 | -69.8 | 176.6 | 61.6 | 162.9 | -2.8 | 111.4 | L318 D322 | L318-R320 PolarHBondContact O-N 3.33Å; R320-D322 PolarHBondContact O-N 3.15Å | ||
| 321 | N | 75.4 | Confident | 82.7 | Confident | 115 Ų | 115 | 97.3 Ų | 97.3 | 62% | 0.615 | 47% | 0.468 | S | S | * | . | trans | -79.1 | 65.3 | 178.9 | -166.6 | 49.3 | 0 | 0 | 0 | 112.3 | R326 | N321-R326 PolarHBondContact OD1-NH1 3.39Š| ||
| 322 | D | 84.3 | Confident | 82.1 | Confident | 57 Ų | 57 | 97.2 Ų | 97.2 | 31% | 0.305 | 46% | 0.464 | S | S | . | . | trans | -106 | 126.7 | 175.9 | -176.1 | -64.4 | 0 | 0 | 0 | 109.7 | R320 L324 I325 R326 | R320-D322 PolarHBondContact O-N 3.15Å; D322-L324 VanDerWaalsContact C-N 3.29Å; D322-L324 PolarHBondContact O-N 2.94Å; D322-L324 PolarHBondContact OD1-N 3.03Å; D322-I325 HydrophobicContact CB-CB 4.13Å; D322-I325 HydrophobicContact CB-CD1 4.5Å; D322-I325 HydrophobicContact CB-CG1 4.42Å; D322-I325 WeakPolarHBondContact OD1-CG1 3.23Å; D322-I325 PolarHBondContact OD1-N 3.27Å; D322-R326 WeakPolarHBondContact O-CB 3.36Å; D322-R326 PolarHBondContact O-N 3.5Å | ||
| 323 | H | 66.4 | Low | 81.8 | Confident | 166 Ų | 166 | 95.1 Ų | 95.1 | 77% | 0.769 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -23.6 | -172.8 | -71.7 | -85.6 | 0 | 0 | 0 | 114.4 | P327 | H323-P327 WeakPolarHBondContact O-CD 3.36Š|
| 324 | L | 67 | Low | 81.3 | Confident | 147 Ų | 147 | 96.6 Ų | 96.6 | 77% | 0.77 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -39.7 | -179.9 | -63.1 | 175.2 | 0 | 0 | 0 | 111.7 | D322 | D322-L324 VanDerWaalsContact C-N 3.29Å; D322-L324 PolarHBondContact O-N 2.94Å; D322-L324 PolarHBondContact OD1-N 3.03Å |
| 325 | I | 75.5 | Confident | 80.7 | Confident | 89 Ų | 89 | 94.8 Ų | 94.8 | 46% | 0.456 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -86.9 | -33.8 | -173.6 | -49.4 | 172.5 | 0 | 0 | 0 | 111.6 | D322 Q328 Y329 | D322-I325 HydrophobicContact CB-CB 4.13Å; D322-I325 HydrophobicContact CB-CD1 4.5Å; D322-I325 HydrophobicContact CB-CG1 4.42Å; D322-I325 WeakPolarHBondContact OD1-CG1 3.23Å; D322-I325 PolarHBondContact OD1-N 3.27Å; I325-Q328 PolarHBondContact O-N 3.2Å; I325-Y329 HydrophobicContact CG2-CD2 3.87Å; I325-Y329 HydrophobicContact CG2-CE2 3.57Å; I325-Y329 WeakPolarHBondContact O-CD2 3.34Å; I325-Y329 PolarHBondContact O-N 2.96Å; I325-Y329 VanDerWaalsContact O-N 3.15Å |
| 326 | R | 80.5 | Confident | 80.2 | Confident | 94 Ų | 94 | 90.4 Ų | 90.4 | 36% | 0.355 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.2 | -42.9 | -178.8 | -172.3 | 171.5 | -170.9 | -165.5 | -2.7 | 113.2 | I319 N321 D322 Q328 Y329 F330 | I319-R326 HydrophobicContact CG2-CB 4.5Å; I319-R326 HydrophobicContact CG2-CG 3.92Å; N321-R326 PolarHBondContact OD1-NH1 3.39Å; D322-R326 WeakPolarHBondContact O-CB 3.36Å; D322-R326 PolarHBondContact O-N 3.5Å; R326-Q328 VanDerWaalsContact C-N 3.29Å; R326-Q328 PolarHBondContact O-N 2.91Å; R326-Y329 PolarHBondContact O-N 2.96Å; R326-F330 HydrophobicContact CG-CD2 4.13Å; R326-F330 HydrophobicContact CG-CE2 4.05Å; R326-F330 WeakPolarHBondContact O-CD2 3.44Å; R326-F330 PolarHBondContact O-N 3.31Å |
| 327 | P | 78.9 | Confident | 79.8 | Confident | 72 Ų | 72 | 92.7 Ų | 92.7 | 47% | 0.468 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.1 | -36.4 | 173.1 | -25.3 | 35.8 | 0 | 0 | 0 | 113.7 | H323 F330 K331 | H323-P327 WeakPolarHBondContact O-CD 3.36Å; P327-F330 PolarHBondContact O-N 2.96Å; P327-K331 WeakPolarHBondContact O-CB 3.38Å; P327-K331 PolarHBondContact O-N 3.45Å |
| 328 | Q | 75.9 | Confident | 79.5 | Confident | 52 Ų | 52 | 86.2 Ų | 86.2 | 24% | 0.243 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69.9 | -37.2 | 179.8 | -53 | -59.4 | -21.3 | 0 | 0 | 111.8 | I325 R326 K331 I332 | I325-Q328 PolarHBondContact O-N 3.2Å; R326-Q328 VanDerWaalsContact C-N 3.29Å; R326-Q328 PolarHBondContact O-N 2.91Å; Q328-K331 PolarHBondContact O-N 3.42Å; Q328-I332 WeakPolarHBondContact O-CG1 3.33Å; Q328-I332 PolarHBondContact O-N 2.74Å |
| 329 | Y | 81 | Confident | 78.8 | Confident | 117 Ų | 117 | 82.6 Ų | 82.6 | 46% | 0.459 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.9 | -49.7 | 170.3 | -82.6 | -74.4 | 0 | 0 | 0 | 111.6 | I319 I325 R326 K331 I332 I333 | I319-Y329 HydrophobicContact CG2-CD2 3.82Å; I319-Y329 HydrophobicContact CG2-CG 3.93Å; I325-Y329 HydrophobicContact CG2-CD2 3.87Å; I325-Y329 HydrophobicContact CG2-CE2 3.57Å; I325-Y329 WeakPolarHBondContact O-CD2 3.34Å; I325-Y329 PolarHBondContact O-N 2.96Å; I325-Y329 VanDerWaalsContact O-N 3.15Å; R326-Y329 PolarHBondContact O-N 2.96Å; Y329-K331 VanDerWaalsContact C-N 3.35Å; Y329-K331 PolarHBondContact O-N 2.89Å; Y329-I332 PolarHBondContact O-N 3.34Å; Y329-I333 WeakPolarHBondContact O-CB 3.4Å; Y329-I333 WeakPolarHBondContact O-CD1 3.26Å; Y329-I333 WeakPolarHBondContact O-CG1 3.24Å; Y329-I333 PolarHBondContact O-N 2.93Å |
| 330 | F | 86.2 | Confident | 78.2 | Confident | 82 Ų | 82 | 85.5 Ų | 85.5 | 36% | 0.36 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 179.4 | -82.2 | -80 | 0 | 0 | 0 | 113 | L316 I319 R326 P327 I333 D334 | L316-F330 HydrophobicContact CD2-CE1 3.88Å; L316-F330 HydrophobicContact CD2-CZ 4.28Å; I319-F330 HydrophobicContact CD1-CD2 4.3Å; I319-F330 HydrophobicContact CD1-CE1 4.41Å; I319-F330 HydrophobicContact CD1-CE2 3.75Å; I319-F330 HydrophobicContact CD1-CZ 3.81Å; R326-F330 HydrophobicContact CG-CD2 4.13Å; R326-F330 HydrophobicContact CG-CE2 4.05Å; R326-F330 WeakPolarHBondContact O-CD2 3.44Å; R326-F330 PolarHBondContact O-N 3.31Å; P327-F330 PolarHBondContact O-N 2.96Å; F330-I333 PolarHBondContact O-N 3.17Å; F330-D334 WeakPolarHBondContact O-CB 3.41Å; F330-D334 PolarHBondContact O-N 3.18Å |
| 331 | K | 78.1 | Confident | 78 | Confident | 67 Ų | 67 | 80.2 Ų | 80.2 | 29% | 0.291 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 174.3 | -179.7 | -176.6 | 173.3 | -170.4 | 0 | 112.8 | P327 Q328 Y329 I333 E335 C368 | P327-K331 WeakPolarHBondContact O-CB 3.38Å; P327-K331 PolarHBondContact O-N 3.45Å; Q328-K331 PolarHBondContact O-N 3.42Å; Y329-K331 VanDerWaalsContact C-N 3.35Å; Y329-K331 PolarHBondContact O-N 2.89Å; K331-I333 VanDerWaalsContact C-N 3.31Å; K331-E335 WeakPolarHBondContact O-CB 3.47Å; K331-E335 PolarHBondContact O-N 3.21Å; K331-E335 VanDerWaalsContact O-N 3.11Å; K331-C368 VanDerWaalsContact CE-SG 3.51Å |
| 332 | I | 79.4 | Confident | 77.8 | Confident | 39 Ų | 39 | 77.3 Ų | 77.3 | 20% | 0.2 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.1 | -40 | 173.8 | -68.5 | 165.9 | 0 | 0 | 0 | 110 | Q328 Y329 C336 F361 L365 | Q328-I332 WeakPolarHBondContact O-CG1 3.33Å; Q328-I332 PolarHBondContact O-N 2.74Å; Y329-I332 PolarHBondContact O-N 3.34Å; I332-C336 WeakPolarHBondContact O-CB 2.96Å; I332-C336 PolarHBondContact O-N 3.48Å; I332-C336 PolarHBondContact O-SG 3.38Å; I332-F361 HydrophobicContact CG2-CE1 4.42Å; I332-L365 HydrophobicContact CD1-CD2 4.14Å |
| 333 | I | 86.2 | Confident | 76.9 | Confident | 52 Ų | 52 | 77.2 Ų | 77.2 | 27% | 0.267 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.2 | -43.3 | 179 | -69.2 | 164.4 | 0 | 0 | 0 | 112 | L316 I319 Y329 F330 K331 E335 C336 I337 | L316-I333 HydrophobicContact CD2-CD1 3.77Å; I319-I333 HydrophobicContact CD1-CD1 3.88Å; Y329-I333 WeakPolarHBondContact O-CB 3.4Å; Y329-I333 WeakPolarHBondContact O-CD1 3.26Å; Y329-I333 WeakPolarHBondContact O-CG1 3.24Å; Y329-I333 PolarHBondContact O-N 2.93Å; F330-I333 PolarHBondContact O-N 3.17Å; K331-I333 VanDerWaalsContact C-N 3.31Å; I333-E335 VanDerWaalsContact C-N 3.35Å; I333-E335 PolarHBondContact O-N 3.1Å; I333-C336 WeakPolarHBondContact O-CB 3.38Å; I333-C336 PolarHBondContact O-N 3.22Å; I333-I337 HydrophobicContact CG2-CD1 3.72Å; I333-I337 HydrophobicContact CG2-CG1 4.42Å; I333-I337 WeakPolarHBondContact O-CB 3.44Å; I333-I337 VanDerWaalsContact O-CG1 3.28Å; I333-I337 WeakPolarHBondContact O-CG1 3.31Å; I333-I337 PolarHBondContact O-N 3.02Å |
| 334 | D | 82.6 | Confident | 76.4 | Confident | 86 Ų | 86 | 79.3 Ų | 79.3 | 46% | 0.46 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 175.3 | -179.5 | 52.1 | 0 | 0 | 0 | 111.6 | R283 F330 I337 S338 | R283-D334 IonicContact NH2-OD1 2.71Å; F330-D334 WeakPolarHBondContact O-CB 3.41Å; F330-D334 PolarHBondContact O-N 3.18Å; D334-I337 PolarHBondContact O-N 3.39Å; D334-S338 VanDerWaalsContact O-CB 3.26Å; D334-S338 WeakPolarHBondContact O-CB 3.47Å; D334-S338 PolarHBondContact O-N 3.3Å; D334-S338 PolarHBondContact O-OG 3.13Å |
| 335 | E | 76.4 | Confident | 75.8 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 34% | 0.341 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.9 | -38.9 | 175 | -178.7 | 66.4 | -151 | 0 | 0 | 112.2 | K331 I333 S338 Q339 L364 | K331-E335 WeakPolarHBondContact O-CB 3.47Å; K331-E335 PolarHBondContact O-N 3.21Å; K331-E335 VanDerWaalsContact O-N 3.11Å; I333-E335 VanDerWaalsContact C-N 3.35Å; I333-E335 PolarHBondContact O-N 3.1Å; E335-S338 PolarHBondContact O-N 2.8Å; E335-Q339 WeakPolarHBondContact O-CB 3.21Å; E335-Q339 WeakPolarHBondContact O-CG 3.28Å; E335-Q339 PolarHBondContact O-N 2.99Å; E335-Q339 WeakPolarHBondContact OE1-CG 3.48Å; E335-Q339 PolarHBondContact OE1-NE2 3.1Å; E335-L364 HydrophobicContact CB-CD2 4.18Å; E335-L364 HydrophobicContact CG-CD1 3.59Å; E335-L364 HydrophobicContact CG-CD2 3.74Å; E335-L364 HydrophobicContact CG-CG 4.26Å |
| 336 | C | 77.4 | Confident | 74.9 | Confident | 29 Ų | 29 | 70.1 Ų | 70.1 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 173.2 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | I332 I333 S338 Q339 I340 | I332-C336 WeakPolarHBondContact O-CB 2.96Å; I332-C336 PolarHBondContact O-N 3.48Å; I332-C336 PolarHBondContact O-SG 3.38Å; I333-C336 WeakPolarHBondContact O-CB 3.38Å; I333-C336 PolarHBondContact O-N 3.22Å; C336-S338 VanDerWaalsContact C-N 3.31Å; C336-S338 PolarHBondContact O-N 3.12Å; C336-Q339 PolarHBondContact O-N 2.98Å; C336-I340 WeakPolarHBondContact O-CB 3.31Å; C336-I340 WeakPolarHBondContact O-CD1 3.39Å; C336-I340 VanDerWaalsContact O-CG1 3.23Å; C336-I340 WeakPolarHBondContact O-CG1 3.45Å; C336-I340 PolarHBondContact O-N 3.48Å |
| 337 | I | 84.1 | Confident | 73.9 | Confident | 93 Ų | 93 | 66.2 Ų | 66.2 | 48% | 0.477 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 177.5 | -68.8 | 166.8 | 0 | 0 | 0 | 109.4 | I333 D334 Q339 I340 V341 | I333-I337 HydrophobicContact CG2-CD1 3.72Å; I333-I337 HydrophobicContact CG2-CG1 4.42Å; I333-I337 WeakPolarHBondContact O-CB 3.44Å; I333-I337 VanDerWaalsContact O-CG1 3.28Å; I333-I337 WeakPolarHBondContact O-CG1 3.31Å; I333-I337 PolarHBondContact O-N 3.02Å; D334-I337 PolarHBondContact O-N 3.39Å; I337-Q339 PolarHBondContact O-N 3.27Å; I337-I340 PolarHBondContact O-N 3.14Å; I337-V341 HydrophobicContact CG2-CG2 4.12Å; I337-V341 WeakPolarHBondContact O-CB 3.43Å; I337-V341 WeakPolarHBondContact O-CG2 3.47Å; I337-V341 PolarHBondContact O-N 3.14Å |
| 338 | S | 78.4 | Confident | 73.1 | Confident | 25 Ų | 25 | 66.2 Ų | 66.2 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 175.9 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | D334 E335 C336 I340 L342 | D334-S338 VanDerWaalsContact O-CB 3.26Å; D334-S338 WeakPolarHBondContact O-CB 3.47Å; D334-S338 PolarHBondContact O-N 3.3Å; D334-S338 PolarHBondContact O-OG 3.13Å; E335-S338 PolarHBondContact O-N 2.8Å; C336-S338 VanDerWaalsContact C-N 3.31Å; C336-S338 PolarHBondContact O-N 3.12Å; S338-I340 VanDerWaalsContact C-N 3.33Å; S338-I340 PolarHBondContact O-N 2.76Å; S338-L342 WeakPolarHBondContact O-CA 3.49Å; S338-L342 WeakPolarHBondContact O-CB 3.39Å; S338-L342 PolarHBondContact O-N 3.04Å |
| 339 | Q | 72.1 | Confident | 72.4 | Confident | 59 Ų | 59 | 64.9 Ų | 64.9 | 28% | 0.276 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.9 | -24.8 | 177.8 | -70.3 | -175.8 | 25.1 | 0 | 0 | 114 | E335 C336 I337 H343 | E335-Q339 WeakPolarHBondContact O-CB 3.21Å; E335-Q339 WeakPolarHBondContact O-CG 3.28Å; E335-Q339 PolarHBondContact O-N 2.99Å; E335-Q339 WeakPolarHBondContact OE1-CG 3.48Å; E335-Q339 PolarHBondContact OE1-NE2 3.1Å; C336-Q339 PolarHBondContact O-N 2.98Å; I337-Q339 PolarHBondContact O-N 3.27Å; Q339-H343 WeakPolarHBondContact O-CA 3.47Å |
| 340 | I | 73.9 | Confident | 71.3 | Confident | 83 Ų | 83 | 62 Ų | 62 | 43% | 0.426 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -82.2 | -41.9 | 176 | -69.3 | 165.2 | 0 | 0 | 0 | 111.3 | C336 I337 S338 | C336-I340 WeakPolarHBondContact O-CB 3.31Å; C336-I340 WeakPolarHBondContact O-CD1 3.39Å; C336-I340 VanDerWaalsContact O-CG1 3.23Å; C336-I340 WeakPolarHBondContact O-CG1 3.45Å; C336-I340 PolarHBondContact O-N 3.48Å; I337-I340 PolarHBondContact O-N 3.14Å; S338-I340 VanDerWaalsContact C-N 3.33Å; S338-I340 PolarHBondContact O-N 2.76Å |
| 341 | V | 77.4 | Confident | 70.2 | Confident | 87 Ų | 87 | 66.4 Ų | 66.4 | 53% | 0.527 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -86 | -44.1 | -175.8 | 177 | 0 | 0 | 0 | 0 | 111.7 | F275 I337 H343 | F275-V341 HydrophobicContact CE1-CG1 4.34Å; I337-V341 HydrophobicContact CG2-CG2 4.12Å; I337-V341 WeakPolarHBondContact O-CB 3.43Å; I337-V341 WeakPolarHBondContact O-CG2 3.47Å; I337-V341 PolarHBondContact O-N 3.14Å; V341-H343 PolarHBondContact O-N 2.97Å |
| 342 | L | 71.1 | Confident | 69.1 | Low | 55 Ų | 55 | 67.8 Ų | 67.8 | 29% | 0.288 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -93.3 | 42.7 | 174.4 | -47.6 | 175.8 | 0 | 0 | 0 | 110.3 | F275 L279 S338 R344 | F275-L342 HydrophobicContact CD1-CD2 3.77Å; F275-L342 HydrophobicContact CE1-CD2 3.82Å; L279-L342 HydrophobicContact CD2-CD1 3.9Å; L279-L342 HydrophobicContact CD2-CD2 4.46Å; S338-L342 WeakPolarHBondContact O-CA 3.49Å; S338-L342 WeakPolarHBondContact O-CB 3.39Å; S338-L342 PolarHBondContact O-N 3.04Å; L342-R344 PolarHBondContact O-N 3.2Å |
| 343 | H | 66.3 | Low | 67.7 | Low | 55 Ų | 55 | 72.7 Ų | 72.7 | 26% | 0.255 | 37% | 0.369 | S | S | . | . | trans | -56.2 | 130.6 | -170.5 | 179.1 | -104.5 | 0 | 0 | 0 | 112.1 | Q339 V341 S345 G346 T347 | Q339-H343 WeakPolarHBondContact O-CA 3.47Å; V341-H343 PolarHBondContact O-N 2.97Å; H343-S345 PolarHBondContact CE1-OG 2.99Å; H343-S345 PolarHBondContact ND1-OG 3.38Å; H343-S345 PolarHBondContact O-N 3.45Å; H343-G346 PolarHBondContact O-N 3.5Å; H343-T347 PolarHBondContact ND1-O 3.2Å | ||
| 344 | R | 56 | Low | 65.9 | Low | 209 Ų | 209 | 82.5 Ų | 82.5 | 79% | 0.789 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -12.3 | -164 | -67 | -171.3 | -179.4 | -165.4 | 2.3 | 116.8 | L342 | L342-R344 PolarHBondContact O-N 3.2Š|
| 345 | S | 55.1 | Low | 64.2 | Low | 29 Ų | 29 | 86.1 Ų | 86.1 | 20% | 0.203 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -5.8 | 174.1 | 60.1 | 0 | 0 | 0 | 0 | 114.3 | K268 H343 T347 | K268-S345 WeakPolarHBondContact CD-O 3.43Å; K268-S345 WeakPolarHBondContact CE-O 3.44Å; H343-S345 PolarHBondContact CE1-OG 2.99Å; H343-S345 PolarHBondContact ND1-OG 3.38Å; H343-S345 PolarHBondContact O-N 3.45Å; S345-T347 PolarHBondContact O-N 2.89Å; S345-T347 PolarHBondContact OG-OG1 3.06Å |
| 346 | G | 55.3 | Low | 62.7 | Low | 15 Ų | 15 | 93.7 Ų | 93.7 | 16% | 0.155 | 44% | 0.442 | C | S | . | . | S | Bend | trans | 67.2 | 25.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | H343 | H343-G346 PolarHBondContact O-N 3.5Š|
| 347 | T | 60.3 | Low | 61.5 | Low | 12 Ų | 12 | 97.4 Ų | 97.4 | 7% | 0.074 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -144.7 | 152 | -175.5 | 69.1 | 0 | 0 | 0 | 0 | 112.1 | N235 M238 H343 S345 | N235-T347 WeakPolarHBondContact OD1-CA 3.32Å; N235-T347 VanDerWaalsContact OD1-CB 3.28Å; N235-T347 WeakPolarHBondContact OD1-CB 3.4Å; N235-T347 WeakPolarHBondContact OD1-CG2 3.41Å; M238-T347 HydrophobicContact CE-CG2 4.09Å; M238-T347 HydrophobicContact CG-CG2 4.08Å; H343-T347 PolarHBondContact ND1-O 3.2Å; S345-T347 PolarHBondContact O-N 2.89Å; S345-T347 PolarHBondContact OG-OG1 3.06Å |
| 348 | D | 61.9 | Low | 59.7 | Low | 71 Ų | 71 | 100.8 Ų | 100.8 | 38% | 0.38 | 48% | 0.478 | S | S | . | . | trans | -47.5 | 141 | 172.9 | -59.7 | -35.2 | 0 | 0 | 0 | 112.2 | N235 R239 | N235-D348 VanDerWaalsContact CB-OD2 3.3Å; N235-D348 WeakPolarHBondContact CB-OD2 3.33Å; N235-D348 PolarHBondContact ND2-N 3.27Å; N235-D348 PolarHBondContact ND2-OD1 3.34Å; N235-D348 VanDerWaalsContact ND2-OD1 3.08Å; N235-D348 PolarHBondContact ND2-OD2 3.33Å; R239-D348 IonicContact CZ-OD2 2.76Å; R239-D348 IonicContact NH1-OD2 2.7Å; R239-D348 PolarHBondContact NH1-OD2 3Å | ||
| 349 | P | 60.5 | Low | 58.6 | Low | 25 Ų | 25 | 101.6 Ų | 101.6 | 16% | 0.162 | 48% | 0.482 | C | S | . | . | trans | -56.1 | 146.2 | 162 | -23.7 | 34.6 | 0 | 0 | 0 | 111.2 | F351 | P349-F351 HydrophobicContact CB-CE1 4.1Å; P349-F351 HydrophobicContact CB-CE2 4.43Å; P349-F351 HydrophobicContact CB-CZ 3.99Å; P349-F351 HydrophobicContact CG-CE1 4.45Å; P349-F351 HydrophobicContact CG-CZ 4.08Å; P349-F351 WeakPolarHBondContact O-CD2 3.41Å; P349-F351 VanDerWaalsContact O-CE2 3.3Å; P349-F351 WeakPolarHBondContact O-CE2 3.43Å; P349-F351 PolarHBondContact O-N 3.37Å | ||
| 350 | D | 58.1 | Low | 57.7 | Low | 56 Ų | 56 | 103.8 Ų | 103.8 | 30% | 0.299 | 50% | 0.496 | S | S | . | . | trans | -82.9 | 89.1 | 176.7 | -174.7 | 0.8 | 0 | 0 | 0 | 110.7 | S352 Y353 | D350-S352 PolarHBondContact O-N 3.46Å; D350-S352 WeakPolarHBondContact OD1-CA 3.4Å; D350-S352 WeakPolarHBondContact OD1-CB 3.38Å; D350-S352 PolarHBondContact OD1-N 3.49Å; D350-S352 PolarHBondContact OD1-OG 3.25Å; D350-Y353 PolarHBondContact O-N 2.7Å; D350-Y353 VanDerWaalsContact O-N 3.15Å; D350-Y353 VanDerWaalsContact OD2-CD2 3.28Å; D350-Y353 WeakPolarHBondContact OD2-CD2 3.39Å | ||
| 351 | F | 62.8 | Low | 56.8 | Low | 174 Ų | 174 | 104.1 Ų | 104.1 | 76% | 0.763 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -7.3 | 177.4 | -54.5 | -72.9 | 0 | 0 | 0 | 114.2 | P349 | P349-F351 HydrophobicContact CB-CE1 4.1Å; P349-F351 HydrophobicContact CB-CE2 4.43Å; P349-F351 HydrophobicContact CB-CZ 3.99Å; P349-F351 HydrophobicContact CG-CE1 4.45Å; P349-F351 HydrophobicContact CG-CZ 4.08Å; P349-F351 WeakPolarHBondContact O-CD2 3.41Å; P349-F351 VanDerWaalsContact O-CE2 3.3Å; P349-F351 WeakPolarHBondContact O-CE2 3.43Å; P349-F351 PolarHBondContact O-N 3.37Å |
| 352 | S | 56.2 | Low | 56 | Low | 96 Ų | 96 | 103.7 Ų | 103.7 | 67% | 0.671 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -29 | 175.1 | -25.1 | 0 | 0 | 0 | 0 | 112.2 | D350 | D350-S352 PolarHBondContact O-N 3.46Å; D350-S352 WeakPolarHBondContact OD1-CA 3.4Å; D350-S352 WeakPolarHBondContact OD1-CB 3.38Å; D350-S352 PolarHBondContact OD1-N 3.49Å; D350-S352 PolarHBondContact OD1-OG 3.25Å |
| 353 | Y | 50.2 | Low | 55.4 | Low | 142 Ų | 142 | 106.8 Ų | 106.8 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | trans | -82.5 | 126.7 | -176.6 | -108.4 | -103.3 | 0 | 0 | 0 | 111.5 | D350 Q355 | D350-Y353 PolarHBondContact O-N 2.7Å; D350-Y353 VanDerWaalsContact O-N 3.15Å; D350-Y353 VanDerWaalsContact OD2-CD2 3.28Å; D350-Y353 WeakPolarHBondContact OD2-CD2 3.39Å; Y353-Q355 VanDerWaalsContact C-N 3.31Å; Y353-Q355 PolarHBondContact O-N 3.27Å | ||
| 354 | R | 47.1 | Very low | 54.8 | Low | 258 Ų | 258 | 105.7 Ų | 105.7 | 97% | 0.974 | 50% | 0.504 | S | S | * | . | trans | -86.3 | 8.8 | 179.9 | -65.6 | -172.3 | 179.4 | -173 | 0.5 | 114.8 | ||||
| 355 | Q | 46.7 | Very low | 55 | Low | 162 Ų | 162 | 100.2 Ų | 100.2 | 76% | 0.757 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -78.3 | 147.7 | 167.5 | -75.6 | -175.1 | -18.5 | 0 | 0 | 109.4 | Y353 | Y353-Q355 VanDerWaalsContact C-N 3.31Å; Y353-Q355 PolarHBondContact O-N 3.27Å |
| 356 | R | 45.8 | Very low | 55.3 | Low | 232 Ų | 232 | 104.8 Ų | 104.8 | 88% | 0.875 | 51% | 0.508 | S | S | * | . | trans | -66.4 | 148.8 | -174.6 | -59.7 | 176.7 | -171.7 | 166.5 | 2.8 | 109.8 | D358 | R356-D358 PolarHBondContact O-N 3.24Š| ||
| 357 | L | 52.8 | Low | 55.4 | Low | 108 Ų | 108 | 107.7 Ų | 107.7 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | trans | -60.4 | 105.9 | 161.6 | -115.6 | 158.7 | 0 | 0 | 0 | 107.3 | V359 | L357-V359 HydrophobicContact CB-CG2 4.39Å; L357-V359 HydrophobicContact CD2-CG2 4.11Å; L357-V359 PolarHBondContact O-N 3.36Å | ||
| 358 | D | 46.3 | Very low | 55.2 | Low | 164 Ų | 164 | 107.7 Ų | 107.7 | 88% | 0.877 | 52% | 0.522 | S | S | * | . | trans | -83.3 | 68 | -171 | -156.8 | 34.2 | 0 | 0 | 0 | 110.4 | R356 D360 | R356-D358 PolarHBondContact O-N 3.24Å; D358-D360 PolarHBondContact O-N 2.87Å | ||
| 359 | V | 54.9 | Low | 55.3 | Low | 41 Ų | 41 | 108.2 Ų | 108.2 | 25% | 0.248 | 53% | 0.528 | C | S | . | . | trans | -84.8 | 103.2 | 179.6 | -178 | 0 | 0 | 0 | 0 | 108.4 | L357 F361 | L357-V359 HydrophobicContact CB-CG2 4.39Å; L357-V359 HydrophobicContact CD2-CG2 4.11Å; L357-V359 PolarHBondContact O-N 3.36Å; V359-F361 HydrophobicContact CB-CD2 4.47Å; V359-F361 HydrophobicContact CB-CE2 3.85Å; V359-F361 HydrophobicContact CB-CZ 4.07Å; V359-F361 HydrophobicContact CG1-CD1 4.41Å; V359-F361 HydrophobicContact CG1-CD2 4.26Å; V359-F361 HydrophobicContact CG1-CE1 3.97Å; V359-F361 HydrophobicContact CG1-CE2 3.79Å; V359-F361 HydrophobicContact CG1-CZ 3.63Å; V359-F361 WeakPolarHBondContact O-CD2 3.43Å; V359-F361 WeakPolarHBondContact O-CE2 3.37Å; V359-F361 PolarHBondContact O-N 3.24Å; V359-F361 VanDerWaalsContact O-N 3.09Å | ||
| 360 | D | 53.7 | Low | 55.5 | Low | 105 Ų | 105 | 110.9 Ų | 110.9 | 56% | 0.561 | 54% | 0.541 | S | S | * | . | trans | -73.7 | 98.6 | 174.2 | 178.7 | 24.4 | 0 | 0 | 0 | 111.1 | D358 S362 | D358-D360 PolarHBondContact O-N 2.87Å; D360-S362 VanDerWaalsContact C-N 3.25Å; D360-S362 PolarHBondContact O-N 2.9Å; D360-S362 WeakPolarHBondContact OD1-CB 3.47Å; D360-S362 PolarHBondContact OD1-N 2.97Å; D360-S362 PolarHBondContact OD1-OG 3.24Å | ||
| 361 | F | 54.7 | Low | 55.6 | Low | 91 Ų | 91 | 113.9 Ų | 113.9 | 40% | 0.399 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -72.6 | -13.8 | 175.4 | -68 | -80.8 | 0 | 0 | 0 | 114 | I332 V359 L364 L365 | I332-F361 HydrophobicContact CG2-CE1 4.42Å; V359-F361 HydrophobicContact CB-CD2 4.47Å; V359-F361 HydrophobicContact CB-CE2 3.85Å; V359-F361 HydrophobicContact CB-CZ 4.07Å; V359-F361 HydrophobicContact CG1-CD1 4.41Å; V359-F361 HydrophobicContact CG1-CD2 4.26Å; V359-F361 HydrophobicContact CG1-CE1 3.97Å; V359-F361 HydrophobicContact CG1-CE2 3.79Å; V359-F361 HydrophobicContact CG1-CZ 3.63Å; V359-F361 WeakPolarHBondContact O-CD2 3.43Å; V359-F361 WeakPolarHBondContact O-CE2 3.37Å; V359-F361 PolarHBondContact O-N 3.24Å; V359-F361 VanDerWaalsContact O-N 3.09Å; F361-L364 PolarHBondContact O-N 2.87Å; F361-L364 VanDerWaalsContact O-N 3.17Å; F361-L365 HydrophobicContact CB-CD1 4.35Å; F361-L365 WeakPolarHBondContact O-CG 3.48Å; F361-L365 PolarHBondContact O-N 2.89Å |
| 362 | S | 60.3 | Low | 55.5 | Low | 78 Ų | 78 | 107 Ų | 107 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.8 | -52.4 | -170.2 | -43 | 0 | 0 | 0 | 0 | 111.2 | D360 L364 L365 E366 | D360-S362 VanDerWaalsContact C-N 3.25Å; D360-S362 PolarHBondContact O-N 2.9Å; D360-S362 WeakPolarHBondContact OD1-CB 3.47Å; D360-S362 PolarHBondContact OD1-N 2.97Å; D360-S362 PolarHBondContact OD1-OG 3.24Å; S362-L364 VanDerWaalsContact C-N 3.28Å; S362-L364 PolarHBondContact O-N 3.15Å; S362-L365 PolarHBondContact O-N 3.04Å; S362-E366 PolarHBondContact O-N 3.35Å |
| 363 | H | 57.4 | Low | 56.2 | Low | 119 Ų | 119 | 107.8 Ų | 107.8 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.9 | -30.9 | 176.9 | -173.2 | 35.6 | 0 | 0 | 0 | 112.4 | E366 V367 | H363-E366 IonicContact ND1-OE2 2.79Å; H363-E366 PolarHBondContact O-N 2.83Å; H363-V367 WeakPolarHBondContact O-CG2 3.31Å; H363-V367 PolarHBondContact O-N 3.32Å |
| 364 | L | 55.4 | Low | 57.1 | Low | 32 Ų | 32 | 104.7 Ų | 104.7 | 17% | 0.168 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -70.6 | -37.7 | 179.3 | -156.5 | 76 | 0 | 0 | 0 | 112.4 | E335 F361 S362 C368 | E335-L364 HydrophobicContact CB-CD2 4.18Å; E335-L364 HydrophobicContact CG-CD1 3.59Å; E335-L364 HydrophobicContact CG-CD2 3.74Å; E335-L364 HydrophobicContact CG-CG 4.26Å; F361-L364 PolarHBondContact O-N 2.87Å; F361-L364 VanDerWaalsContact O-N 3.17Å; S362-L364 VanDerWaalsContact C-N 3.28Å; S362-L364 PolarHBondContact O-N 3.15Å; L364-C368 VanDerWaalsContact O-CB 3.31Å; L364-C368 WeakPolarHBondContact O-CB 3.24Å; L364-C368 PolarHBondContact O-N 2.96Å; L364-C368 PolarHBondContact O-SG 3.39Å |
| 365 | L | 59.2 | Low | 57.9 | Low | 94 Ų | 94 | 95.7 Ų | 95.7 | 49% | 0.492 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65 | -45.4 | 173.4 | -76 | 161.6 | 0 | 0 | 0 | 111.1 | I332 F361 S362 C368 V369 | I332-L365 HydrophobicContact CD1-CD2 4.14Å; F361-L365 HydrophobicContact CB-CD1 4.35Å; F361-L365 WeakPolarHBondContact O-CG 3.48Å; F361-L365 PolarHBondContact O-N 2.89Å; S362-L365 PolarHBondContact O-N 3.04Å; L365-C368 PolarHBondContact O-N 3.37Å; L365-V369 WeakPolarHBondContact O-CB 3.41Å; L365-V369 VanDerWaalsContact O-CG2 3.29Å; L365-V369 WeakPolarHBondContact O-CG2 3.29Å; L365-V369 PolarHBondContact O-N 2.91Å |
| 366 | E | 61.8 | Low | 59.1 | Low | 125 Ų | 125 | 92 Ų | 92 | 58% | 0.584 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -55.5 | -54.7 | 172.8 | -76.5 | -174.7 | 137.5 | 0 | 0 | 111.8 | S362 H363 C368 V369 D370 | S362-E366 PolarHBondContact O-N 3.35Å; H363-E366 IonicContact ND1-OE2 2.79Å; H363-E366 PolarHBondContact O-N 2.83Å; E366-C368 PolarHBondContact O-N 3.11Å; E366-V369 PolarHBondContact O-N 3.45Å; E366-V369 VanDerWaalsContact O-N 3.15Å; E366-D370 PolarHBondContact O-N 3.31Å |
| 367 | V | 58 | Low | 59.9 | Low | 76 Ų | 76 | 87.4 Ų | 87.4 | 46% | 0.461 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.4 | -31.5 | -178.2 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | H363 K371 | H363-V367 WeakPolarHBondContact O-CG2 3.31Å; H363-V367 PolarHBondContact O-N 3.32Å; V367-K371 VanDerWaalsContact O-CB 3.24Å; V367-K371 WeakPolarHBondContact O-CB 3.44Å; V367-K371 PolarHBondContact O-N 2.75Å |
| 368 | C | 54.9 | Low | 60.7 | Low | 12 Ų | 12 | 88.1 Ų | 88.1 | 8% | 0.081 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -71.6 | -42.4 | 173.9 | -71.6 | 0 | 0 | 0 | 0 | 112.9 | K331 L364 L365 E366 A372 | K331-C368 VanDerWaalsContact CE-SG 3.51Å; L364-C368 VanDerWaalsContact O-CB 3.31Å; L364-C368 WeakPolarHBondContact O-CB 3.24Å; L364-C368 PolarHBondContact O-N 2.96Å; L364-C368 PolarHBondContact O-SG 3.39Å; L365-C368 PolarHBondContact O-N 3.37Å; E366-C368 PolarHBondContact O-N 3.11Å; C368-A372 WeakPolarHBondContact O-CB 3.21Å; C368-A372 PolarHBondContact O-N 2.77Å |
| 369 | V | 64.4 | Low | 61.8 | Low | 83 Ų | 83 | 86.5 Ų | 86.5 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.3 | -48.9 | 178.7 | 167.7 | 0 | 0 | 0 | 0 | 111.3 | L365 E366 K371 A372 R373 | L365-V369 WeakPolarHBondContact O-CB 3.41Å; L365-V369 VanDerWaalsContact O-CG2 3.29Å; L365-V369 WeakPolarHBondContact O-CG2 3.29Å; L365-V369 PolarHBondContact O-N 2.91Å; E366-V369 PolarHBondContact O-N 3.45Å; E366-V369 VanDerWaalsContact O-N 3.15Å; V369-K371 PolarHBondContact O-N 2.98Å; V369-A372 PolarHBondContact O-N 2.97Å; V369-R373 WeakPolarHBondContact O-CG 3.47Å; V369-R373 PolarHBondContact O-N 3.38Å |
| 370 | D | 63.9 | Low | 62.8 | Low | 80 Ų | 80 | 90.4 Ų | 90.4 | 43% | 0.428 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.3 | -37 | -179.6 | -85.2 | -16.7 | 0 | 0 | 0 | 112 | E366 R373 V374 | E366-D370 PolarHBondContact O-N 3.31Å; D370-R373 PolarHBondContact O-N 2.98Å; D370-R373 IonicContact OD1-CZ 3.22Å; D370-R373 IonicContact OD1-NH1 2.73Å; D370-R373 PolarHBondContact OD1-NH1 3.22Å; D370-V374 WeakPolarHBondContact O-CG2 3.35Å; D370-V374 PolarHBondContact O-N 3.41Å |
| 371 | K | 61.4 | Low | 63.7 | Low | 119 Ų | 119 | 88.1 Ų | 88.1 | 52% | 0.517 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 171 | -176.9 | 163.8 | -177.6 | 173.7 | 0 | 111.7 | V367 V369 R373 V374 D375 | V367-K371 VanDerWaalsContact O-CB 3.24Å; V367-K371 WeakPolarHBondContact O-CB 3.44Å; V367-K371 PolarHBondContact O-N 2.75Å; V369-K371 PolarHBondContact O-N 2.98Å; K371-R373 VanDerWaalsContact C-N 3.26Å; K371-R373 PolarHBondContact O-N 3.46Å; K371-V374 PolarHBondContact O-N 3.33Å; K371-V374 VanDerWaalsContact O-N 3.12Å; K371-D375 PolarHBondContact O-N 3.15Å |
| 372 | A | 60.3 | Low | 64.6 | Low | 30 Ų | 30 | 88.4 Ų | 88.4 | 25% | 0.248 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.5 | -35.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C368 V369 E376 | C368-A372 WeakPolarHBondContact O-CB 3.21Å; C368-A372 PolarHBondContact O-N 2.77Å; V369-A372 PolarHBondContact O-N 2.97Å; A372-E376 WeakPolarHBondContact O-CB 3.31Å; A372-E376 PolarHBondContact O-N 3.47Å |
| 373 | R | 71 | Confident | 65.4 | Low | 113 Ų | 113 | 89.3 Ų | 89.3 | 43% | 0.426 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 173.4 | -69.2 | 169 | 66.6 | -150.9 | 3.3 | 112.3 | V369 D370 K371 E376 Y377 | V369-R373 WeakPolarHBondContact O-CG 3.47Å; V369-R373 PolarHBondContact O-N 3.38Å; D370-R373 PolarHBondContact O-N 2.98Å; D370-R373 IonicContact OD1-CZ 3.22Å; D370-R373 IonicContact OD1-NH1 2.73Å; D370-R373 PolarHBondContact OD1-NH1 3.22Å; K371-R373 VanDerWaalsContact C-N 3.26Å; K371-R373 PolarHBondContact O-N 3.46Å; R373-E376 PolarHBondContact O-N 3.19Å; R373-Y377 HydrophobicContact CB-CE2 4.31Å; R373-Y377 WeakPolarHBondContact O-CD2 3.4Å; R373-Y377 PolarHBondContact O-N 3.42Å |
| 374 | V | 68.3 | Low | 66.1 | Low | 76 Ų | 76 | 89.3 Ų | 89.3 | 46% | 0.461 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 174.1 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | D370 K371 E376 Y377 E378 | D370-V374 WeakPolarHBondContact O-CG2 3.35Å; D370-V374 PolarHBondContact O-N 3.41Å; K371-V374 PolarHBondContact O-N 3.33Å; K371-V374 VanDerWaalsContact O-N 3.12Å; V374-E376 VanDerWaalsContact C-N 3.28Å; V374-E376 PolarHBondContact O-N 3.47Å; V374-Y377 PolarHBondContact O-N 2.99Å; V374-Y377 VanDerWaalsContact O-N 3.1Å; V374-E378 PolarHBondContact O-N 2.7Å |
| 375 | D | 65.4 | Low | 67.1 | Low | 70 Ų | 70 | 90 Ų | 90 | 37% | 0.374 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.5 | -40.8 | 176.5 | -57.6 | -24.9 | 0 | 0 | 0 | 110.6 | K371 Q379 | K371-D375 PolarHBondContact O-N 3.15Å; D375-Q379 WeakPolarHBondContact O-CB 3.41Å; D375-Q379 PolarHBondContact O-N 2.69Å |
| 376 | E | 70.1 | Confident | 68.1 | Low | 84 Ų | 84 | 92 Ų | 92 | 39% | 0.393 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 174.6 | -171 | -170.2 | 165.2 | 0 | 0 | 113.2 | A372 R373 V374 R380 | A372-E376 WeakPolarHBondContact O-CB 3.31Å; A372-E376 PolarHBondContact O-N 3.47Å; R373-E376 PolarHBondContact O-N 3.19Å; V374-E376 VanDerWaalsContact C-N 3.28Å; V374-E376 PolarHBondContact O-N 3.47Å; E376-R380 PolarHBondContact O-N 3.46Å; E376-R380 VanDerWaalsContact O-N 3.1Å; E376-R380 IonicContact OE1-CZ 2.73Å; E376-R380 IonicContact OE1-NH1 3.81Å; E376-R380 PolarHBondContact OE1-NH1 3.11Å; E376-R380 IonicContact OE1-NH2 2.68Å; E376-R380 PolarHBondContact OE1-NH2 2.91Å |
| 377 | Y | 64.4 | Low | 69 | Low | 135 Ų | 135 | 91.6 Ų | 91.6 | 53% | 0.529 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.3 | -39.8 | 176.4 | -70.6 | -55.7 | 0 | 0 | 0 | 112.4 | R373 V374 Q379 R380 A381 | R373-Y377 HydrophobicContact CB-CE2 4.31Å; R373-Y377 WeakPolarHBondContact O-CD2 3.4Å; R373-Y377 PolarHBondContact O-N 3.42Å; V374-Y377 PolarHBondContact O-N 2.99Å; V374-Y377 VanDerWaalsContact O-N 3.1Å; Y377-Q379 VanDerWaalsContact C-N 3.33Å; Y377-R380 PolarHBondContact O-N 3.47Å; Y377-A381 WeakPolarHBondContact O-CB 3.45Å; Y377-A381 PolarHBondContact O-N 2.77Å |
| 378 | E | 69.1 | Low | 70.1 | Confident | 123 Ų | 123 | 94.8 Ų | 94.8 | 58% | 0.575 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.6 | -41.3 | 173.6 | -72.4 | -170 | 176.1 | 0 | 0 | 111.3 | V374 A381 L382 | V374-E378 PolarHBondContact O-N 2.7Å; E378-A381 PolarHBondContact O-N 3.37Å; E378-L382 WeakPolarHBondContact O-CG 2.96Å; E378-L382 PolarHBondContact O-N 3.47Å |
| 379 | Q | 69.9 | Low | 71.3 | Confident | 130 Ų | 130 | 98.7 Ų | 98.7 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 177.8 | -163.2 | 165.9 | 20.5 | 0 | 0 | 112.2 | D375 Y377 A381 L382 E383 | D375-Q379 WeakPolarHBondContact O-CB 3.41Å; D375-Q379 PolarHBondContact O-N 2.69Å; Y377-Q379 VanDerWaalsContact C-N 3.33Å; Q379-A381 VanDerWaalsContact C-N 3.35Å; Q379-A381 PolarHBondContact O-N 2.99Å; Q379-L382 PolarHBondContact O-N 2.86Å; Q379-E383 PolarHBondContact O-N 3.12Å; Q379-E383 VanDerWaalsContact O-N 3.07Å |
| 380 | R | 74.1 | Confident | 71.9 | Confident | 124 Ų | 124 | 101.2 Ų | 101.2 | 47% | 0.468 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.4 | -35.3 | 171.9 | -75.2 | -167.4 | -177.9 | 106.3 | 9.4 | 113.3 | E376 Y377 L382 E383 L384 | E376-R380 PolarHBondContact O-N 3.46Å; E376-R380 VanDerWaalsContact O-N 3.1Å; E376-R380 IonicContact OE1-CZ 2.73Å; E376-R380 IonicContact OE1-NH1 3.81Å; E376-R380 PolarHBondContact OE1-NH1 3.11Å; E376-R380 IonicContact OE1-NH2 2.68Å; E376-R380 PolarHBondContact OE1-NH2 2.91Å; Y377-R380 PolarHBondContact O-N 3.47Å; R380-L382 VanDerWaalsContact C-N 3.34Å; R380-E383 PolarHBondContact O-N 3.4Å; R380-L384 WeakPolarHBondContact O-CB 3.2Å; R380-L384 WeakPolarHBondContact O-CG 3.49Å; R380-L384 PolarHBondContact O-N 2.8Å |
| 381 | A | 73.1 | Confident | 72.6 | Confident | 57 Ų | 57 | 104.2 Ų | 104.2 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y377 E378 Q379 L384 A385 | Y377-A381 WeakPolarHBondContact O-CB 3.45Å; Y377-A381 PolarHBondContact O-N 2.77Å; E378-A381 PolarHBondContact O-N 3.37Å; Q379-A381 VanDerWaalsContact C-N 3.35Å; Q379-A381 PolarHBondContact O-N 2.99Å; A381-L384 PolarHBondContact O-N 2.92Å; A381-A385 WeakPolarHBondContact O-CB 3.49Å; A381-A385 PolarHBondContact O-N 3.22Å |
| 382 | L | 73.9 | Confident | 73.6 | Confident | 97 Ų | 97 | 104.1 Ų | 104.1 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 174.1 | -71.5 | 166.5 | 0 | 0 | 0 | 112.4 | E378 Q379 R380 L384 A385 Q386 | E378-L382 WeakPolarHBondContact O-CG 2.96Å; E378-L382 PolarHBondContact O-N 3.47Å; Q379-L382 PolarHBondContact O-N 2.86Å; R380-L382 VanDerWaalsContact C-N 3.34Å; L382-L384 VanDerWaalsContact C-N 3.32Å; L382-L384 PolarHBondContact O-N 3.36Å; L382-A385 PolarHBondContact O-N 2.91Å; L382-Q386 WeakPolarHBondContact O-CG 3.37Å; L382-Q386 PolarHBondContact O-N 3.43Å |
| 383 | E | 76.4 | Confident | 74.5 | Confident | 96 Ų | 96 | 107.6 Ų | 107.6 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 174.3 | -73.9 | -177 | -161.9 | 0 | 0 | 112.9 | Q379 R380 K387 | Q379-E383 PolarHBondContact O-N 3.12Å; Q379-E383 VanDerWaalsContact O-N 3.07Å; R380-E383 PolarHBondContact O-N 3.4Å; E383-K387 WeakPolarHBondContact O-CD 3.43Å; E383-K387 WeakPolarHBondContact O-CG 3.21Å; E383-K387 PolarHBondContact O-N 3.24Å |
| 384 | L | 73.4 | Confident | 74.9 | Confident | 120 Ų | 120 | 105.6 Ų | 105.6 | 63% | 0.628 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.5 | -36.6 | 176.3 | -75.1 | 168 | 0 | 0 | 0 | 112.1 | R380 A381 L382 F388 | R380-L384 WeakPolarHBondContact O-CB 3.2Å; R380-L384 WeakPolarHBondContact O-CG 3.49Å; R380-L384 PolarHBondContact O-N 2.8Å; A381-L384 PolarHBondContact O-N 2.92Å; L382-L384 VanDerWaalsContact C-N 3.32Å; L382-L384 PolarHBondContact O-N 3.36Å; L384-F388 WeakPolarHBondContact O-CB 3.34Å; L384-F388 PolarHBondContact O-N 2.94Å |
| 385 | A | 76.9 | Confident | 75.4 | Confident | 46 Ų | 46 | 110.2 Ų | 110.2 | 38% | 0.38 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A381 L382 K387 F388 D389 | A381-A385 WeakPolarHBondContact O-CB 3.49Å; A381-A385 PolarHBondContact O-N 3.22Å; L382-A385 PolarHBondContact O-N 2.91Å; A385-K387 PolarHBondContact O-N 2.86Å; A385-F388 WeakPolarHBondContact O-CB 3.4Å; A385-F388 PolarHBondContact O-N 2.88Å; A385-F388 VanDerWaalsContact O-N 3.11Å; A385-D389 PolarHBondContact O-N 3Å |
| 386 | Q | 79.6 | Confident | 76 | Confident | 137 Ų | 137 | 112.1 Ų | 112.1 | 64% | 0.64 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59 | -44.6 | 177.1 | -74.6 | -178.4 | -25.1 | 0 | 0 | 112.3 | L382 F388 D389 E390 | L382-Q386 WeakPolarHBondContact O-CG 3.37Å; L382-Q386 PolarHBondContact O-N 3.43Å; Q386-F388 VanDerWaalsContact C-N 3.3Å; Q386-F388 PolarHBondContact O-N 3.1Å; Q386-D389 PolarHBondContact O-N 2.9Å; Q386-E390 WeakPolarHBondContact O-CB 3.43Å; Q386-E390 PolarHBondContact O-N 2.97Å |
| 387 | K | 80.1 | Confident | 76.5 | Confident | 115 Ų | 115 | 114 Ų | 114 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.6 | -32.6 | 176.2 | -72.9 | 166.3 | -176.9 | 159.2 | 0 | 112.9 | E383 A385 E391 | E383-K387 WeakPolarHBondContact O-CD 3.43Å; E383-K387 WeakPolarHBondContact O-CG 3.21Å; E383-K387 PolarHBondContact O-N 3.24Å; A385-K387 PolarHBondContact O-N 2.86Å; K387-E391 WeakPolarHBondContact O-CB 3.49Å; K387-E391 WeakPolarHBondContact O-CG 3.41Å; K387-E391 PolarHBondContact O-N 3.09Å |
| 388 | F | 82.3 | Confident | 77.2 | Confident | 143 Ų | 143 | 109.9 Ų | 109.9 | 63% | 0.627 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.3 | -43.3 | 174.9 | -178.2 | -91.1 | 0 | 0 | 0 | 111.9 | L384 A385 Q386 E390 F392 | L384-F388 WeakPolarHBondContact O-CB 3.34Å; L384-F388 PolarHBondContact O-N 2.94Å; A385-F388 WeakPolarHBondContact O-CB 3.4Å; A385-F388 PolarHBondContact O-N 2.88Å; A385-F388 VanDerWaalsContact O-N 3.11Å; Q386-F388 VanDerWaalsContact C-N 3.3Å; Q386-F388 PolarHBondContact O-N 3.1Å; F388-E390 VanDerWaalsContact C-N 3.34Å; F388-F392 VanDerWaalsContact O-CB 3.24Å; F388-F392 WeakPolarHBondContact O-CB 3.3Å; F388-F392 PolarHBondContact O-N 2.94Å |
| 389 | D | 79.3 | Confident | 77.5 | Confident | 94 Ų | 94 | 109.6 Ų | 109.6 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 176.6 | -69.5 | -25.5 | 0 | 0 | 0 | 111.7 | A385 Q386 F392 L393 | A385-D389 PolarHBondContact O-N 3Å; Q386-D389 PolarHBondContact O-N 2.9Å; D389-F392 PolarHBondContact O-N 3.16Å; D389-L393 WeakPolarHBondContact O-CB 3.44Å; D389-L393 WeakPolarHBondContact O-CG 3.47Å; D389-L393 PolarHBondContact O-N 3.1Å |
| 390 | E | 78 | Confident | 78 | Confident | 136 Ų | 136 | 106.5 Ų | 106.5 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.7 | -46.9 | 176.8 | -169 | 168.7 | -136.4 | 0 | 0 | 112.3 | Q386 F388 F392 L393 S394 | Q386-E390 WeakPolarHBondContact O-CB 3.43Å; Q386-E390 PolarHBondContact O-N 2.97Å; F388-E390 VanDerWaalsContact C-N 3.34Å; E390-F392 VanDerWaalsContact C-N 3.34Å; E390-F392 PolarHBondContact O-N 3.33Å; E390-L393 PolarHBondContact O-N 3.36Å; E390-S394 PolarHBondContact O-N 3.19Å |
| 391 | E | 78.5 | Confident | 78.3 | Confident | 143 Ų | 143 | 106.7 Ų | 106.7 | 67% | 0.668 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.6 | -38.6 | 170.6 | -82.4 | -78.9 | 160.5 | 0 | 0 | 112.3 | K387 S394 R395 | K387-E391 WeakPolarHBondContact O-CB 3.49Å; K387-E391 WeakPolarHBondContact O-CG 3.41Å; K387-E391 PolarHBondContact O-N 3.09Å; E391-S394 PolarHBondContact O-N 2.65Å; E391-R395 VanDerWaalsContact O-CB 3.25Å; E391-R395 WeakPolarHBondContact O-CB 3.48Å; E391-R395 PolarHBondContact O-N 3.06Å |
| 392 | F | 81.3 | Confident | 78.6 | Confident | 118 Ų | 118 | 109.1 Ų | 109.1 | 52% | 0.518 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 178.4 | -176.5 | -95.2 | 0 | 0 | 0 | 112.1 | F388 D389 E390 Q396 | F388-F392 VanDerWaalsContact O-CB 3.24Å; F388-F392 WeakPolarHBondContact O-CB 3.3Å; F388-F392 PolarHBondContact O-N 2.94Å; D389-F392 PolarHBondContact O-N 3.16Å; E390-F392 VanDerWaalsContact C-N 3.34Å; E390-F392 PolarHBondContact O-N 3.33Å; F392-Q396 WeakPolarHBondContact O-CB 3.36Å; F392-Q396 PolarHBondContact O-N 2.92Å |
| 393 | L | 79.8 | Confident | 78.8 | Confident | 102 Ų | 102 | 107 Ų | 107 | 53% | 0.534 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -50.5 | 173 | -76.4 | 165.7 | 0 | 0 | 0 | 111.3 | D389 E390 R395 Q396 E397 | D389-L393 WeakPolarHBondContact O-CB 3.44Å; D389-L393 WeakPolarHBondContact O-CG 3.47Å; D389-L393 PolarHBondContact O-N 3.1Å; E390-L393 PolarHBondContact O-N 3.36Å; L393-R395 VanDerWaalsContact C-N 3.26Å; L393-R395 PolarHBondContact O-N 3.24Å; L393-Q396 WeakPolarHBondContact O-CA 3.48Å; L393-Q396 WeakPolarHBondContact O-CB 3.43Å; L393-Q396 PolarHBondContact O-N 2.79Å; L393-E397 PolarHBondContact O-N 3.29Å |
| 394 | S | 79.2 | Confident | 79.2 | Confident | 71 Ų | 71 | 108.6 Ų | 108.6 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.3 | -40.5 | 178.1 | -171.8 | 0 | 0 | 0 | 0 | 112.1 | E390 E391 Q396 E397 A398 | E390-S394 PolarHBondContact O-N 3.19Å; E391-S394 PolarHBondContact O-N 2.65Å; S394-Q396 PolarHBondContact O-N 2.99Å; S394-E397 PolarHBondContact O-N 3.21Å; S394-A398 WeakPolarHBondContact O-CB 3.44Å; S394-A398 PolarHBondContact O-N 2.62Å |
| 395 | R | 79.5 | Confident | 79.6 | Confident | 173 Ų | 173 | 106 Ų | 106 | 65% | 0.653 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.9 | -33.9 | 175.5 | -170.6 | 173.1 | -175.9 | 81.6 | 2.6 | 113.1 | E391 L393 Q399 | E391-R395 VanDerWaalsContact O-CB 3.25Å; E391-R395 WeakPolarHBondContact O-CB 3.48Å; E391-R395 PolarHBondContact O-N 3.06Å; L393-R395 VanDerWaalsContact C-N 3.26Å; L393-R395 PolarHBondContact O-N 3.24Å; R395-Q399 WeakPolarHBondContact O-CG 3.24Å; R395-Q399 PolarHBondContact O-N 3.03Å; R395-Q399 VanDerWaalsContact O-N 3.11Å |
| 396 | Q | 77.8 | Confident | 79.9 | Confident | 110 Ų | 110 | 110.1 Ų | 110.1 | 51% | 0.514 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.9 | -42.1 | 175 | -169.6 | 175.4 | 120.1 | 0 | 0 | 111.5 | F392 L393 S394 Q399 A400 | F392-Q396 WeakPolarHBondContact O-CB 3.36Å; F392-Q396 PolarHBondContact O-N 2.92Å; L393-Q396 WeakPolarHBondContact O-CA 3.48Å; L393-Q396 WeakPolarHBondContact O-CB 3.43Å; L393-Q396 PolarHBondContact O-N 2.79Å; S394-Q396 PolarHBondContact O-N 2.99Å; Q396-Q399 PolarHBondContact O-N 3.39Å; Q396-A400 PolarHBondContact O-N 3.16Å |
| 397 | E | 79.9 | Confident | 80 | Confident | 124 Ų | 124 | 109.8 Ų | 109.8 | 58% | 0.579 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 173.9 | -68.5 | -172.6 | 163.3 | 0 | 0 | 111.8 | L393 S394 Q399 A400 Q401 | L393-E397 PolarHBondContact O-N 3.29Å; S394-E397 PolarHBondContact O-N 3.21Å; E397-Q399 VanDerWaalsContact C-N 3.29Å; E397-Q399 PolarHBondContact O-N 3Å; E397-A400 PolarHBondContact O-N 3.32Å; E397-A400 VanDerWaalsContact O-N 3.17Å; E397-Q401 WeakPolarHBondContact O-CG 3.49Å; E397-Q401 PolarHBondContact O-N 3.38Å |
| 398 | A | 78.4 | Confident | 80.1 | Confident | 48 Ų | 48 | 108.8 Ų | 108.8 | 40% | 0.397 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.1 | -36.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S394 L402 | S394-A398 WeakPolarHBondContact O-CB 3.44Å; S394-A398 PolarHBondContact O-N 2.62Å; A398-L402 WeakPolarHBondContact O-CB 3.22Å; A398-L402 PolarHBondContact O-N 3.35Å |
| 399 | Q | 77 | Confident | 80 | Confident | 118 Ų | 118 | 106.3 Ų | 106.3 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.5 | -38.8 | 173.4 | -76.7 | -176.4 | -34.4 | 0 | 0 | 112.7 | R395 Q396 E397 L402 A403 | R395-Q399 WeakPolarHBondContact O-CG 3.24Å; R395-Q399 PolarHBondContact O-N 3.03Å; R395-Q399 VanDerWaalsContact O-N 3.11Å; Q396-Q399 PolarHBondContact O-N 3.39Å; E397-Q399 VanDerWaalsContact C-N 3.29Å; E397-Q399 PolarHBondContact O-N 3Å; Q399-L402 PolarHBondContact O-N 3.31Å; Q399-A403 PolarHBondContact O-N 2.89Å |
| 400 | A | 79.5 | Confident | 80.1 | Confident | 65 Ų | 65 | 104.5 Ų | 104.5 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q396 E397 K404 | Q396-A400 PolarHBondContact O-N 3.16Å; E397-A400 PolarHBondContact O-N 3.32Å; E397-A400 VanDerWaalsContact O-N 3.17Å; A400-K404 WeakPolarHBondContact O-CB 3.48Å; A400-K404 PolarHBondContact O-N 3.16Å; A400-K404 VanDerWaalsContact O-N 3.13Å |
| 401 | Q | 80.4 | Confident | 80.2 | Confident | 128 Ų | 128 | 104.1 Ų | 104.1 | 60% | 0.598 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66 | -42.5 | 173.3 | -69.8 | 176.3 | 30.6 | 0 | 0 | 111.8 | E397 K404 C405 | E397-Q401 WeakPolarHBondContact O-CG 3.49Å; E397-Q401 PolarHBondContact O-N 3.38Å; Q401-K404 PolarHBondContact O-N 3.07Å; Q401-C405 PolarHBondContact O-N 2.94Å |
| 402 | L | 78.8 | Confident | 80.3 | Confident | 108 Ų | 108 | 102.1 Ų | 102.1 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.9 | -49.7 | 174 | -92.1 | 166.3 | 0 | 0 | 0 | 112.1 | A398 Q399 K404 C405 E406 | A398-L402 WeakPolarHBondContact O-CB 3.22Å; A398-L402 PolarHBondContact O-N 3.35Å; Q399-L402 PolarHBondContact O-N 3.31Å; L402-K404 VanDerWaalsContact C-N 3.26Å; L402-K404 PolarHBondContact O-N 3.15Å; L402-C405 PolarHBondContact O-N 2.88Å; L402-E406 PolarHBondContact O-N 2.89Å |
| 403 | A | 79.9 | Confident | 80.1 | Confident | 53 Ų | 53 | 101.9 Ų | 101.9 | 44% | 0.438 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.4 | -39.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q399 E406 E407 | Q399-A403 PolarHBondContact O-N 2.89Å; A403-E406 PolarHBondContact O-N 3.22Å; A403-E407 PolarHBondContact O-N 3.3Å |
| 404 | K | 84.6 | Confident | 80 | Confident | 129 Ų | 129 | 99.8 Ų | 99.8 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67 | -36 | 175.3 | -171.6 | 175.7 | -178.5 | 178.9 | 0 | 112.8 | A400 Q401 L402 Q408 | A400-K404 WeakPolarHBondContact O-CB 3.48Å; A400-K404 PolarHBondContact O-N 3.16Å; A400-K404 VanDerWaalsContact O-N 3.13Å; Q401-K404 PolarHBondContact O-N 3.07Å; L402-K404 VanDerWaalsContact C-N 3.26Å; L402-K404 PolarHBondContact O-N 3.15Å; K404-Q408 WeakPolarHBondContact O-CG 3.39Å; K404-Q408 PolarHBondContact O-N 3.05Å; K404-Q408 VanDerWaalsContact O-N 3.08Å |
| 405 | C | 81.4 | Confident | 80 | Confident | 64 Ų | 64 | 102.7 Ų | 102.7 | 43% | 0.432 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.7 | -35.8 | 172.3 | -72.7 | 0 | 0 | 0 | 0 | 112.3 | Q401 L402 Q408 I409 | Q401-C405 PolarHBondContact O-N 2.94Å; L402-C405 PolarHBondContact O-N 2.88Å; C405-Q408 PolarHBondContact O-N 2.95Å; C405-I409 WeakPolarHBondContact O-CB 3.49Å; C405-I409 WeakPolarHBondContact O-CD1 3.39Å; C405-I409 WeakPolarHBondContact O-CG1 3.26Å; C405-I409 PolarHBondContact O-N 3.01Å |
| 406 | E | 82.5 | Confident | 79.6 | Confident | 133 Ų | 133 | 100.1 Ų | 100.1 | 62% | 0.621 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.8 | -39.8 | 173.3 | -71 | -177.4 | 152.5 | 0 | 0 | 111.7 | L402 A403 I409 A410 | L402-E406 PolarHBondContact O-N 2.89Å; A403-E406 PolarHBondContact O-N 3.22Å; E406-I409 PolarHBondContact O-N 2.74Å; E406-A410 WeakPolarHBondContact O-CB 3.39Å; E406-A410 PolarHBondContact O-N 3.44Å |
| 407 | E | 82.8 | Confident | 79.3 | Confident | 130 Ų | 130 | 101.4 Ų | 101.4 | 61% | 0.607 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.4 | -47.6 | 173 | -172.2 | 170.1 | -137.5 | 0 | 0 | 111.7 | A403 I409 A410 E411 | A403-E407 PolarHBondContact O-N 3.3Å; E407-I409 VanDerWaalsContact C-N 3.33Å; E407-I409 PolarHBondContact O-N 3.23Å; E407-A410 WeakPolarHBondContact O-CB 3.46Å; E407-A410 PolarHBondContact O-N 3.44Å; E407-A410 VanDerWaalsContact O-N 3.08Å; E407-E411 PolarHBondContact O-N 2.85Å |
| 408 | Q | 81.7 | Confident | 78.8 | Confident | 94 Ų | 94 | 98 Ų | 98 | 44% | 0.439 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -36 | 174.8 | -72.9 | 178.8 | -26.7 | 0 | 0 | 113.1 | K404 C405 A410 L412 | K404-Q408 WeakPolarHBondContact O-CG 3.39Å; K404-Q408 PolarHBondContact O-N 3.05Å; K404-Q408 VanDerWaalsContact O-N 3.08Å; C405-Q408 PolarHBondContact O-N 2.95Å; Q408-A410 VanDerWaalsContact C-N 3.33Å; Q408-L412 WeakPolarHBondContact O-CB 3.41Å; Q408-L412 VanDerWaalsContact O-CG 3.3Å; Q408-L412 WeakPolarHBondContact O-CG 3.49Å; Q408-L412 PolarHBondContact O-N 2.92Å |
| 409 | I | 79.8 | Confident | 78.4 | Confident | 91 Ų | 91 | 102.1 Ų | 102.1 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.2 | -36.7 | 173.6 | -72.1 | 164.1 | 0 | 0 | 0 | 110.6 | C405 E406 E407 Q413 | C405-I409 WeakPolarHBondContact O-CB 3.49Å; C405-I409 WeakPolarHBondContact O-CD1 3.39Å; C405-I409 WeakPolarHBondContact O-CG1 3.26Å; C405-I409 PolarHBondContact O-N 3.01Å; E406-I409 PolarHBondContact O-N 2.74Å; E407-I409 VanDerWaalsContact C-N 3.33Å; E407-I409 PolarHBondContact O-N 3.23Å; I409-Q413 HydrophobicContact CG2-CG 4.48Å; I409-Q413 WeakPolarHBondContact O-CB 3.43Å; I409-Q413 VanDerWaalsContact O-CG 3.24Å; I409-Q413 WeakPolarHBondContact O-CG 3.5Å; I409-Q413 PolarHBondContact O-N 2.95Å |
| 410 | A | 81.6 | Confident | 77.9 | Confident | 57 Ų | 57 | 106.5 Ų | 106.5 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.9 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E406 E407 Q408 Q413 A414 | E406-A410 WeakPolarHBondContact O-CB 3.39Å; E406-A410 PolarHBondContact O-N 3.44Å; E407-A410 WeakPolarHBondContact O-CB 3.46Å; E407-A410 PolarHBondContact O-N 3.44Å; E407-A410 VanDerWaalsContact O-N 3.08Å; Q408-A410 VanDerWaalsContact C-N 3.33Å; A410-Q413 PolarHBondContact O-N 2.95Å; A410-A414 WeakPolarHBondContact O-CB 3.27Å; A410-A414 PolarHBondContact O-N 3.07Å |
| 411 | E | 81.1 | Confident | 77.2 | Confident | 127 Ų | 127 | 108.3 Ų | 108.3 | 59% | 0.593 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.4 | -50.7 | 172.5 | -71 | -171.5 | 129.4 | 0 | 0 | 111.3 | E407 Q413 A414 E415 | E407-E411 PolarHBondContact O-N 2.85Å; E411-Q413 VanDerWaalsContact C-N 3.29Å; E411-Q413 PolarHBondContact O-N 3.43Å; E411-A414 WeakPolarHBondContact O-CA 3.33Å; E411-A414 WeakPolarHBondContact O-CB 3.49Å; E411-A414 PolarHBondContact O-N 3.47Å; E411-E415 PolarHBondContact O-N 3.42Å |
| 412 | L | 80.2 | Confident | 76.4 | Confident | 101 Ų | 101 | 109.7 Ų | 109.7 | 53% | 0.529 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.4 | -32.7 | 178.1 | -70.9 | 168.6 | 0 | 0 | 0 | 112.7 | Q408 L416 | Q408-L412 WeakPolarHBondContact O-CB 3.41Å; Q408-L412 VanDerWaalsContact O-CG 3.3Å; Q408-L412 WeakPolarHBondContact O-CG 3.49Å; Q408-L412 PolarHBondContact O-N 2.92Å; L412-L416 WeakPolarHBondContact O-CB 3.38Å; L412-L416 VanDerWaalsContact O-CG 3.26Å; L412-L416 WeakPolarHBondContact O-CG 3.47Å; L412-L416 PolarHBondContact O-N 3.48Å |
| 413 | Q | 75.7 | Confident | 75.2 | Confident | 114 Ų | 114 | 110.7 Ų | 110.7 | 53% | 0.533 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.2 | -36.2 | 171.9 | -77.2 | -179.1 | 24.7 | 0 | 0 | 112.4 | I409 A410 E411 L416 Q417 | I409-Q413 HydrophobicContact CG2-CG 4.48Å; I409-Q413 WeakPolarHBondContact O-CB 3.43Å; I409-Q413 VanDerWaalsContact O-CG 3.24Å; I409-Q413 WeakPolarHBondContact O-CG 3.5Å; I409-Q413 PolarHBondContact O-N 2.95Å; A410-Q413 PolarHBondContact O-N 2.95Å; E411-Q413 VanDerWaalsContact C-N 3.29Å; E411-Q413 PolarHBondContact O-N 3.43Å; Q413-L416 PolarHBondContact O-N 3.04Å; Q413-Q417 WeakPolarHBondContact O-CG 3.34Å; Q413-Q417 PolarHBondContact O-N 3.13Å |
| 414 | A | 78.8 | Confident | 73.4 | Confident | 58 Ų | 58 | 112.1 Ų | 112.1 | 48% | 0.479 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.4 | -42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A410 E411 Q417 A418 | A410-A414 WeakPolarHBondContact O-CB 3.27Å; A410-A414 PolarHBondContact O-N 3.07Å; E411-A414 WeakPolarHBondContact O-CA 3.33Å; E411-A414 WeakPolarHBondContact O-CB 3.49Å; E411-A414 PolarHBondContact O-N 3.47Å; A414-Q417 PolarHBondContact O-N 2.62Å; A414-A418 PolarHBondContact O-N 2.9Å |
| 415 | E | 78.5 | Confident | 71.8 | Confident | 132 Ų | 132 | 111.1 Ų | 111.1 | 62% | 0.617 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.2 | -45.5 | 171.7 | -71.5 | -162.5 | 139.1 | 0 | 0 | 111.7 | E411 Q417 A418 F419 | E411-E415 PolarHBondContact O-N 3.42Å; E415-Q417 VanDerWaalsContact C-N 3.3Å; E415-Q417 PolarHBondContact O-N 3.43Å; E415-A418 PolarHBondContact O-N 3.07Å; E415-F419 WeakPolarHBondContact O-CB 3.39Å; E415-F419 PolarHBondContact O-N 3.33Å |
| 416 | L | 72.3 | Confident | 69.9 | Low | 119 Ų | 119 | 114.3 Ų | 114.3 | 62% | 0.623 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.8 | -33.6 | 175.8 | -77.2 | 169.7 | 0 | 0 | 0 | 113 | L412 Q413 R420 | L412-L416 WeakPolarHBondContact O-CB 3.38Å; L412-L416 VanDerWaalsContact O-CG 3.26Å; L412-L416 WeakPolarHBondContact O-CG 3.47Å; L412-L416 PolarHBondContact O-N 3.48Å; Q413-L416 PolarHBondContact O-N 3.04Å; L416-R420 WeakPolarHBondContact O-CB 3.21Å; L416-R420 PolarHBondContact O-N 2.63Å |
| 417 | Q | 69.7 | Low | 68.3 | Low | 137 Ų | 137 | 113.9 Ų | 113.9 | 64% | 0.64 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.6 | -40.4 | 172 | -76.6 | -171.4 | 7.7 | 0 | 0 | 112.4 | Q413 A414 E415 R420 S421 | Q413-Q417 WeakPolarHBondContact O-CG 3.34Å; Q413-Q417 PolarHBondContact O-N 3.13Å; A414-Q417 PolarHBondContact O-N 2.62Å; E415-Q417 VanDerWaalsContact C-N 3.3Å; E415-Q417 PolarHBondContact O-N 3.43Å; Q417-R420 PolarHBondContact O-N 3.46Å; Q417-S421 WeakPolarHBondContact O-CB 3.48Å; Q417-S421 PolarHBondContact O-N 2.99Å; Q417-S421 PolarHBondContact O-OG 3.43Å |
| 418 | A | 70.6 | Confident | 66.3 | Low | 53 Ų | 53 | 112.9 Ų | 112.9 | 44% | 0.438 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.2 | -42.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A414 E415 S421 Q422 | A414-A418 PolarHBondContact O-N 2.9Å; E415-A418 PolarHBondContact O-N 3.07Å; A418-S421 WeakPolarHBondContact O-CA 3.45Å; A418-S421 WeakPolarHBondContact O-CB 3.34Å; A418-S421 PolarHBondContact O-N 2.95Å; A418-Q422 PolarHBondContact O-N 3.22Å |
| 419 | F | 69.9 | Low | 63.8 | Low | 133 Ų | 133 | 111.7 Ų | 111.7 | 58% | 0.583 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63.4 | -42.6 | 176 | -149.9 | -86.7 | 0 | 0 | 0 | 111.7 | E415 S421 Q422 F423 | E415-F419 WeakPolarHBondContact O-CB 3.39Å; E415-F419 PolarHBondContact O-N 3.33Å; F419-S421 PolarHBondContact O-N 3.02Å; F419-Q422 PolarHBondContact O-N 3.44Å; F419-F423 HydrophobicContact CD1-CD2 4.12Å; F419-F423 AromaticContact CE1-CD2 3.91Å; F419-F423 HydrophobicContact CE1-CD2 3.91Å; F419-F423 HydrophobicContact CE1-CE2 4.12Å; F419-F423 HydrophobicContact CZ-CD2 4.38Å; F419-F423 HydrophobicContact CZ-CE2 4.13Å; F419-F423 PolarHBondContact O-N 3.13Å; F419-F423 VanDerWaalsContact O-N 3.16Å |
| 420 | R | 65.9 | Low | 61.6 | Low | 211 Ų | 211 | 115 Ų | 115 | 80% | 0.796 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -64.3 | -15.8 | 169.8 | -99.1 | -174.6 | 168.7 | -173.4 | -1 | 114.9 | L416 Q417 F423 | L416-R420 WeakPolarHBondContact O-CB 3.21Å; L416-R420 PolarHBondContact O-N 2.63Å; Q417-R420 PolarHBondContact O-N 3.46Å; R420-F423 VanDerWaalsContact O-O 3.1Å |
| 421 | S | 64.4 | Low | 59.1 | Low | 103 Ų | 103 | 118.2 Ų | 118.2 | 72% | 0.72 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -94.2 | -23 | 178.2 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | Q417 A418 F419 | Q417-S421 WeakPolarHBondContact O-CB 3.48Å; Q417-S421 PolarHBondContact O-N 2.99Å; Q417-S421 PolarHBondContact O-OG 3.43Å; A418-S421 WeakPolarHBondContact O-CA 3.45Å; A418-S421 WeakPolarHBondContact O-CB 3.34Å; A418-S421 PolarHBondContact O-N 2.95Å; F419-S421 PolarHBondContact O-N 3.02Å |
| 422 | Q | 63.4 | Low | 56.8 | Low | 157 Ų | 157 | 117.9 Ų | 117.9 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -83.8 | -29.8 | 171.5 | -70.5 | -172.7 | -8 | 0 | 0 | 113.1 | A418 F419 | A418-Q422 PolarHBondContact O-N 3.22Å; F419-Q422 PolarHBondContact O-N 3.44Å |
| 423 | F | 54.9 | Low | 54.4 | Low | 129 Ų | 129 | 117.6 Ų | 117.6 | 57% | 0.566 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -116.9 | 121.1 | 179.1 | -65.5 | -82.8 | 0 | 0 | 0 | 111.7 | F419 R420 | F419-F423 HydrophobicContact CD1-CD2 4.12Å; F419-F423 AromaticContact CE1-CD2 3.91Å; F419-F423 HydrophobicContact CE1-CD2 3.91Å; F419-F423 HydrophobicContact CE1-CE2 4.12Å; F419-F423 HydrophobicContact CZ-CD2 4.38Å; F419-F423 HydrophobicContact CZ-CE2 4.13Å; F419-F423 PolarHBondContact O-N 3.13Å; F419-F423 VanDerWaalsContact O-N 3.16Å; R420-F423 VanDerWaalsContact O-O 3.1Å |
| 424 | G | 42.7 | Very low | 52.4 | Low | 83 Ų | 83 | 121.9 Ų | 121.9 | 86% | 0.856 | 72% | 0.721 | S | S | * | * | trans | -58.3 | 151.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 425 | S | 50.3 | Low | 50 | Low | 107 Ų | 107 | 124.2 Ų | 124.2 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | -94 | -171.6 | -169.1 | 63.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 426 | V | 41.5 | Very low | 47.6 | Very low | 131 Ų | 131 | 121.4 Ų | 121.4 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | 97.7 | 141.1 | 172.3 | -177.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 427 | P | 49.5 | Very low | 45.5 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | cis | -112.5 | -170.7 | -5.2 | 25.4 | -3.9 | 0 | 0 | 0 | 114 | ||||
| 428 | A | 39.7 | Very low | 43.5 | Very low | 109 Ų | 109 | 121.5 Ų | 121.5 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | trans | -119.6 | 164.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 429 | G | 29.2 | Very low | 41.8 | Very low | 70 Ų | 70 | 124.1 Ų | 124.1 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 176.3 | 140.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 430 | L | 32.9 | Very low | 40.6 | Very low | 161 Ų | 161 | 123.6 Ų | 123.6 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | cis | -146.1 | 156.8 | 0.2 | -89.2 | 159.5 | 0 | 0 | 0 | 110.2 | ||||
| 431 | T | 30.6 | Very low | 38.9 | Very low | 123 Ų | 123 | 118.7 Ų | 118.7 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 25.3 | 117.7 | 155.8 | 57 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 432 | S | 32 | Very low | 38.7 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | 77.5 | 94.4 | 59.1 | 177.9 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 433 | A | 30.5 | Very low | 36.9 | Very low | 95 Ų | 95 | 116.1 Ų | 116.1 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -165.8 | 109.3 | 138.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 434 | K | 32.1 | Very low | 35.7 | Very low | 203 Ų | 203 | 120 Ų | 120 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | 64.9 | 98.5 | 88.6 | -99.7 | -170.1 | 175.6 | -177.1 | 0 | 116.2 | |||||
| 435 | A | 29.4 | Very low | 35 | Very low | 108 Ų | 108 | 120.1 Ų | 120.1 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | 39.9 | 134.3 | 127.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 436 | G | 27 | Very low | 33.9 | Very low | 72 Ų | 72 | 120 Ų | 120 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 161.7 | 93 | 158.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 437 | T | 30.1 | Very low | 33.5 | Very low | 140 Ų | 140 | 120.2 Ų | 120.2 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -25.8 | 133.1 | 150.6 | 48.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 438 | S | 27.3 | Very low | 33.7 | Very low | 119 Ų | 119 | 119.5 Ų | 119.5 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | 170.2 | 143.5 | 110.5 | 47.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 439 | S | 35 | Very low | 34 | Very low | 108 Ų | 108 | 120.3 Ų | 120.3 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -82.2 | 160 | 150.6 | 46.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 440 | P | 44.1 | Very low | 34.1 | Very low | 122 Ų | 122 | 122.2 Ų | 122.2 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | cis | -145.4 | -171.7 | 37.7 | 41.5 | -20 | 0 | 0 | 0 | 117.1 | ||||
| 441 | S | 31.1 | Very low | 34.1 | Very low | 108 Ų | 108 | 120.8 Ų | 120.8 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -67.7 | -173.9 | 165.1 | -23.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 442 | P | 59.1 | Low | 34 | Very low | 122 Ų | 122 | 118 Ų | 118 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | cis | -134.3 | -166.9 | -10.2 | 39.6 | -20.8 | 0 | 0 | 0 | 113.7 | ||||
| 443 | A | 26.6 | Very low | 33.9 | Very low | 83 Ų | 83 | 118.9 Ų | 118.9 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | trans | 138.3 | 121.4 | 132.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 444 | F | 28.5 | Very low | 33.9 | Very low | 210 Ų | 210 | 117.4 Ų | 117.4 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | 33.3 | 127 | 139.8 | -66.7 | -85.1 | 0 | 0 | 0 | 124.3 | ||||
| 445 | A | 28.4 | Very low | 33.9 | Very low | 86 Ų | 86 | 113.9 Ų | 113.9 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | 144.2 | 147.7 | 107.7 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 446 | S | 27.9 | Very low | 33.9 | Very low | 106 Ų | 106 | 112.4 Ų | 112.4 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | 45.8 | 121.2 | 154.1 | 50 | 0 | 0 | 0 | 0 | 121 | ||||
| 447 | V | 32.3 | Very low | 34.3 | Very low | 134 Ų | 134 | 115.9 Ų | 115.9 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | cis | 68.7 | 130.8 | 38.8 | -171.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 448 | P | 53.7 | Low | 34.7 | Very low | 110 Ų | 110 | 114.7 Ų | 114.7 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | cis | -124.3 | -146.6 | -24.4 | 40.7 | -19.8 | 0 | 0 | 0 | 110.8 | ||||
| 449 | P | 46 | Very low | 35.2 | Very low | 126 Ų | 126 | 114.5 Ų | 114.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | cis | -138.3 | 164.1 | 48.9 | 38.3 | -16.9 | 0 | 0 | 0 | 118.9 | ||||
| 450 | S | 31.5 | Very low | 35.6 | Very low | 110 Ų | 110 | 115.1 Ų | 115.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -50.7 | 146.8 | -177.5 | -41.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 451 | S | 32.4 | Very low | 36 | Very low | 131 Ų | 131 | 115 Ų | 115 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | 166.3 | 144.1 | 129 | -73.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 452 | G | 29 | Very low | 36.9 | Very low | 65 Ų | 65 | 115.4 Ų | 115.4 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | cis | 165.2 | 134.6 | -8.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 453 | S | 30.6 | Very low | 36.4 | Very low | 138 Ų | 138 | 115.3 Ų | 115.3 | 97% | 0.965 | 79% | 0.79 | S | S | * | * | trans | 73.7 | 148.8 | -172.2 | -36.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 454 | G | 28.6 | Very low | 37.9 | Very low | 65 Ų | 65 | 116.9 Ų | 116.9 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | cis | 173 | 165 | -8.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 455 | S | 32.7 | Very low | 39.1 | Very low | 129 Ų | 129 | 112.5 Ų | 112.5 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | 71.9 | 127.9 | 171.4 | 74.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 456 | G | 29.6 | Very low | 40.1 | Very low | 77 Ų | 77 | 114 Ų | 114 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | 69.9 | 84 | 128 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 457 | V | 35.5 | Very low | 41.3 | Very low | 145 Ų | 145 | 114.5 Ų | 114.5 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 124.6 | 156.1 | -172.2 | 0 | 0 | 0 | 0 | 108.9 | ||
| 458 | P | 39.6 | Very low | 42.2 | Very low | 115 Ų | 115 | 113.7 Ų | 113.7 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 148.8 | 176.9 | 32.4 | -34 | 0 | 0 | 0 | 112.4 | ||
| 459 | C | 37.2 | Very low | 41.8 | Very low | 115 Ų | 115 | 114.3 Ų | 114.3 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 154.4 | 170.1 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 460 | P | 44.1 | Very low | 42 | Very low | 121 Ų | 121 | 114 Ų | 114 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 144.8 | 168.7 | 29 | -35 | 0 | 0 | 0 | 111.4 | ||
| 461 | P | 52.5 | Low | 42.7 | Very low | 118 Ų | 118 | 114.4 Ų | 114.4 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 156.5 | 177.6 | 31.3 | -35.3 | 0 | 0 | 0 | 112.5 | ||
| 462 | P | 48.9 | Very low | 43 | Very low | 117 Ų | 117 | 114.1 Ų | 114.1 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 154.3 | 177.2 | 31.3 | -35.9 | 0 | 0 | 0 | 112.6 | ||
| 463 | P | 49.6 | Very low | 43.4 | Very low | 121 Ų | 121 | 119.3 Ų | 119.3 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 148 | 179.3 | 29.7 | -35.5 | 0 | 0 | 0 | 112.9 | ||
| 464 | P | 57.7 | Low | 44 | Very low | 116 Ų | 116 | 118.8 Ų | 118.8 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 157.3 | 177.8 | 31.7 | -35.7 | 0 | 0 | 0 | 112.9 | ||
| 465 | P | 52.3 | Low | 44.3 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 153.1 | 177.4 | 31.1 | -35.8 | 0 | 0 | 0 | 112.8 | ||
| 466 | P | 49.6 | Very low | 44.4 | Very low | 119 Ų | 119 | 119.5 Ų | 119.5 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 148 | -176.9 | 30.3 | -35.8 | 0 | 0 | 0 | 113.4 | ||
| 467 | P | 54.1 | Low | 45.1 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 157.5 | 175.5 | 32.4 | -35.6 | 0 | 0 | 0 | 113 | ||
| 468 | P | 50.8 | Low | 45.1 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 153.3 | 178.8 | 31.7 | -35.8 | 0 | 0 | 0 | 113.2 | ||
| 469 | P | 46.4 | Very low | 45 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 147.6 | -175.4 | 31.8 | -36 | 0 | 0 | 0 | 114 | ||
| 470 | P | 49.4 | Very low | 45.5 | Very low | 119 Ų | 119 | 119.4 Ų | 119.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -82 | 156 | 173.5 | 33.8 | -35.1 | 0 | 0 | 0 | 113.1 | ||
| 471 | P | 46.6 | Very low | 45.2 | Very low | 119 Ų | 119 | 119 Ų | 119 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 157.4 | 177.4 | 33.8 | -35.7 | 0 | 0 | 0 | 113.5 | ||
| 472 | P | 37.5 | Very low | 44.7 | Very low | 126 Ų | 126 | 119 Ų | 119 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 155.1 | -174.5 | 34.1 | -36.5 | 0 | 0 | 0 | 114.8 | ||
| 473 | L | 39 | Very low | 44.3 | Very low | 174 Ų | 174 | 119.6 Ų | 119.6 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | -136 | 129.1 | 172.1 | -89.4 | 168.6 | 0 | 0 | 0 | 110.8 | ||||
| 474 | P | 43.4 | Very low | 43.4 | Very low | 127 Ų | 127 | 117.5 Ų | 117.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -121.2 | 141.9 | 174.5 | 37.3 | -26.1 | 0 | 0 | 0 | 114.8 | ||||
| 475 | G | 34.1 | Very low | 42.7 | Very low | 78 Ų | 78 | 121 Ų | 121 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 107.5 | 109 | 146.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 476 | C | 34.7 | Very low | 41.9 | Very low | 130 Ų | 130 | 120.6 Ų | 120.6 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | -116.4 | 168.2 | 147.9 | -70.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 477 | P | 45.1 | Very low | 41.5 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | cis | -139.4 | -154.9 | 32.5 | 45.3 | -24.5 | 0 | 0 | 0 | 112.2 | ||||
| 478 | P | 35.6 | Very low | 40.9 | Very low | 124 Ų | 124 | 120.4 Ų | 120.4 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | cis | -127.7 | -178.7 | -8.7 | 41.5 | -24.2 | 0 | 0 | 0 | 116.1 | ||||
| 479 | A | 36.4 | Very low | 40.1 | Very low | 90 Ų | 90 | 125.1 Ų | 125.1 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | trans | -102.3 | -167.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 480 | P | 48.6 | Very low | 39.3 | Very low | 118 Ų | 118 | 123 Ų | 123 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | cis | -107.2 | -151.3 | 10.4 | 45.4 | -33.3 | 0 | 0 | 0 | 111 | ||||
| 481 | P | 35.9 | Very low | 38.6 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | cis | -134.4 | 174.5 | -1 | 42.7 | -24.4 | 0 | 0 | 0 | 118.1 | ||||
| 482 | P | 42.4 | Very low | 38 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -94.4 | -177.7 | 172.4 | 41.1 | -38.1 | 0 | 0 | 0 | 112.6 | ||||
| 483 | P | 40.5 | Very low | 38 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | cis | -131.3 | 174 | 4.6 | 42.6 | -27.2 | 0 | 0 | 0 | 116.1 | ||||
| 484 | G | 31.1 | Very low | 38 | Very low | 76 Ų | 76 | 120.5 Ų | 120.5 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | 170.7 | 124.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 485 | M | 43.5 | Very low | 37.8 | Very low | 189 Ų | 189 | 120.2 Ų | 120.2 | 93% | 0.931 | 79% | 0.793 | S | S | * | * | trans | -123.5 | 126.1 | -173.2 | -171.3 | 164 | 64 | 0 | 0 | 111.5 | ||||
| 486 | P | 34.6 | Very low | 38.1 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | trans | -121.4 | 149.1 | 163.4 | 36.7 | -26.2 | 0 | 0 | 0 | 113.2 | ||||
| 487 | P | 42.3 | Very low | 38.5 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -96.1 | -163.2 | 179.3 | 46.2 | -40.9 | 0 | 0 | 0 | 110.4 | ||||
| 488 | P | 41.8 | Very low | 38.2 | Very low | 110 Ų | 110 | 121 Ų | 121 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | -113.2 | 167.3 | -118.9 | 7.4 | 19.1 | 0 | 0 | 0 | 115.7 | |||||
| 489 | F | 33.6 | Very low | 38.2 | Very low | 215 Ų | 215 | 124.9 Ų | 124.9 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | trans | 22 | 112 | 156.5 | -65.9 | -80.1 | 0 | 0 | 0 | 119.6 | ||||
| 490 | G | 28.6 | Very low | 37.9 | Very low | 77 Ų | 77 | 125.2 Ų | 125.2 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -153.2 | 128.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 491 | V | 35.5 | Very low | 37 | Very low | 136 Ų | 136 | 123.7 Ų | 123.7 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -26.2 | 146.3 | 176.6 | -71.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 492 | P | 33.6 | Very low | 36.7 | Very low | 121 Ų | 121 | 122 Ų | 122 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 138.1 | 162.4 | 32.4 | -32.9 | 0 | 0 | 0 | 111.3 | ||
| 493 | P | 37.2 | Very low | 36.4 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 158.3 | -179.7 | 30.7 | -35.3 | 0 | 0 | 0 | 113.5 | ||
| 494 | P | 40 | Very low | 35.9 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 161.5 | -176.1 | 32.7 | -36.9 | 0 | 0 | 0 | 114.1 | ||
| 495 | P | 39.8 | Very low | 36.1 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 136.2 | 177.9 | 31 | -34.6 | 0 | 0 | 0 | 112.7 | ||
| 496 | P | 40 | Very low | 35.8 | Very low | 120 Ų | 120 | 123 Ų | 123 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 147 | 171.2 | -17.6 | 31.8 | 0 | 0 | 0 | 112.9 | ||
| 497 | P | 41.7 | Very low | 36 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 155.3 | 170.2 | 33.3 | -35.1 | 0 | 0 | 0 | 111.5 | ||
| 498 | A | 39.3 | Very low | 36 | Very low | 92 Ų | 92 | 125.7 Ų | 125.7 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 129.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 499 | F | 35.1 | Very low | 36.3 | Very low | 207 Ų | 207 | 128.6 Ų | 128.6 | 91% | 0.908 | 81% | 0.81 | S | S | * | * | -171.1 | 157.1 | 123.6 | -121.8 | -88.4 | 0 | 0 | 0 | 113.3 | |||||
| 500 | A | 30.9 | Very low | 37.5 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | 60.7 | 114 | 156.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 501 | G | 29.3 | Very low | 39.5 | Very low | 85 Ų | 85 | 124.1 Ų | 124.1 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | trans | 129.2 | 128.6 | 133.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 502 | G | 30.5 | Very low | 41.1 | Very low | 79 Ų | 79 | 119.7 Ų | 119.7 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | trans | 112.8 | 125.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 503 | F | 36.6 | Very low | 43 | Very low | 229 Ų | 229 | 118.2 Ų | 118.2 | 100% | 1.004 | 74% | 0.738 | S | S | * | * | trans | -69.1 | 137.6 | 173.1 | -76.9 | -109.1 | 0 | 0 | 0 | 111.4 | ||||
| 504 | G | 30.2 | Very low | 44.5 | Very low | 75 Ų | 75 | 120.4 Ų | 120.4 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | trans | -158.9 | 131.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 505 | S | 33.4 | Very low | 46.2 | Very low | 109 Ų | 109 | 116.2 Ų | 116.2 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | trans | -67.5 | 150.3 | 177.4 | -50.8 | 0 | 0 | 0 | 0 | 111.5 | T507 | S505-T507 PolarHBondContact O-N 3Š| ||
| 506 | P | 39.2 | Very low | 47.8 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | trans | -69 | 102.3 | 177.3 | 28.5 | -34.2 | 0 | 0 | 0 | 110.8 | H508 | P506-H508 PolarHBondContact O-N 3.31Š| ||
| 507 | T | 37.8 | Very low | 49.7 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 69% | 0.693 | 71% | 0.714 | S | S | * | * | trans | -67.8 | 114.2 | 165.4 | 37.7 | 0 | 0 | 0 | 0 | 108.8 | S505 H509 | S505-T507 PolarHBondContact O-N 3Å; T507-H509 PolarHBondContact O-N 3.02Å; T507-H509 VanDerWaalsContact O-N 3.07Å | ||
| 508 | H | 42.2 | Very low | 51.6 | Low | 175 Ų | 175 | 119.8 Ų | 119.8 | 81% | 0.81 | 70% | 0.698 | S | S | * | * | trans | -60.6 | 114.1 | 172.3 | -90.5 | -115.4 | 0 | 0 | 0 | 109.4 | P506 T510 | P506-H508 PolarHBondContact O-N 3.31Å; H508-T510 VanDerWaalsContact C-N 3.34Å; H508-T510 PolarHBondContact O-N 3.06Å | ||
| 509 | H | 49 | Very low | 53.7 | Low | 171 Ų | 171 | 120.1 Ų | 120.1 | 79% | 0.792 | 68% | 0.683 | S | S | * | * | trans | -70.7 | 92.6 | 166.4 | -60.1 | -55.9 | 0 | 0 | 0 | 108.6 | T507 L511 | T507-H509 PolarHBondContact O-N 3.02Å; T507-H509 VanDerWaalsContact O-N 3.07Å; H509-L511 PolarHBondContact O-N 2.86Å | ||
| 510 | T | 57.8 | Low | 55.9 | Low | 136 Ų | 136 | 117.1 Ų | 117.1 | 83% | 0.834 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 123.6 | 168.8 | 21.7 | 0 | 0 | 0 | 0 | 109.3 | H508 | H508-T510 VanDerWaalsContact C-N 3.34Å; H508-T510 PolarHBondContact O-N 3.06Å |
| 511 | L | 71.1 | Confident | 58.5 | Low | 62 Ų | 62 | 117 Ų | 117 | 33% | 0.325 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -76.5 | 151.8 | 172 | -66.1 | 168.5 | 0 | 0 | 0 | 109.2 | H509 L515 P517 P537 | H509-L511 PolarHBondContact O-N 2.86Å; L511-L515 HydrophobicContact CB-CB 3.86Å; L511-L515 WeakPolarHBondContact CB-O 3.17Å; L511-L515 HydrophobicContact CD1-CB 4.38Å; L511-L515 WeakPolarHBondContact CD1-O 3.43Å; L511-P517 HydrophobicContact CD1-CG 4.29Å; L511-P537 HydrophobicContact CD2-CB 4.37Å; L511-P537 HydrophobicContact CD2-CG 4.23Å |
| 512 | P | 69.5 | Low | 60.8 | Low | 43 Ų | 43 | 120.5 Ų | 120.5 | 28% | 0.279 | 64% | 0.644 | S | S | . | * | G | 310 helix | trans | -58.9 | 152.8 | 176 | -24.7 | 35.6 | 0 | 0 | 0 | 112.9 | D514 L515 | P512-D514 VanDerWaalsContact C-N 3.33Å; P512-D514 PolarHBondContact O-N 3.38Å; P512-L515 VanDerWaalsContact O-CB 3.26Å; P512-L515 WeakPolarHBondContact O-CB 3.46Å; P512-L515 WeakPolarHBondContact O-CD1 3.29Å; P512-L515 VanDerWaalsContact O-CG 3.23Å; P512-L515 WeakPolarHBondContact O-CG 3.38Å; P512-L515 PolarHBondContact O-N 3.47Å; P512-L515 VanDerWaalsContact O-N 3.14Å |
| 513 | F | 73.6 | Confident | 62.9 | Low | 90 Ų | 90 | 120.4 Ų | 120.4 | 40% | 0.395 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | 53 | 42 | 168.6 | -41 | -68 | 0 | 0 | 0 | 114.8 | L515 M540 E542 V547 | F513-L515 PolarHBondContact O-N 3Å; F513-M540 WeakPolarHBondContact CE2-O 3.32Å; F513-E542 HydrophobicContact CD1-CB 3.7Å; F513-E542 HydrophobicContact CD1-CG 3.86Å; F513-E542 HydrophobicContact CE1-CB 3.75Å; F513-E542 HydrophobicContact CE1-CG 4.32Å; F513-E542 HydrophobicContact CG-CB 4.38Å; F513-E542 HydrophobicContact CZ-CB 4.46Å; F513-V547 HydrophobicContact CB-CG1 3.95Å; F513-V547 HydrophobicContact CB-CG2 4.45Å; F513-V547 HydrophobicContact CD2-CG2 4.5Å |
| 514 | D | 68.1 | Low | 64.6 | Low | 162 Ų | 162 | 119.4 Ų | 119.4 | 87% | 0.866 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | 53.1 | 20.5 | -178.1 | -68.4 | -32.1 | 0 | 0 | 0 | 115.7 | P512 R516 | P512-D514 VanDerWaalsContact C-N 3.33Å; P512-D514 PolarHBondContact O-N 3.38Å; D514-R516 PolarHBondContact O-N 3.41Å |
| 515 | L | 75 | Confident | 66.6 | Low | 25 Ų | 25 | 118.3 Ų | 118.3 | 13% | 0.131 | 61% | 0.608 | C | S | . | * | P | Polyproline II helix | trans | -55.6 | 121.8 | 175.3 | -78.3 | 171.8 | 0 | 0 | 0 | 110.9 | L511 P512 F513 P537 M540 V547 | L511-L515 HydrophobicContact CB-CB 3.86Å; L511-L515 WeakPolarHBondContact CB-O 3.17Å; L511-L515 HydrophobicContact CD1-CB 4.38Å; L511-L515 WeakPolarHBondContact CD1-O 3.43Å; P512-L515 VanDerWaalsContact O-CB 3.26Å; P512-L515 WeakPolarHBondContact O-CB 3.46Å; P512-L515 WeakPolarHBondContact O-CD1 3.29Å; P512-L515 VanDerWaalsContact O-CG 3.23Å; P512-L515 WeakPolarHBondContact O-CG 3.38Å; P512-L515 PolarHBondContact O-N 3.47Å; P512-L515 VanDerWaalsContact O-N 3.14Å; F513-L515 PolarHBondContact O-N 3Å; L515-P537 HydrophobicContact CD1-CB 4.19Å; L515-M540 HydrophobicContact CD1-SD 4.22Å; L515-V547 HydrophobicContact CD2-CG1 4.46Å |
| 516 | R | 74.7 | Confident | 68.6 | Low | 216 Ų | 216 | 117 Ų | 117 | 82% | 0.815 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 145.1 | 173.7 | -63.1 | -179.2 | -176 | 171.4 | 2.4 | 110.4 | D514 K518 | D514-R516 PolarHBondContact O-N 3.41Å; R516-K518 PolarHBondContact O-N 2.96Å; R516-K518 VanDerWaalsContact O-N 3.16Å |
| 517 | P | 77.9 | Confident | 70.6 | Confident | 114 Ų | 114 | 113.9 Ų | 113.9 | 74% | 0.74 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 121.1 | 169.8 | -25.7 | 35.2 | 0 | 0 | 0 | 110.9 | L511 | L511-P517 HydrophobicContact CD1-CG 4.29Š|
| 518 | K | 82.3 | Confident | 72.5 | Confident | 116 Ų | 116 | 115.5 Ų | 115.5 | 50% | 0.504 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 140.7 | 179.9 | -62.7 | -75.5 | 174.7 | -174.1 | 0 | 110.3 | R516 A549 E551 | R516-K518 PolarHBondContact O-N 2.96Å; R516-K518 VanDerWaalsContact O-N 3.16Å; K518-A549 PolarHBondContact NZ-O 3.35Å; K518-E551 WeakPolarHBondContact CD-OE1 3.41Å; K518-E551 WeakPolarHBondContact CD-OE2 3.49Å; K518-E551 IonicContact NZ-OE1 2.9Å; K518-E551 IonicContact NZ-OE2 3.44Å; K518-E551 PolarHBondContact NZ-OE2 2.92Å |
| 519 | K | 84.3 | Confident | 74.3 | Confident | 100 Ų | 100 | 118.2 Ų | 118.2 | 44% | 0.435 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -64.5 | 133.3 | -171 | 179.3 | 171.2 | 168.7 | 179.7 | 0 | 112.8 | F521 D552 | K519-F521 HydrophobicContact CB-CE2 3.98Å; K519-F521 HydrophobicContact CB-CZ 4.33Å; K519-F521 HydrophobicContact CD-CE1 4.2Å; K519-F521 HydrophobicContact CD-CE2 4.2Å; K519-F521 HydrophobicContact CD-CZ 3.73Å; K519-F521 HydrophobicContact CG-CD2 4.46Å; K519-F521 HydrophobicContact CG-CE1 4.48Å; K519-F521 HydrophobicContact CG-CE2 3.97Å; K519-F521 HydrophobicContact CG-CZ 3.99Å; K519-F521 VanDerWaalsContact O-CD2 3.31Å; K519-F521 WeakPolarHBondContact O-CD2 3.35Å; K519-D552 WeakPolarHBondContact CD-OD1 3.45Å; K519-D552 WeakPolarHBondContact CD-OD2 3.48Å; K519-D552 WeakPolarHBondContact CE-OD1 3.48Å; K519-D552 IonicContact NZ-OD1 2.73Å; K519-D552 PolarHBondContact NZ-OD1 3.41Å; K519-D552 IonicContact NZ-OD2 3.48Å |
| 520 | E | 81.1 | Confident | 75.7 | Confident | 143 Ų | 143 | 116.3 Ų | 116.3 | 67% | 0.668 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 117.1 | 177 | -166.8 | -168.5 | -167.4 | 0 | 0 | 110.7 | K522 | E520-K522 WeakPolarHBondContact OE1-CE 3.42Å; E520-K522 IonicContact OE1-NZ 4Å; E520-K522 PolarHBondContact OE1-NZ 2.77Å; E520-K522 VanDerWaalsContact OE1-NZ 3.11Å; E520-K522 WeakPolarHBondContact OE2-CE 3.25Å; E520-K522 IonicContact OE2-NZ 2.7Å; E520-K522 PolarHBondContact OE2-NZ 2.97Å |
| 521 | F | 84.3 | Confident | 76.3 | Confident | 94 Ų | 94 | 117.3 Ų | 117.3 | 41% | 0.412 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -99.6 | 130.5 | 175.8 | -66 | -90.1 | 0 | 0 | 0 | 111 | K519 P523 A555 L560 | K519-F521 HydrophobicContact CB-CE2 3.98Å; K519-F521 HydrophobicContact CB-CZ 4.33Å; K519-F521 HydrophobicContact CD-CE1 4.2Å; K519-F521 HydrophobicContact CD-CE2 4.2Å; K519-F521 HydrophobicContact CD-CZ 3.73Å; K519-F521 HydrophobicContact CG-CD2 4.46Å; K519-F521 HydrophobicContact CG-CE1 4.48Å; K519-F521 HydrophobicContact CG-CE2 3.97Å; K519-F521 HydrophobicContact CG-CZ 3.99Å; K519-F521 VanDerWaalsContact O-CD2 3.31Å; K519-F521 WeakPolarHBondContact O-CD2 3.35Å; F521-P523 WeakPolarHBondContact O-CD 3.24Å; F521-A555 HydrophobicContact CE1-CB 4.22Å; F521-A555 HydrophobicContact CZ-CB 3.95Å; F521-L560 HydrophobicContact CD1-CD1 4.2Å; F521-L560 HydrophobicContact CE1-CD1 3.79Å |
| 522 | K | 77.9 | Confident | 76.7 | Confident | 160 Ų | 160 | 124 Ų | 124 | 70% | 0.696 | 59% | 0.591 | S | S | * | * | trans | -117.9 | 81.9 | 178.5 | -75.2 | 168.4 | 171.8 | 146.3 | 0 | 109.7 | E520 | E520-K522 WeakPolarHBondContact OE1-CE 3.42Å; E520-K522 IonicContact OE1-NZ 4Å; E520-K522 PolarHBondContact OE1-NZ 2.77Å; E520-K522 VanDerWaalsContact OE1-NZ 3.11Å; E520-K522 WeakPolarHBondContact OE2-CE 3.25Å; E520-K522 IonicContact OE2-NZ 2.7Å; E520-K522 PolarHBondContact OE2-NZ 2.97Å | ||
| 523 | P | 75.8 | Confident | 77.5 | Confident | 77 Ų | 77 | 127.8 Ų | 127.8 | 50% | 0.5 | 62% | 0.619 | S | S | . | * | trans | -68.8 | 142 | 179.4 | 29.1 | -34.7 | 0 | 0 | 0 | 111.2 | F521 S525 M527 | F521-P523 WeakPolarHBondContact O-CD 3.24Å; P523-S525 VanDerWaalsContact C-N 3.26Å; P523-S525 PolarHBondContact O-N 3.36Å; P523-M527 HydrophobicContact CB-CG 4.22Å; P523-M527 HydrophobicContact CG-CG 4Å | ||
| 524 | E | 70.5 | Confident | 78 | Confident | 208 Ų | 208 | 131.3 Ų | 131.3 | 97% | 0.972 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -68 | -24.6 | -177.8 | -59.9 | 179.6 | 161.5 | 0 | 0 | 113.3 | ||
| 525 | S | 74.2 | Confident | 78.8 | Confident | 51 Ų | 51 | 127.4 Ų | 127.4 | 36% | 0.357 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -114.3 | 148.3 | 178.3 | 66.7 | 0 | 0 | 0 | 0 | 111.8 | P523 M527 | P523-S525 VanDerWaalsContact C-N 3.26Å; P523-S525 PolarHBondContact O-N 3.36Å; S525-M527 PolarHBondContact O-N 3.22Å |
| 526 | S | 74.4 | Confident | 79.3 | Confident | 81 Ų | 81 | 133.7 Ų | 133.7 | 57% | 0.566 | 63% | 0.634 | S | S | * | * | trans | -71.3 | 105.6 | 178.8 | 57 | 0 | 0 | 0 | 0 | 110.6 | S569 | S526-S569 WeakPolarHBondContact O-CB 3.45Å; S526-S569 PolarHBondContact O-N 2.78Å | ||
| 527 | M | 81.6 | Confident | 79.6 | Confident | 55 Ų | 55 | 125 Ų | 125 | 27% | 0.271 | 61% | 0.606 | S | S | . | * | B | Isolated β-bridge | trans | -68.8 | 146.8 | 179 | -61.6 | -57.5 | -64.7 | 0 | 0 | 113.4 | P523 S525 R529 V563 A564 F567 | P523-M527 HydrophobicContact CB-CG 4.22Å; P523-M527 HydrophobicContact CG-CG 4Å; S525-M527 PolarHBondContact O-N 3.22Å; M527-R529 PolarHBondContact O-N 2.9Å; M527-V563 HydrophobicContact CE-CG1 3.84Å; M527-A564 HydrophobicContact SD-CB 4.23Å; M527-F567 HydrophobicContact CE-CB 3.77Å |
| 528 | K | 77.5 | Confident | 79.7 | Confident | 147 Ų | 147 | 126.5 Ų | 126.5 | 64% | 0.639 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 131.7 | 159.3 | -68.9 | 177 | -179.3 | 174.2 | 0 | 108.9 | F567 | K528-F567 PolarHBondContact N-O 2.76Š|
| 529 | R | 79.3 | Confident | 79.7 | Confident | 231 Ų | 231 | 126.6 Ų | 126.6 | 87% | 0.872 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 139.9 | -176.1 | -65.4 | -176.5 | 179.3 | -179.4 | -0.9 | 111.5 | M527 | M527-R529 PolarHBondContact O-N 2.9Š|
| 530 | L | 78.2 | Confident | 79.5 | Confident | 131 Ų | 131 | 123.7 Ų | 123.7 | 69% | 0.686 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 123.6 | 169.2 | -175 | 64.7 | 0 | 0 | 0 | 109.2 | W532 | L530-W532 HydrophobicContact CD2-CD2 4.44Å; L530-W532 HydrophobicContact CD2-CE3 3.82Å; L530-W532 HydrophobicContact CD2-CZ3 4.17Å; L530-W532 PolarHBondContact O-N 3.03Å |
| 531 | N | 71.9 | Confident | 79.5 | Confident | 158 Ų | 158 | 120.4 Ų | 120.4 | 85% | 0.845 | 59% | 0.587 | S | S | * | * | trans | -90.7 | 76 | -175.4 | -68.9 | -18.8 | 0 | 0 | 0 | 111.2 | ||||
| 532 | W | 79.4 | Confident | 79.2 | Confident | 201 Ų | 201 | 123 Ų | 123 | 76% | 0.761 | 60% | 0.6 | S | S | * | * | trans | -95.4 | 157.2 | 176.2 | 54.6 | 20.4 | 0 | 0 | 0 | 113.8 | L530 | L530-W532 HydrophobicContact CD2-CD2 4.44Å; L530-W532 HydrophobicContact CD2-CE3 3.82Å; L530-W532 HydrophobicContact CD2-CZ3 4.17Å; L530-W532 PolarHBondContact O-N 3.03Å | ||
| 533 | S | 84.5 | Confident | 79.1 | Confident | 123 Ų | 123 | 119 Ų | 119 | 86% | 0.86 | 61% | 0.605 | S | S | * | * | trans | -83.4 | 111.2 | 166.3 | -64.1 | 0 | 0 | 0 | 0 | 109.4 | I535 | S533-I535 PolarHBondContact O-N 3.36Š| ||
| 534 | K | 85.3 | Confident | 79.5 | Confident | 165 Ų | 165 | 116.9 Ų | 116.9 | 72% | 0.717 | 59% | 0.591 | S | S | * | * | trans | -77.7 | 114.5 | -178 | 177.8 | -179.9 | 176.5 | -178.9 | 0 | 111.4 | ||||
| 535 | I | 85.6 | Confident | 80.3 | Confident | 80 Ų | 80 | 113.7 Ų | 113.7 | 41% | 0.41 | 57% | 0.574 | S | S | . | * | trans | -65.4 | 135.1 | 164.2 | -52.9 | 174.2 | 0 | 0 | 0 | 109.1 | S533 E539 M540 | S533-I535 PolarHBondContact O-N 3.36Å; I535-E539 WeakPolarHBondContact CA-OE2 3.39Å; I535-E539 HydrophobicContact CG2-CB 4.02Å; I535-M540 HydrophobicContact CB-CE 4.1Å; I535-M540 HydrophobicContact CG2-CE 3.71Å; I535-M540 HydrophobicContact CG2-CG 4.03Å | ||
| 536 | R | 84.8 | Confident | 80.8 | Confident | 157 Ų | 157 | 117.7 Ų | 117.7 | 59% | 0.592 | 58% | 0.582 | S | S | * | * | trans | -90.3 | 150.4 | 175.7 | -53.5 | -177.9 | -171.9 | -162.2 | -0.7 | 110.7 | Q538 E539 | R536-Q538 PolarHBondContact O-N 3.32Å; R536-Q538 VanDerWaalsContact O-N 3.07Å; R536-E539 HydrophobicContact CB-CG 4.09Å; R536-E539 WeakPolarHBondContact CD-OE1 3.5Å; R536-E539 WeakPolarHBondContact CG-OE1 3.36Å; R536-E539 PolarHBondContact N-OE2 2.9Å; R536-E539 IonicContact NE-OE1 3.79Å; R536-E539 WeakPolarHBondContact O-CB 3.48Å; R536-E539 PolarHBondContact O-N 2.89Å | ||
| 537 | P | 80.9 | Confident | 81.3 | Confident | 34 Ų | 34 | 115.4 Ų | 115.4 | 22% | 0.221 | 56% | 0.564 | C | S | . | * | G | 310 helix | trans | -56.8 | -25 | 175.5 | -26.5 | 35.9 | 0 | 0 | 0 | 114.5 | L511 L515 E539 | L511-P537 HydrophobicContact CD2-CB 4.37Å; L511-P537 HydrophobicContact CD2-CG 4.23Å; L515-P537 HydrophobicContact CD1-CB 4.19Å; P537-E539 VanDerWaalsContact C-N 3.3Å |
| 538 | Q | 80.6 | Confident | 81.3 | Confident | 145 Ų | 145 | 119.9 Ų | 119.9 | 68% | 0.678 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -76.7 | -12.3 | 175.6 | -61 | 80.7 | 6.1 | 0 | 0 | 114 | R536 | R536-Q538 PolarHBondContact O-N 3.32Å; R536-Q538 VanDerWaalsContact O-N 3.07Å |
| 539 | E | 80.8 | Confident | 81.5 | Confident | 118 Ų | 118 | 114 Ų | 114 | 55% | 0.551 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -98.8 | 3.8 | -179.9 | -63.5 | 157.3 | -171 | 0 | 0 | 111.6 | I535 R536 P537 | I535-E539 WeakPolarHBondContact CA-OE2 3.39Å; I535-E539 HydrophobicContact CG2-CB 4.02Å; R536-E539 HydrophobicContact CB-CG 4.09Å; R536-E539 WeakPolarHBondContact CD-OE1 3.5Å; R536-E539 WeakPolarHBondContact CG-OE1 3.36Å; R536-E539 PolarHBondContact N-OE2 2.9Å; R536-E539 IonicContact NE-OE1 3.79Å; R536-E539 WeakPolarHBondContact O-CB 3.48Å; R536-E539 PolarHBondContact O-N 2.89Å; P537-E539 VanDerWaalsContact C-N 3.3Å |
| 540 | M | 81.7 | Confident | 81.8 | Confident | 38 Ų | 38 | 107.1 Ų | 107.1 | 19% | 0.187 | 55% | 0.548 | C | S | . | . | trans | -100.5 | 148.6 | -177.5 | -61.1 | 178.7 | -179.3 | 0 | 0 | 111.2 | F513 L515 I535 W546 | F513-M540 WeakPolarHBondContact CE2-O 3.32Å; L515-M540 HydrophobicContact CD1-SD 4.22Å; I535-M540 HydrophobicContact CB-CE 4.1Å; I535-M540 HydrophobicContact CG2-CE 3.71Å; I535-M540 HydrophobicContact CG2-CG 4.03Å; M540-W546 HydrophobicContact CE-CB 4.11Å; M540-W546 HydrophobicContact SD-CB 4.14Å | ||
| 541 | S | 81 | Confident | 82.2 | Confident | 75 Ų | 75 | 104.2 Ų | 104.2 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | trans | -103 | 160.1 | 169.6 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | G543 C544 V547 | S541-G543 VanDerWaalsContact C-N 3.31Å; S541-G543 PolarHBondContact O-N 3.29Å; S541-C544 WeakPolarHBondContact O-CB 3.44Å; S541-C544 PolarHBondContact O-N 3.04Å; S541-V547 WeakPolarHBondContact O-CG2 3.43Å | ||
| 542 | E | 77.8 | Confident | 82.7 | Confident | 147 Ų | 147 | 99.7 Ų | 99.7 | 69% | 0.687 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -41.6 | -178.9 | -169.9 | 176.4 | 175.8 | 0 | 0 | 113 | F513 C544 | F513-E542 HydrophobicContact CD1-CB 3.7Å; F513-E542 HydrophobicContact CD1-CG 3.86Å; F513-E542 HydrophobicContact CE1-CB 3.75Å; F513-E542 HydrophobicContact CE1-CG 4.32Å; F513-E542 HydrophobicContact CG-CB 4.38Å; F513-E542 HydrophobicContact CZ-CB 4.46Å; E542-C544 VanDerWaalsContact C-N 3.26Å; E542-C544 PolarHBondContact O-N 3.37Å |
| 543 | G | 76.4 | Confident | 83.1 | Confident | 78 Ų | 78 | 95.4 Ų | 95.4 | 80% | 0.804 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 9.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S541 | S541-G543 VanDerWaalsContact C-N 3.31Å; S541-G543 PolarHBondContact O-N 3.29Å |
| 544 | C | 82.4 | Confident | 83.1 | Confident | 32 Ų | 32 | 96.6 Ų | 96.6 | 22% | 0.216 | 48% | 0.482 | C | S | . | . | trans | -74.7 | 133.6 | 180 | -171.4 | 0 | 0 | 0 | 0 | 111 | S541 E542 W546 V547 | S541-C544 WeakPolarHBondContact O-CB 3.44Å; S541-C544 PolarHBondContact O-N 3.04Å; E542-C544 VanDerWaalsContact C-N 3.26Å; E542-C544 PolarHBondContact O-N 3.37Å; C544-W546 PolarHBondContact O-N 2.89Å; C544-V547 HydrophobicContact CB-CG2 4.33Å; C544-V547 WeakPolarHBondContact O-CB 3.35Å; C544-V547 PolarHBondContact O-N 3.31Å | ||
| 545 | F | 87 | Confident | 83 | Confident | 141 Ų | 141 | 89.8 Ų | 89.8 | 62% | 0.618 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -48 | -36.8 | 177.1 | 172.9 | -98.7 | 0 | 0 | 0 | 113.6 | V547 L548 A549 | F545-V547 PolarHBondContact O-N 3.26Å; F545-L548 PolarHBondContact O-N 2.89Å; F545-A549 HydrophobicContact CE1-CB 4.17Å; F545-A549 PolarHBondContact O-N 2.92Å; F545-A549 VanDerWaalsContact O-N 3.1Å |
| 546 | W | 86.1 | Confident | 83.1 | Confident | 135 Ų | 135 | 92.5 Ų | 92.5 | 51% | 0.511 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.8 | -15 | -179.6 | -58.9 | 119.1 | 0 | 0 | 0 | 114.9 | M540 C544 A549 | M540-W546 HydrophobicContact CE-CB 4.11Å; M540-W546 HydrophobicContact SD-CB 4.14Å; C544-W546 PolarHBondContact O-N 2.89Å; W546-A549 HydrophobicContact CE3-CB 4.08Å |
| 547 | V | 84.1 | Confident | 83.1 | Confident | 33 Ų | 33 | 89.5 Ų | 89.5 | 20% | 0.2 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -77.2 | -35.5 | 171.4 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | F513 L515 S541 C544 F545 | F513-V547 HydrophobicContact CB-CG1 3.95Å; F513-V547 HydrophobicContact CB-CG2 4.45Å; F513-V547 HydrophobicContact CD2-CG2 4.5Å; L515-V547 HydrophobicContact CD2-CG1 4.46Å; S541-V547 WeakPolarHBondContact O-CG2 3.43Å; C544-V547 HydrophobicContact CB-CG2 4.33Å; C544-V547 WeakPolarHBondContact O-CB 3.35Å; C544-V547 PolarHBondContact O-N 3.31Å; F545-V547 PolarHBondContact O-N 3.26Å |
| 548 | L | 81.6 | Confident | 83.4 | Confident | 148 Ų | 148 | 95.1 Ų | 95.1 | 78% | 0.775 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -85.9 | -9 | 177.2 | -59 | 176.6 | 0 | 0 | 0 | 113.3 | F545 D550 | F545-L548 PolarHBondContact O-N 2.89Å; L548-D550 PolarHBondContact O-N 3.41Å |
| 549 | A | 82.9 | Confident | 83.7 | Confident | 23 Ų | 23 | 91.9 Ų | 91.9 | 19% | 0.19 | 48% | 0.476 | C | S | . | . | trans | -79.7 | 101.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K518 F545 W546 | K518-A549 PolarHBondContact NZ-O 3.35Å; F545-A549 HydrophobicContact CE1-CB 4.17Å; F545-A549 PolarHBondContact O-N 2.92Å; F545-A549 VanDerWaalsContact O-N 3.1Å; W546-A549 HydrophobicContact CE3-CB 4.08Å | ||
| 550 | D | 84.9 | Confident | 84.1 | Confident | 87 Ų | 87 | 89.6 Ų | 89.6 | 47% | 0.465 | 47% | 0.467 | S | S | . | . | trans | -88.8 | 110.7 | 163.3 | -179.5 | 0.8 | 0 | 0 | 0 | 110.2 | L548 D552 Q553 | L548-D550 PolarHBondContact O-N 3.41Å; D550-D552 WeakPolarHBondContact OD1-CA 3.49Å; D550-D552 WeakPolarHBondContact OD1-CB 3.4Å; D550-D552 PolarHBondContact OD1-N 3.21Å; D550-Q553 WeakPolarHBondContact O-CG 3.35Å; D550-Q553 PolarHBondContact O-NE2 3.49Å; D550-Q553 PolarHBondContact OD1-N 2.99Å | ||
| 551 | E | 85.7 | Confident | 84.3 | Confident | 71 Ų | 71 | 92.7 Ų | 92.7 | 33% | 0.332 | 48% | 0.484 | S | S | . | . | trans | -86.6 | -16.7 | 172.4 | 75.1 | -75.1 | 174.9 | 0 | 0 | 114.2 | K518 Q553 Y554 A555 | K518-E551 WeakPolarHBondContact CD-OE1 3.41Å; K518-E551 WeakPolarHBondContact CD-OE2 3.49Å; K518-E551 IonicContact NZ-OE1 2.9Å; K518-E551 IonicContact NZ-OE2 3.44Å; K518-E551 PolarHBondContact NZ-OE2 2.92Å; E551-Q553 VanDerWaalsContact C-N 3.3Å; E551-Q553 PolarHBondContact O-N 3.31Å; E551-Y554 WeakPolarHBondContact O-CB 3.38Å; E551-Y554 PolarHBondContact O-N 3.05Å; E551-A555 PolarHBondContact O-N 3.41Å | ||
| 552 | D | 83.8 | Confident | 84.6 | Confident | 62 Ų | 62 | 96.1 Ų | 96.1 | 33% | 0.332 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -71.3 | -28.1 | -171.4 | -121.5 | -35.3 | 0 | 0 | 0 | 111.7 | K519 D550 Y554 A555 | K519-D552 WeakPolarHBondContact CD-OD1 3.45Å; K519-D552 WeakPolarHBondContact CD-OD2 3.48Å; K519-D552 WeakPolarHBondContact CE-OD1 3.48Å; K519-D552 IonicContact NZ-OD1 2.73Å; K519-D552 PolarHBondContact NZ-OD1 3.41Å; K519-D552 IonicContact NZ-OD2 3.48Å; D550-D552 WeakPolarHBondContact OD1-CA 3.49Å; D550-D552 WeakPolarHBondContact OD1-CB 3.4Å; D550-D552 PolarHBondContact OD1-N 3.21Å; D552-Y554 PolarHBondContact O-N 3.45Å; D552-Y554 VanDerWaalsContact O-N 3.12Å; D552-A555 WeakPolarHBondContact O-CB 3.38Å; D552-A555 PolarHBondContact O-N 3.11Å |
| 553 | Q | 86.6 | Confident | 84.9 | Confident | 111 Ų | 111 | 92 Ų | 92 | 52% | 0.519 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -55.6 | -24.5 | 168.1 | 70.3 | -178.4 | -50.9 | 0 | 0 | 113.8 | D550 E551 | D550-Q553 WeakPolarHBondContact O-CG 3.35Å; D550-Q553 PolarHBondContact O-NE2 3.49Å; D550-Q553 PolarHBondContact OD1-N 2.99Å; E551-Q553 VanDerWaalsContact C-N 3.3Å; E551-Q553 PolarHBondContact O-N 3.31Å |
| 554 | Y | 85 | Confident | 85.2 | Confident | 149 Ų | 149 | 89.6 Ų | 89.6 | 58% | 0.584 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -98.3 | -7.9 | 178.2 | -55.9 | -66.1 | 0 | 0 | 0 | 113.3 | E551 D552 K556 | E551-Y554 WeakPolarHBondContact O-CB 3.38Å; E551-Y554 PolarHBondContact O-N 3.05Å; D552-Y554 PolarHBondContact O-N 3.45Å; D552-Y554 VanDerWaalsContact O-N 3.12Å; Y554-K556 PolarHBondContact O-N 3.41Å |
| 555 | A | 84 | Confident | 85.3 | Confident | 21 Ų | 21 | 94.9 Ų | 94.9 | 17% | 0.174 | 47% | 0.468 | C | S | . | . | trans | -75.8 | 43.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F521 E551 D552 L560 | F521-A555 HydrophobicContact CE1-CB 4.22Å; F521-A555 HydrophobicContact CZ-CB 3.95Å; E551-A555 PolarHBondContact O-N 3.41Å; D552-A555 WeakPolarHBondContact O-CB 3.38Å; D552-A555 PolarHBondContact O-N 3.11Å; A555-L560 HydrophobicContact CB-CD1 4.46Å | ||
| 556 | K | 87.9 | Confident | 85.2 | Confident | 138 Ų | 138 | 92.5 Ų | 92.5 | 60% | 0.6 | 47% | 0.465 | S | S | * | . | trans | -68.6 | 132 | -178.8 | -63 | -178.8 | -179.6 | -179.8 | 0 | 110.7 | Y554 E558 L559 L560 | Y554-K556 PolarHBondContact O-N 3.41Å; K556-E558 VanDerWaalsContact C-N 3.28Å; K556-E558 PolarHBondContact O-N 2.73Å; K556-E558 VanDerWaalsContact O-N 3.17Å; K556-L559 WeakPolarHBondContact O-CB 3.43Å; K556-L559 PolarHBondContact O-N 2.93Å; K556-L560 PolarHBondContact O-N 3.16Å; K556-L560 VanDerWaalsContact O-N 3.16Å | ||
| 557 | P | 84.4 | Confident | 85 | Confident | 93 Ų | 93 | 91.3 Ų | 91.3 | 60% | 0.604 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -53.7 | -39.1 | -177.5 | -29.6 | 35.9 | 0 | 0 | 0 | 114.6 | L559 L560 N561 | P557-L559 VanDerWaalsContact C-N 3.29Å; P557-L559 PolarHBondContact O-N 2.97Å; P557-L560 PolarHBondContact O-N 3Å; P557-N561 WeakPolarHBondContact O-CB 3.35Å; P557-N561 VanDerWaalsContact O-CG 3.22Å; P557-N561 PolarHBondContact O-N 2.76Å; P557-N561 PolarHBondContact O-OD1 2.76Å |
| 558 | E | 87.1 | Confident | 84.8 | Confident | 152 Ų | 152 | 90.4 Ų | 90.4 | 71% | 0.71 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.3 | -33.5 | 176.6 | -61.4 | 177 | 176.1 | 0 | 0 | 113.7 | K556 R562 | K556-E558 VanDerWaalsContact C-N 3.28Å; K556-E558 PolarHBondContact O-N 2.73Å; K556-E558 VanDerWaalsContact O-N 3.17Å; E558-R562 WeakPolarHBondContact O-CB 3.49Å; E558-R562 PolarHBondContact O-N 2.95Å |
| 559 | L | 87.3 | Confident | 84.2 | Confident | 77 Ų | 77 | 86.2 Ų | 86.2 | 40% | 0.403 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -74.8 | -46.3 | 176.6 | -178.7 | 60.1 | 0 | 0 | 0 | 110 | K556 P557 R562 V563 | K556-L559 WeakPolarHBondContact O-CB 3.43Å; K556-L559 PolarHBondContact O-N 2.93Å; P557-L559 VanDerWaalsContact C-N 3.29Å; P557-L559 PolarHBondContact O-N 2.97Å; L559-R562 PolarHBondContact O-N 2.94Å; L559-V563 HydrophobicContact CD1-CG2 4.47Å; L559-V563 WeakPolarHBondContact O-CB 3.43Å; L559-V563 WeakPolarHBondContact O-CG2 3.42Å; L559-V563 PolarHBondContact O-N 3.25Å |
| 560 | L | 89.1 | Confident | 83.1 | Confident | 70 Ų | 70 | 92.9 Ų | 92.9 | 37% | 0.366 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | -180 | -61.1 | 176.4 | 0 | 0 | 0 | 112 | F521 A555 K556 P557 V563 A564 | F521-L560 HydrophobicContact CD1-CD1 4.2Å; F521-L560 HydrophobicContact CE1-CD1 3.79Å; A555-L560 HydrophobicContact CB-CD1 4.46Å; K556-L560 PolarHBondContact O-N 3.16Å; K556-L560 VanDerWaalsContact O-N 3.16Å; P557-L560 PolarHBondContact O-N 3Å; L560-V563 PolarHBondContact O-N 3.37Å; L560-A564 WeakPolarHBondContact O-CB 3.34Å; L560-A564 PolarHBondContact O-N 3.4Å |
| 561 | N | 85 | Confident | 81.6 | Confident | 104 Ų | 104 | 99.6 Ų | 99.6 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.6 | -40.3 | 177.3 | -70.2 | -0.5 | 0 | 0 | 0 | 111.9 | P557 A564 L565 | P557-N561 WeakPolarHBondContact O-CB 3.35Å; P557-N561 VanDerWaalsContact O-CG 3.22Å; P557-N561 PolarHBondContact O-N 2.76Å; P557-N561 PolarHBondContact O-OD1 2.76Å; N561-A564 PolarHBondContact O-N 3.08Å; N561-L565 WeakPolarHBondContact O-CG 3.49Å; N561-L565 PolarHBondContact O-N 3.34Å |
| 562 | R | 86.5 | Confident | 79.3 | Confident | 147 Ų | 147 | 100.9 Ų | 100.9 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.2 | -40.4 | 173.9 | 172.4 | 166.9 | 38.5 | 178 | -10.2 | 112.1 | E558 L559 L565 T566 | E558-R562 WeakPolarHBondContact O-CB 3.49Å; E558-R562 PolarHBondContact O-N 2.95Å; L559-R562 PolarHBondContact O-N 2.94Å; R562-L565 PolarHBondContact O-N 2.79Å; R562-T566 WeakPolarHBondContact O-CB 3.49Å; R562-T566 PolarHBondContact O-N 2.88Å; R562-T566 PolarHBondContact O-OG1 3.37Å |
| 563 | V | 84.1 | Confident | 77.4 | Confident | 60 Ų | 60 | 106.7 Ų | 106.7 | 36% | 0.364 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 172.3 | 165.8 | 0 | 0 | 0 | 0 | 110.7 | M527 L559 L560 L565 T566 F567 | M527-V563 HydrophobicContact CE-CG1 3.84Å; L559-V563 HydrophobicContact CD1-CG2 4.47Å; L559-V563 WeakPolarHBondContact O-CB 3.43Å; L559-V563 WeakPolarHBondContact O-CG2 3.42Å; L559-V563 PolarHBondContact O-N 3.25Å; L560-V563 PolarHBondContact O-N 3.37Å; V563-L565 PolarHBondContact O-N 3.28Å; V563-T566 PolarHBondContact O-N 3.02Å; V563-F567 HydrophobicContact CG1-CD2 4.22Å; V563-F567 PolarHBondContact O-N 2.7Å |
| 564 | A | 84.1 | Confident | 75.1 | Confident | 28 Ų | 28 | 107.5 Ų | 107.5 | 23% | 0.231 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | M527 L560 N561 G568 | M527-A564 HydrophobicContact SD-CB 4.23Å; L560-A564 WeakPolarHBondContact O-CB 3.34Å; L560-A564 PolarHBondContact O-N 3.4Å; N561-A564 PolarHBondContact O-N 3.08Å; A564-G568 WeakPolarHBondContact O-CA 3.43Å; A564-G568 PolarHBondContact O-N 3.46Å |
| 565 | L | 83.2 | Confident | 73 | Confident | 142 Ų | 142 | 108.9 Ų | 108.9 | 74% | 0.743 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.2 | -41.3 | 174.7 | -77 | 163.4 | 0 | 0 | 0 | 112.9 | N561 R562 V563 | N561-L565 WeakPolarHBondContact O-CG 3.49Å; N561-L565 PolarHBondContact O-N 3.34Å; R562-L565 PolarHBondContact O-N 2.79Å; V563-L565 PolarHBondContact O-N 3.28Å |
| 566 | T | 85.1 | Confident | 70.8 | Confident | 91 Ų | 91 | 112.1 Ų | 112.1 | 56% | 0.558 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -82 | -33.1 | -175.7 | -55.9 | 0 | 0 | 0 | 0 | 113.5 | R562 V563 | R562-T566 WeakPolarHBondContact O-CB 3.49Å; R562-T566 PolarHBondContact O-N 2.88Å; R562-T566 PolarHBondContact O-OG1 3.37Å; V563-T566 PolarHBondContact O-N 3.02Å |
| 567 | F | 82.4 | Confident | 68.4 | Low | 111 Ų | 111 | 115.2 Ų | 115.2 | 49% | 0.487 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -122.3 | 1.1 | -172.2 | -55.3 | -75.5 | 0 | 0 | 0 | 114.5 | M527 K528 V563 | M527-F567 HydrophobicContact CE-CB 3.77Å; K528-F567 PolarHBondContact N-O 2.76Å; V563-F567 HydrophobicContact CG1-CD2 4.22Å; V563-F567 PolarHBondContact O-N 2.7Å |
| 568 | G | 80.3 | Confident | 66.1 | Low | 13 Ų | 13 | 119.8 Ų | 119.8 | 13% | 0.134 | 60% | 0.601 | C | S | . | * | B | Isolated β-bridge | trans | -62.2 | 137 | 167 | 0 | 0 | 0 | 0 | 0 | 111.2 | A564 Q570 | A564-G568 WeakPolarHBondContact O-CA 3.43Å; A564-G568 PolarHBondContact O-N 3.46Å; G568-Q570 PolarHBondContact O-N 3.5Å |
| 569 | S | 69.6 | Low | 63.7 | Low | 61 Ų | 61 | 120.9 Ų | 120.9 | 43% | 0.427 | 61% | 0.606 | S | S | . | * | trans | -79.9 | 86 | -179.9 | -169.1 | 0 | 0 | 0 | 0 | 110.2 | S526 R571 | S526-S569 WeakPolarHBondContact O-CB 3.45Å; S526-S569 PolarHBondContact O-N 2.78Å; S569-R571 PolarHBondContact O-N 2.97Å; S569-R571 VanDerWaalsContact O-N 3.13Å | ||
| 570 | Q | 59.7 | Low | 61.4 | Low | 163 Ų | 163 | 126 Ų | 126 | 76% | 0.762 | 63% | 0.628 | S | S | * | * | trans | -51.8 | 119.5 | 171.6 | -69.3 | -174.8 | -0.2 | 0 | 0 | 110.3 | G568 T572 | G568-Q570 PolarHBondContact O-N 3.5Å; Q570-T572 PolarHBondContact O-N 3.05Å | ||
| 571 | R | 53.4 | Low | 58.9 | Low | 228 Ų | 228 | 130.3 Ų | 130.3 | 86% | 0.86 | 65% | 0.651 | S | S | * | * | trans | -74.1 | 105.4 | 160.9 | -74 | -176.4 | 175 | -170.2 | -1.1 | 106.6 | S569 E573 | S569-R571 PolarHBondContact O-N 2.97Å; S569-R571 VanDerWaalsContact O-N 3.13Å; R571-E573 PolarHBondContact O-N 2.97Å | ||
| 572 | T | 37 | Very low | 56.6 | Low | 98 Ų | 98 | 129 Ų | 129 | 60% | 0.601 | 64% | 0.644 | S | S | * | * | trans | -65.3 | 121.5 | 172.1 | 43.1 | 0 | 0 | 0 | 0 | 109.5 | Q570 T574 | Q570-T572 PolarHBondContact O-N 3.05Å; T572-T574 PolarHBondContact O-N 2.91Å | ||
| 573 | E | 43.5 | Very low | 54.3 | Low | 184 Ų | 184 | 128 Ų | 128 | 86% | 0.86 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -72 | 1.7 | -174.9 | -59.3 | -175.5 | 134.7 | 0 | 0 | 113.3 | R571 K575 A576 | R571-E573 PolarHBondContact O-N 2.97Å; E573-K575 PolarHBondContact O-N 3.31Å; E573-A576 PolarHBondContact O-N 3.46Å |
| 574 | T | 39.4 | Very low | 52.3 | Low | 128 Ų | 128 | 132.7 Ų | 132.7 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 21.3 | 177.2 | 49.5 | 0 | 0 | 0 | 0 | 114.7 | T572 | T572-T574 PolarHBondContact O-N 2.91Š|
| 575 | K | 39.4 | Very low | 50.2 | Low | 177 Ų | 177 | 138.3 Ų | 138.3 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 4.9 | 171.5 | -84 | -162.8 | 169.6 | -166.5 | 0 | 115.4 | E573 K577 | E573-K575 PolarHBondContact O-N 3.31Å; K575-K577 VanDerWaalsContact C-N 3.28Å; K575-K577 PolarHBondContact O-N 3.38Å |
| 576 | A | 38.3 | Very low | 48.2 | Very low | 89 Ų | 89 | 138 Ų | 138 | 74% | 0.736 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -81.5 | 7.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E573 | E573-A576 PolarHBondContact O-N 3.46Š|
| 577 | K | 38 | Very low | 45.8 | Very low | 204 Ų | 204 | 140.9 Ų | 140.9 | 89% | 0.887 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -141.2 | 54.3 | 179 | -72.6 | -166.8 | 174.4 | -176.2 | 0 | 113.1 | K575 | K575-K577 VanDerWaalsContact C-N 3.28Å; K575-K577 PolarHBondContact O-N 3.38Å |
| 578 | K | 36.3 | Very low | 43.8 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 82% | 0.817 | 69% | 0.689 | S | S | * | * | trans | -159 | 37.4 | 161.8 | -121.3 | -179.2 | -176 | -167.2 | 0 | 113.7 | ||||
| 579 | E | 36.8 | Very low | 41.9 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | trans | -112.7 | 59.2 | 178.7 | -65.4 | -165.7 | 147.3 | 0 | 0 | 111.7 | ||||
| 580 | E | 38.4 | Very low | 40.3 | Very low | 184 Ų | 184 | 151.6 Ų | 151.6 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -143.1 | -17.2 | 170.5 | -147.2 | 160.8 | -157.9 | 0 | 0 | 113.4 | ||
| 581 | D | 36.9 | Very low | 39.4 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -115.4 | 2.7 | -171.8 | -139.2 | 11.8 | 0 | 0 | 0 | 113.8 | ||
| 582 | D | 35.7 | Very low | 38.8 | Very low | 76 Ų | 76 | 152.8 Ų | 152.8 | 41% | 0.406 | 74% | 0.739 | S | S | . | * | S | Bend | trans | -115 | 19.2 | -173.6 | -173.2 | 27.6 | 0 | 0 | 0 | 112.9 | K586 | D582-K586 IonicContact OD1-NZ 3.69Å; D582-K586 PolarHBondContact OD1-NZ 2.95Å; D582-K586 IonicContact OD2-NZ 3.76Å; D582-K586 PolarHBondContact OD2-NZ 2.92Å |
| 583 | L | 38.7 | Very low | 39.4 | Very low | 127 Ų | 127 | 155.9 Ų | 155.9 | 67% | 0.665 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -97.8 | -14.1 | -178.7 | -81.8 | 167.9 | 0 | 0 | 0 | 114.6 | ||
| 584 | E | 41.4 | Very low | 40.1 | Very low | 157 Ų | 157 | 150.5 Ų | 150.5 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -87.9 | -54.8 | 177 | -72.7 | -85.3 | 95.8 | 0 | 0 | 111.4 | K586 K587 | E584-K586 VanDerWaalsContact C-N 3.27Å; E584-K586 PolarHBondContact O-N 2.9Å; E584-K587 PolarHBondContact O-N 2.94Å; E584-K587 VanDerWaalsContact O-N 3.08Å |
| 585 | E | 41.3 | Very low | 41.3 | Very low | 147 Ų | 147 | 152.5 Ų | 152.5 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -63.5 | -27.4 | -174.2 | -68.9 | -153 | 118.1 | 0 | 0 | 114 | K587 S588 | E585-K587 PolarHBondContact O-N 3.45Å; E585-S588 PolarHBondContact O-N 3.45Å; E585-S588 PolarHBondContact O-OG 3.49Å |
| 586 | K | 39.7 | Very low | 43.1 | Very low | 135 Ų | 135 | 147.2 Ų | 147.2 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -72.7 | -3.9 | 177 | -75.3 | -175 | 172 | 70.6 | 0 | 114.8 | D582 E584 | D582-K586 IonicContact OD1-NZ 3.69Å; D582-K586 PolarHBondContact OD1-NZ 2.95Å; D582-K586 IonicContact OD2-NZ 3.76Å; D582-K586 PolarHBondContact OD2-NZ 2.92Å; E584-K586 VanDerWaalsContact C-N 3.27Å; E584-K586 PolarHBondContact O-N 2.9Å |
| 587 | K | 36.3 | Very low | 45 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 66% | 0.661 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -94.3 | -19.1 | 172.6 | -75.2 | 172.7 | -177.5 | 158.8 | 0 | 114.4 | E584 E585 | E584-K587 PolarHBondContact O-N 2.94Å; E584-K587 VanDerWaalsContact O-N 3.08Å; E585-K587 PolarHBondContact O-N 3.45Å |
| 588 | S | 39.4 | Very low | 47.1 | Very low | 77 Ų | 77 | 139.3 Ų | 139.3 | 54% | 0.538 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.5 | -43.4 | -177.5 | 61.9 | 0 | 0 | 0 | 0 | 112.7 | E585 K590 K591 | E585-S588 PolarHBondContact O-N 3.45Å; E585-S588 PolarHBondContact O-OG 3.49Å; S588-K590 VanDerWaalsContact C-N 3.25Å; S588-K590 PolarHBondContact O-N 3.42Å; S588-K591 PolarHBondContact O-N 2.94Å; S588-K591 VanDerWaalsContact O-N 3.1Å |
| 589 | I | 40.3 | Very low | 49.4 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 74% | 0.738 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -19.1 | -172.5 | -62.3 | 177.2 | 0 | 0 | 0 | 113.2 | K591 | I589-K591 VanDerWaalsContact C-N 3.32Å; I589-K591 PolarHBondContact O-N 3.32Å |
| 590 | K | 36.4 | Very low | 51.6 | Low | 189 Ų | 189 | 125 Ų | 125 | 82% | 0.822 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 3.5 | 173.4 | -79.9 | -172.7 | 174.2 | -178.6 | 0 | 115.1 | S588 | S588-K590 VanDerWaalsContact C-N 3.25Å; S588-K590 PolarHBondContact O-N 3.42Å |
| 591 | K | 39.9 | Very low | 53.6 | Low | 182 Ų | 182 | 120.9 Ų | 120.9 | 79% | 0.791 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -119.3 | 49.7 | 178.5 | -77.8 | -168.1 | 173.8 | -176.6 | 0 | 114.2 | S588 I589 | S588-K591 PolarHBondContact O-N 2.94Å; S588-K591 VanDerWaalsContact O-N 3.1Å; I589-K591 VanDerWaalsContact C-N 3.32Å; I589-K591 PolarHBondContact O-N 3.32Å |
| 592 | R | 42.1 | Very low | 55.8 | Low | 234 Ų | 234 | 120.3 Ų | 120.3 | 88% | 0.883 | 57% | 0.573 | S | S | * | * | trans | -154.1 | 11.8 | 160.5 | -116.4 | 169.7 | -156.4 | -158.4 | 5.8 | 117.7 | K594 | R592-K594 PolarHBondContact O-N 2.95Å; R592-K594 VanDerWaalsContact O-N 3.1Å | ||
| 593 | I | 48.5 | Very low | 58.1 | Low | 162 Ų | 162 | 118.5 Ų | 118.5 | 83% | 0.831 | 56% | 0.563 | S | S | * | * | trans | -73.9 | 102 | 162.6 | -57.2 | 178 | 0 | 0 | 0 | 107.1 | ||||
| 594 | K | 58.4 | Low | 60.3 | Low | 72 Ų | 72 | 112.8 Ų | 112.8 | 31% | 0.313 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 142.4 | 162.9 | -65.7 | 159.1 | 164.6 | 179.2 | 0 | 108 | R592 S662 N663 L664 | R592-K594 PolarHBondContact O-N 2.95Å; R592-K594 VanDerWaalsContact O-N 3.1Å; K594-S662 WeakPolarHBondContact CE-O 3.44Å; K594-S662 PolarHBondContact NZ-O 3.37Å; K594-N663 WeakPolarHBondContact CD-O 3.24Å; K594-L664 VanDerWaalsContact CD-C 3.46Å; K594-L664 WeakPolarHBondContact CD-O 3.46Å; K594-L664 WeakPolarHBondContact CE-O 3.2Å; K594-L664 PolarHBondContact NZ-O 3.47Å |
| 595 | E | 65.5 | Low | 62.3 | Low | 170 Ų | 170 | 111.2 Ų | 111.2 | 79% | 0.794 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 134.5 | -179.6 | -170.3 | 166.4 | -149 | 0 | 0 | 111.1 | K597 | E595-K597 PolarHBondContact O-N 3.4Š|
| 596 | L | 76.3 | Confident | 64.4 | Low | 65 Ų | 65 | 106.6 Ų | 106.6 | 34% | 0.34 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 125.5 | 177.4 | -65.4 | 173.2 | 0 | 0 | 0 | 109 | P601 A604 S665 E668 | L596-P601 HydrophobicContact CD1-CB 4.5Å; L596-P601 HydrophobicContact CD1-CG 4.34Å; L596-A604 HydrophobicContact CD1-CB 3.85Å; L596-A604 HydrophobicContact CD2-CB 3.82Å; L596-S665 WeakPolarHBondContact CD2-OG 3.33Å; L596-E668 HydrophobicContact CD2-CG 4.39Å |
| 597 | K | 77.9 | Confident | 66.7 | Low | 92 Ų | 92 | 100.2 Ų | 100.2 | 40% | 0.4 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -97.7 | -26 | -178.3 | -62.7 | -159.5 | 178.9 | -162.4 | 0 | 113.7 | E595 Y657 E660 L664 E668 | E595-K597 PolarHBondContact O-N 3.4Å; K597-Y657 HydrophobicContact CD-CD1 4.04Å; K597-Y657 HydrophobicContact CD-CE1 3.77Å; K597-E660 IonicContact NZ-OE2 3.17Å; K597-E660 PolarHBondContact NZ-OE2 3.24Å; K597-L664 HydrophobicContact CB-CD2 4.43Å; K597-L664 HydrophobicContact CD-CD2 3.89Å; K597-L664 HydrophobicContact CG-CD2 4.21Å; K597-E668 PolarHBondContact N-OE1 2.87Å |
| 598 | V | 82.1 | Confident | 69 | Low | 35 Ų | 35 | 95.4 Ų | 95.4 | 21% | 0.212 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -140.3 | -39.7 | -172.7 | -176 | 0 | 0 | 0 | 0 | 113.2 | Q650 A653 L654 Y657 E668 | V598-Q650 HydrophobicContact CG1-CB 4.46Å; V598-A653 HydrophobicContact CG1-CB 3.64Å; V598-A653 HydrophobicContact CG2-CB 4.46Å; V598-L654 HydrophobicContact CB-CD2 3.73Å; V598-L654 HydrophobicContact CB-CG 3.96Å; V598-L654 HydrophobicContact CG1-CD2 4.34Å; V598-L654 HydrophobicContact CG1-CG 4Å; V598-L654 HydrophobicContact CG2-CD2 3.81Å; V598-L654 HydrophobicContact CG2-CG 4.25Å; V598-Y657 HydrophobicContact CG2-CD2 3.91Å; V598-Y657 HydrophobicContact CG2-CE2 3.45Å; V598-Y657 VanDerWaalsContact CG2-CE2 3.45Å; V598-E668 PolarHBondContact N-OE1 2.85Å |
| 599 | L | 85.3 | Confident | 71.2 | Confident | 7 Ų | 7 | 96.6 Ų | 96.6 | 4% | 0.037 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -81.9 | 140.4 | -177.1 | -64.8 | -179.9 | 0 | 0 | 0 | 111.4 | I603 A604 L607 P646 Q650 L654 P667 E668 | L599-I603 HydrophobicContact CD2-CG2 4.31Å; L599-A604 HydrophobicContact CB-CB 4.22Å; L599-L607 HydrophobicContact CD1-CD1 4.02Å; L599-P646 HydrophobicContact CD1-CG 4.38Å; L599-P646 HydrophobicContact CD2-CB 3.71Å; L599-P646 HydrophobicContact CD2-CG 3.64Å; L599-Q650 HydrophobicContact CD2-CB 4.16Å; L599-L654 HydrophobicContact CD1-CD1 4.26Å; L599-L654 HydrophobicContact CD2-CD1 4.07Å; L599-L654 HydrophobicContact CG-CD1 4.07Å; L599-P667 HydrophobicContact CD1-CB 3.87Å; L599-E668 HydrophobicContact CB-CG 4.24Å; L599-E668 HydrophobicContact CD1-CG 3.77Å; L599-E668 HydrophobicContact CG-CG 3.89Å; L599-E668 PolarHBondContact N-OE1 3.45Å |
| 600 | D | 83.5 | Confident | 73.4 | Confident | 57 Ų | 57 | 90.2 Ų | 90.2 | 31% | 0.305 | 43% | 0.43 | S | S | . | . | trans | -69.2 | 155.7 | 170 | 69.3 | 88.8 | 0 | 0 | 0 | 111 | K602 I603 A604 Q650 | D600-K602 PolarHBondContact O-N 2.76Å; D600-K602 VanDerWaalsContact O-N 3.08Å; D600-K602 WeakPolarHBondContact OD1-CA 3.43Å; D600-K602 WeakPolarHBondContact OD1-CB 3.43Å; D600-K602 PolarHBondContact OD1-N 3.41Å; D600-I603 PolarHBondContact O-N 2.89Å; D600-I603 PolarHBondContact OD1-N 2.75Å; D600-I603 WeakPolarHBondContact OD2-CB 3.36Å; D600-I603 VanDerWaalsContact OD2-CD1 3.26Å; D600-I603 WeakPolarHBondContact OD2-CD1 3.24Å; D600-I603 WeakPolarHBondContact OD2-CG1 3.35Å; D600-A604 VanDerWaalsContact O-CB 3.25Å; D600-A604 WeakPolarHBondContact O-CB 3.41Å; D600-A604 PolarHBondContact O-N 3.1Å; D600-Q650 PolarHBondContact OD2-NE2 3Å | ||
| 601 | P | 80.4 | Confident | 75.8 | Confident | 97 Ų | 97 | 81.4 Ų | 81.4 | 63% | 0.63 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.5 | -25.2 | -177.3 | -27.4 | 36 | 0 | 0 | 0 | 115 | L596 Q605 | L596-P601 HydrophobicContact CD1-CB 4.5Å; L596-P601 HydrophobicContact CD1-CG 4.34Å; P601-Q605 WeakPolarHBondContact O-CB 3.49Å; P601-Q605 PolarHBondContact O-N 3.28Å |
| 602 | K | 82.2 | Confident | 77.9 | Confident | 149 Ų | 149 | 74.4 Ų | 74.4 | 65% | 0.648 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -83.9 | -44.7 | -175.7 | -172.3 | -178.2 | 178.3 | -174.8 | 0 | 111.3 | D600 Q605 N606 | D600-K602 PolarHBondContact O-N 2.76Å; D600-K602 VanDerWaalsContact O-N 3.08Å; D600-K602 WeakPolarHBondContact OD1-CA 3.43Å; D600-K602 WeakPolarHBondContact OD1-CB 3.43Å; D600-K602 PolarHBondContact OD1-N 3.41Å; K602-Q605 PolarHBondContact O-N 2.95Å; K602-N606 PolarHBondContact O-N 3.04Å; K602-N606 PolarHBondContact O-ND2 3.11Å; K602-N606 VanDerWaalsContact O-ND2 3.12Å |
| 603 | I | 83.9 | Confident | 79.8 | Confident | 39 Ų | 39 | 67.3 Ų | 67.3 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 170.9 | -66.7 | -176.2 | 0 | 0 | 0 | 109.7 | L599 D600 Q605 N606 L607 P646 | L599-I603 HydrophobicContact CD2-CG2 4.31Å; D600-I603 PolarHBondContact O-N 2.89Å; D600-I603 PolarHBondContact OD1-N 2.75Å; D600-I603 WeakPolarHBondContact OD2-CB 3.36Å; D600-I603 VanDerWaalsContact OD2-CD1 3.26Å; D600-I603 WeakPolarHBondContact OD2-CD1 3.24Å; D600-I603 WeakPolarHBondContact OD2-CG1 3.35Å; I603-Q605 PolarHBondContact O-N 3.4Å; I603-N606 PolarHBondContact O-N 3.26Å; I603-L607 HydrophobicContact CG2-CD1 3.88Å; I603-L607 HydrophobicContact CG2-CG 4.39Å; I603-L607 WeakPolarHBondContact O-CB 3.41Å; I603-L607 WeakPolarHBondContact O-CG 3.21Å; I603-L607 PolarHBondContact O-N 3.37Å; I603-P646 HydrophobicContact CG2-CB 4.41Å; I603-P646 HydrophobicContact CG2-CG 3.97Å |
| 604 | A | 85 | Confident | 81.4 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 5% | 0.05 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L596 L599 D600 L607 S608 P667 | L596-A604 HydrophobicContact CD1-CB 3.85Å; L596-A604 HydrophobicContact CD2-CB 3.82Å; L599-A604 HydrophobicContact CB-CB 4.22Å; D600-A604 VanDerWaalsContact O-CB 3.25Å; D600-A604 WeakPolarHBondContact O-CB 3.41Å; D600-A604 PolarHBondContact O-N 3.1Å; A604-L607 PolarHBondContact O-N 3.48Å; A604-S608 PolarHBondContact O-N 2.98Å; A604-S608 PolarHBondContact O-OG 3.49Å; A604-S608 VanDerWaalsContact O-OG 3.09Å; A604-P667 HydrophobicContact CB-CB 4.27Å; A604-P667 HydrophobicContact CB-CG 4.15Å; A604-P667 WeakPolarHBondContact O-CG 3.48Å |
| 605 | Q | 84.1 | Confident | 82.6 | Confident | 124 Ų | 124 | 69.6 Ų | 69.6 | 58% | 0.579 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.7 | -44.2 | 177.7 | -177.7 | 176.2 | 11.3 | 0 | 0 | 112.8 | P601 K602 I603 L607 S608 I609 | P601-Q605 WeakPolarHBondContact O-CB 3.49Å; P601-Q605 PolarHBondContact O-N 3.28Å; K602-Q605 PolarHBondContact O-N 2.95Å; I603-Q605 PolarHBondContact O-N 3.4Å; Q605-L607 VanDerWaalsContact C-N 3.33Å; Q605-L607 PolarHBondContact O-N 3.49Å; Q605-S608 PolarHBondContact O-N 2.94Å; Q605-I609 HydrophobicContact CG-CD1 4.11Å; Q605-I609 WeakPolarHBondContact O-CG1 3.21Å; Q605-I609 PolarHBondContact O-N 3Å |
| 606 | N | 85.8 | Confident | 83.5 | Confident | 51 Ų | 51 | 64 Ų | 64 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 178.1 | -68.9 | -28.6 | 0 | 0 | 0 | 111.5 | K602 I603 I609 F610 H644 | K602-N606 PolarHBondContact O-N 3.04Å; K602-N606 PolarHBondContact O-ND2 3.11Å; K602-N606 VanDerWaalsContact O-ND2 3.12Å; I603-N606 PolarHBondContact O-N 3.26Å; N606-I609 PolarHBondContact O-N 2.94Å; N606-F610 PolarHBondContact O-N 3.04Å; N606-H644 HydrophobicContact CB-CB 4.44Å |
| 607 | L | 86.9 | Confident | 84.2 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 174.9 | -72.8 | 173.5 | 0 | 0 | 0 | 112.1 | L599 I603 A604 Q605 I609 F610 L611 H644 P646 P667 F670 | L599-L607 HydrophobicContact CD1-CD1 4.02Å; I603-L607 HydrophobicContact CG2-CD1 3.88Å; I603-L607 HydrophobicContact CG2-CG 4.39Å; I603-L607 WeakPolarHBondContact O-CB 3.41Å; I603-L607 WeakPolarHBondContact O-CG 3.21Å; I603-L607 PolarHBondContact O-N 3.37Å; A604-L607 PolarHBondContact O-N 3.48Å; Q605-L607 VanDerWaalsContact C-N 3.33Å; Q605-L607 PolarHBondContact O-N 3.49Å; L607-I609 VanDerWaalsContact C-N 3.27Å; L607-I609 PolarHBondContact O-N 2.97Å; L607-F610 PolarHBondContact O-N 3.34Å; L607-L611 WeakPolarHBondContact O-CB 3.43Å; L607-L611 VanDerWaalsContact O-CG 3.25Å; L607-L611 WeakPolarHBondContact O-CG 3.39Å; L607-L611 PolarHBondContact O-N 3.24Å; L607-H644 HydrophobicContact CD2-CB 4.44Å; L607-H644 WeakPolarHBondContact CD2-O 3.47Å; L607-P646 HydrophobicContact CD1-CG 3.87Å; L607-P667 HydrophobicContact CB-CB 3.84Å; L607-P667 HydrophobicContact CB-CG 4.27Å; L607-P667 HydrophobicContact CD1-CB 4.08Å; L607-F670 HydrophobicContact CD2-CD1 4.09Å; L607-F670 HydrophobicContact CD2-CE1 3.8Å |
| 608 | S | 85.8 | Confident | 84.7 | Confident | 51 Ų | 51 | 62.4 Ų | 62.4 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.5 | -38.3 | 173.7 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | A604 Q605 G612 P667 | A604-S608 PolarHBondContact O-N 2.98Å; A604-S608 PolarHBondContact O-OG 3.49Å; A604-S608 VanDerWaalsContact O-OG 3.09Å; Q605-S608 PolarHBondContact O-N 2.94Å; S608-G612 PolarHBondContact O-N 2.89Å; S608-P667 VanDerWaalsContact OG-CG 3.23Å; S608-P667 WeakPolarHBondContact OG-CG 3.43Å |
| 609 | I | 85.9 | Confident | 85 | Confident | 101 Ų | 101 | 66 Ų | 66 | 52% | 0.518 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.8 | -43.4 | 176.6 | -66.9 | 162.9 | 0 | 0 | 0 | 110.7 | Q605 N606 L607 S613 | Q605-I609 HydrophobicContact CG-CD1 4.11Å; Q605-I609 WeakPolarHBondContact O-CG1 3.21Å; Q605-I609 PolarHBondContact O-N 3Å; N606-I609 PolarHBondContact O-N 2.94Å; L607-I609 VanDerWaalsContact C-N 3.27Å; L607-I609 PolarHBondContact O-N 2.97Å; I609-S613 WeakPolarHBondContact O-CB 3.09Å; I609-S613 PolarHBondContact O-N 3.49Å; I609-S613 PolarHBondContact O-OG 2.93Å |
| 610 | F | 86.1 | Confident | 85.3 | Confident | 10 Ų | 10 | 68.2 Ų | 68.2 | 4% | 0.044 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.5 | -55.5 | 174.5 | 174.4 | -95.6 | 0 | 0 | 0 | 111.6 | N606 L607 G612 S613 Y614 M637 N640 L641 F670 | N606-F610 PolarHBondContact O-N 3.04Å; L607-F610 PolarHBondContact O-N 3.34Å; F610-G612 PolarHBondContact O-N 3.36Å; F610-S613 WeakPolarHBondContact O-CB 3.41Å; F610-S613 PolarHBondContact O-N 3.02Å; F610-Y614 HydrophobicContact CD1-CD2 4.44Å; F610-Y614 AromaticContact CD2-CD2 3.62Å; F610-Y614 HydrophobicContact CD2-CD2 3.62Å; F610-Y614 AromaticContact CD2-CE2 3.5Å; F610-Y614 HydrophobicContact CD2-CE2 3.5Å; F610-Y614 HydrophobicContact CE1-CD2 4.34Å; F610-Y614 AromaticContact CE2-CD2 3.51Å; F610-Y614 HydrophobicContact CE2-CD2 3.51Å; F610-Y614 AromaticContact CE2-CE2 3.33Å; F610-Y614 HydrophobicContact CE2-CE2 3.33Å; F610-Y614 HydrophobicContact CG-CD2 4.1Å; F610-Y614 HydrophobicContact CG-CE2 4.4Å; F610-Y614 AromaticContact CZ-CD2 3.89Å; F610-Y614 HydrophobicContact CZ-CD2 3.89Å; F610-Y614 HydrophobicContact CZ-CE2 4.12Å; F610-Y614 WeakPolarHBondContact O-CD2 3.34Å; F610-Y614 PolarHBondContact O-N 3.38Å; F610-M637 HydrophobicContact CE2-CG 4.39Å; F610-M637 HydrophobicContact CZ-CG 4.21Å; F610-N640 HydrophobicContact CD2-CB 3.93Å; F610-N640 HydrophobicContact CE2-CB 4.02Å; F610-L641 HydrophobicContact CE1-CD1 4.45Å; F610-L641 HydrophobicContact CE2-CB 4.39Å; F610-L641 HydrophobicContact CZ-CB 4.12Å; F610-L641 HydrophobicContact CZ-CD1 4.47Å; F610-F670 HydrophobicContact CE1-CZ 4.22Å |
| 611 | L | 85.9 | Confident | 85.6 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | -177.7 | -62.7 | 172 | 0 | 0 | 0 | 112.3 | L607 S613 Y614 R615 Y618 I621 E666 F670 | L607-L611 WeakPolarHBondContact O-CB 3.43Å; L607-L611 VanDerWaalsContact O-CG 3.25Å; L607-L611 WeakPolarHBondContact O-CG 3.39Å; L607-L611 PolarHBondContact O-N 3.24Å; L611-S613 PolarHBondContact O-N 3.22Å; L611-Y614 PolarHBondContact O-N 3.35Å; L611-R615 WeakPolarHBondContact O-CA 3.43Å; L611-R615 PolarHBondContact O-N 2.91Å; L611-Y618 HydrophobicContact CD1-CE1 4.18Å; L611-Y618 HydrophobicContact CD2-CD1 4.01Å; L611-Y618 HydrophobicContact CD2-CE1 3.89Å; L611-Y618 HydrophobicContact CG-CE1 4.45Å; L611-I621 HydrophobicContact CD2-CD1 4.37Å; L611-E666 HydrophobicContact CD1-CG 4.49Å; L611-F670 HydrophobicContact CD1-CB 3.67Å; L611-F670 HydrophobicContact CD1-CD1 4.32Å; L611-F670 HydrophobicContact CD1-CD2 4.44Å; L611-F670 HydrophobicContact CD1-CG 3.92Å; L611-F670 HydrophobicContact CD2-CB 4.35Å; L611-F670 HydrophobicContact CD2-CD1 4.35Å; L611-F670 HydrophobicContact CD2-CD2 3.57Å; L611-F670 HydrophobicContact CD2-CE2 3.79Å; L611-F670 HydrophobicContact CD2-CG 3.85Å; L611-F670 HydrophobicContact CD2-CZ 4.26Å; L611-F670 HydrophobicContact CG-CG 4.44Å |
| 612 | G | 83.8 | Confident | 86 | Confident | 35 Ų | 35 | 63.5 Ų | 63.5 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.3 | -17.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | S608 F610 R615 | S608-G612 PolarHBondContact O-N 2.89Å; F610-G612 PolarHBondContact O-N 3.36Å; G612-R615 WeakPolarHBondContact O-CG 3.43Å; G612-R615 PolarHBondContact O-NE 2.98Å |
| 613 | S | 83.4 | Confident | 86.4 | Confident | 84 Ų | 84 | 60 Ų | 60 | 59% | 0.587 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -88.5 | -48.6 | 174.9 | -56.4 | 0 | 0 | 0 | 0 | 112 | I609 F610 L611 | I609-S613 WeakPolarHBondContact O-CB 3.09Å; I609-S613 PolarHBondContact O-N 3.49Å; I609-S613 PolarHBondContact O-OG 2.93Å; F610-S613 WeakPolarHBondContact O-CB 3.41Å; F610-S613 PolarHBondContact O-N 3.02Å; L611-S613 PolarHBondContact O-N 3.22Å |
| 614 | Y | 80.6 | Confident | 86.7 | Confident | 69 Ų | 69 | 58.1 Ų | 58.1 | 27% | 0.271 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -82.2 | -27.7 | -177.4 | -73.3 | -81.2 | 0 | 0 | 0 | 114.2 | F610 L611 M616 M637 | F610-Y614 HydrophobicContact CD1-CD2 4.44Å; F610-Y614 AromaticContact CD2-CD2 3.62Å; F610-Y614 HydrophobicContact CD2-CD2 3.62Å; F610-Y614 AromaticContact CD2-CE2 3.5Å; F610-Y614 HydrophobicContact CD2-CE2 3.5Å; F610-Y614 HydrophobicContact CE1-CD2 4.34Å; F610-Y614 AromaticContact CE2-CD2 3.51Å; F610-Y614 HydrophobicContact CE2-CD2 3.51Å; F610-Y614 AromaticContact CE2-CE2 3.33Å; F610-Y614 HydrophobicContact CE2-CE2 3.33Å; F610-Y614 HydrophobicContact CG-CD2 4.1Å; F610-Y614 HydrophobicContact CG-CE2 4.4Å; F610-Y614 AromaticContact CZ-CD2 3.89Å; F610-Y614 HydrophobicContact CZ-CD2 3.89Å; F610-Y614 HydrophobicContact CZ-CE2 4.12Å; F610-Y614 WeakPolarHBondContact O-CD2 3.34Å; F610-Y614 PolarHBondContact O-N 3.38Å; L611-Y614 PolarHBondContact O-N 3.35Å; Y614-M616 HydrophobicContact CD1-CE 4.22Å; Y614-M616 PolarHBondContact O-N 2.89Å; Y614-M637 HydrophobicContact CD1-CG 4.15Å; Y614-M637 HydrophobicContact CD1-SD 4.09Å; Y614-M637 HydrophobicContact CE1-CB 3.73Å; Y614-M637 HydrophobicContact CE1-CG 3.78Å; Y614-M637 HydrophobicContact CE1-SD 4.13Å; Y614-M637 HydrophobicContact CE2-CG 4.5Å; Y614-M637 WeakPolarHBondContact OH-CA 3.37Å; Y614-M637 PolarHBondContact OH-N 3.39Å |
| 615 | R | 83.9 | Confident | 87 | Confident | 213 Ų | 213 | 57.9 Ų | 57.9 | 80% | 0.804 | 29% | 0.288 | S | S | * | . | trans | 54 | 20 | 170.4 | -57 | -174.9 | 177.9 | -170.2 | -0.9 | 117.2 | L611 G612 | L611-R615 WeakPolarHBondContact O-CA 3.43Å; L611-R615 PolarHBondContact O-N 2.91Å; G612-R615 WeakPolarHBondContact O-CG 3.43Å; G612-R615 PolarHBondContact O-NE 2.98Å | ||
| 616 | M | 84.9 | Confident | 87.3 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 26% | 0.261 | 26% | 0.262 | S | S | . | . | trans | -89.8 | 150.4 | 177.7 | -72.6 | -178.1 | -78.6 | 0 | 0 | 112.6 | Y614 I621 M624 M637 | Y614-M616 HydrophobicContact CD1-CE 4.22Å; Y614-M616 PolarHBondContact O-N 2.89Å; M616-I621 HydrophobicContact CB-CD1 4.32Å; M616-I621 HydrophobicContact CB-CG1 4.1Å; M616-M624 HydrophobicContact CE-CE 4Å; M616-M624 HydrophobicContact SD-CE 3.77Å; M616-M637 HydrophobicContact CE-CE 3.68Å; M616-M637 HydrophobicContact CE-SD 3.87Å | ||
| 617 | P | 90 | Very high | 87.5 | Confident | 85 Ų | 85 | 51.8 Ų | 51.8 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | trans | -57.9 | 138.1 | 170.5 | -20.8 | 32.1 | 0 | 0 | 0 | 111.2 | Q619 E620 I621 | P617-Q619 PolarHBondContact O-N 3.17Å; P617-Q619 VanDerWaalsContact O-N 3.15Å; P617-E620 HydrophobicContact CB-CB 4.25Å; P617-E620 HydrophobicContact CG-CB 4.48Å; P617-E620 WeakPolarHBondContact O-CA 3.3Å; P617-E620 WeakPolarHBondContact O-CB 3.26Å; P617-E620 PolarHBondContact O-N 2.99Å; P617-I621 PolarHBondContact O-N 2.87Å | ||
| 618 | Y | 90 | Very high | 87.7 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.8 | -24.8 | -174.4 | -42.3 | -37.8 | 0 | 0 | 0 | 113.1 | L611 E620 I621 R622 E666 Q669 F670 V673 | L611-Y618 HydrophobicContact CD1-CE1 4.18Å; L611-Y618 HydrophobicContact CD2-CD1 4.01Å; L611-Y618 HydrophobicContact CD2-CE1 3.89Å; L611-Y618 HydrophobicContact CG-CE1 4.45Å; Y618-E620 VanDerWaalsContact C-N 3.34Å; Y618-I621 PolarHBondContact O-N 3.06Å; Y618-R622 PolarHBondContact O-N 3.18Å; Y618-E666 WeakPolarHBondContact OH-CG 3.28Å; Y618-E666 PolarHBondContact OH-OE1 2.78Å; Y618-Q669 HydrophobicContact CD2-CB 4.31Å; Y618-Q669 HydrophobicContact CE2-CB 3.99Å; Y618-F670 HydrophobicContact CD1-CB 4.28Å; Y618-F670 AromaticContact CD1-CD2 3.8Å; Y618-F670 HydrophobicContact CD1-CD2 3.8Å; Y618-F670 HydrophobicContact CD2-CB 4.22Å; Y618-F670 HydrophobicContact CG-CB 4.13Å; Y618-F670 AromaticContact CG-CD2 3.93Å; Y618-F670 HydrophobicContact CG-CD2 3.93Å; Y618-V673 WeakPolarHBondContact O-CG1 3.29Å |
| 619 | Q | 88.3 | Confident | 87.8 | Confident | 110 Ų | 110 | 50.9 Ų | 50.9 | 51% | 0.514 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70.7 | -29 | 171.5 | -61.7 | -64.3 | -6.3 | 0 | 0 | 112.6 | P617 R623 | P617-Q619 PolarHBondContact O-N 3.17Å; P617-Q619 VanDerWaalsContact O-N 3.15Å; Q619-R623 WeakPolarHBondContact O-CB 3.15Å; Q619-R623 PolarHBondContact O-N 3.3Å |
| 620 | E | 90.1 | Very high | 87.6 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.8 | -47.6 | 171.4 | -156.6 | 66.2 | -162.7 | 0 | 0 | 109.6 | P617 Y618 R622 R623 M624 | P617-E620 HydrophobicContact CB-CB 4.25Å; P617-E620 HydrophobicContact CG-CB 4.48Å; P617-E620 WeakPolarHBondContact O-CA 3.3Å; P617-E620 WeakPolarHBondContact O-CB 3.26Å; P617-E620 PolarHBondContact O-N 2.99Å; Y618-E620 VanDerWaalsContact C-N 3.34Å; E620-R622 PolarHBondContact O-N 3.38Å; E620-R623 PolarHBondContact O-N 2.99Å; E620-R623 VanDerWaalsContact O-N 3.08Å; E620-R623 IonicContact OE1-CZ 2.7Å; E620-R623 VanDerWaalsContact OE1-CZ 3.22Å; E620-R623 IonicContact OE1-NH1 3.55Å; E620-R623 PolarHBondContact OE1-NH1 3.13Å; E620-R623 IonicContact OE1-NH2 2.69Å; E620-R623 PolarHBondContact OE1-NH2 3.28Å; E620-R623 IonicContact OE2-CZ 3.91Å; E620-R623 IonicContact OE2-NH1 2.64Å; E620-R623 PolarHBondContact OE2-NH1 3.26Å; E620-M624 HydrophobicContact CG-CE 4.42Å; E620-M624 WeakPolarHBondContact O-CG 3.4Å; E620-M624 PolarHBondContact O-N 3.31Å |
| 621 | I | 89.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 177.6 | -54.9 | 174.4 | 0 | 0 | 0 | 110.8 | L611 M616 P617 Y618 M624 I625 M637 F670 M674 | L611-I621 HydrophobicContact CD2-CD1 4.37Å; M616-I621 HydrophobicContact CB-CD1 4.32Å; M616-I621 HydrophobicContact CB-CG1 4.1Å; P617-I621 PolarHBondContact O-N 2.87Å; Y618-I621 PolarHBondContact O-N 3.06Å; I621-M624 HydrophobicContact CB-CE 4.45Å; I621-M624 HydrophobicContact CG1-CE 4.23Å; I621-I625 HydrophobicContact CG2-CD1 3.91Å; I621-I625 VanDerWaalsContact O-CD1 3.26Å; I621-I625 WeakPolarHBondContact O-CD1 3.23Å; I621-I625 VanDerWaalsContact O-CG1 3.31Å; I621-I625 WeakPolarHBondContact O-CG1 3.38Å; I621-I625 PolarHBondContact O-N 3.08Å; I621-M637 HydrophobicContact CG1-CE 4.21Å; I621-M637 HydrophobicContact CG2-CE 3.99Å; I621-F670 HydrophobicContact CD1-CE2 3.98Å; I621-F670 HydrophobicContact CG2-CE2 4.21Å; I621-M674 HydrophobicContact CG2-CE 3.94Å; I621-M674 HydrophobicContact CG2-SD 4.47Å |
| 622 | R | 89.8 | Confident | 87.6 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 20% | 0.2 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.3 | -51.6 | 170 | -178 | -166.3 | -178.9 | -86.6 | -2.6 | 110.9 | Y618 E620 I625 V626 V673 S676 M677 D828 | Y618-R622 PolarHBondContact O-N 3.18Å; E620-R622 PolarHBondContact O-N 3.38Å; R622-I625 PolarHBondContact O-N 2.64Å; R622-V626 HydrophobicContact CG-CG2 4.15Å; R622-V626 WeakPolarHBondContact O-CB 3.34Å; R622-V626 VanDerWaalsContact O-CG2 3.28Å; R622-V626 WeakPolarHBondContact O-CG2 3.47Å; R622-V626 PolarHBondContact O-N 2.64Å; R622-V673 HydrophobicContact CB-CG1 3.96Å; R622-S676 PolarHBondContact NE-OG 3.05Å; R622-M677 HydrophobicContact CB-CE 4.37Å; R622-M677 HydrophobicContact CG-CE 4.19Å; R622-M677 HydrophobicContact CG-CG 4.12Å; R622-M677 HydrophobicContact CG-SD 3.99Å; R622-D828 IonicContact CZ-OD2 3.48Å; R622-D828 IonicContact NH1-OD2 2.69Å; R622-D828 PolarHBondContact NH1-OD2 2.94Å; R622-D828 IonicContact NH2-OD2 3.58Å; R622-D828 PolarHBondContact NH2-OD2 3.5Å |
| 623 | R | 90.8 | Very high | 87.9 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 29% | 0.287 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.1 | -50.3 | -173.9 | -163.2 | -170.2 | 73.2 | -108.4 | -8.1 | 111.1 | Q619 E620 I625 V626 E627 | Q619-R623 WeakPolarHBondContact O-CB 3.15Å; Q619-R623 PolarHBondContact O-N 3.3Å; E620-R623 PolarHBondContact O-N 2.99Å; E620-R623 VanDerWaalsContact O-N 3.08Å; E620-R623 IonicContact OE1-CZ 2.7Å; E620-R623 VanDerWaalsContact OE1-CZ 3.22Å; E620-R623 IonicContact OE1-NH1 3.55Å; E620-R623 PolarHBondContact OE1-NH1 3.13Å; E620-R623 IonicContact OE1-NH2 2.69Å; E620-R623 PolarHBondContact OE1-NH2 3.28Å; E620-R623 IonicContact OE2-CZ 3.91Å; E620-R623 IonicContact OE2-NH1 2.64Å; E620-R623 PolarHBondContact OE2-NH1 3.26Å; R623-I625 VanDerWaalsContact C-N 3.28Å; R623-I625 PolarHBondContact O-N 2.73Å; R623-V626 PolarHBondContact O-N 2.84Å; R623-V626 VanDerWaalsContact O-N 3.09Å; R623-E627 VanDerWaalsContact CD-OE1 3.26Å; R623-E627 WeakPolarHBondContact CD-OE1 3.35Å; R623-E627 VanDerWaalsContact CD-OE2 3.3Å; R623-E627 WeakPolarHBondContact CD-OE2 3.44Å; R623-E627 HydrophobicContact CG-CG 4.18Å; R623-E627 WeakPolarHBondContact CG-OE1 3.41Å; R623-E627 VanDerWaalsContact CG-OE2 3.29Å; R623-E627 WeakPolarHBondContact CG-OE2 3.29Å; R623-E627 IonicContact NE-OE1 3.84Å; R623-E627 IonicContact NE-OE2 2.73Å; R623-E627 PolarHBondContact NE-OE2 3.36Å; R623-E627 VanDerWaalsContact NE-OE2 3.12Å; R623-E627 WeakPolarHBondContact O-CB 3.38Å; R623-E627 PolarHBondContact O-N 2.74Å |
| 624 | M | 90.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.9 | -40.3 | 178.1 | -66.9 | -178.4 | -67.8 | 0 | 0 | 112.7 | M616 E620 I621 V628 D629 Q632 L633 M637 | M616-M624 HydrophobicContact CE-CE 4Å; M616-M624 HydrophobicContact SD-CE 3.77Å; E620-M624 HydrophobicContact CG-CE 4.42Å; E620-M624 WeakPolarHBondContact O-CG 3.4Å; E620-M624 PolarHBondContact O-N 3.31Å; I621-M624 HydrophobicContact CB-CE 4.45Å; I621-M624 HydrophobicContact CG1-CE 4.23Å; M624-V628 CarbonylContact O-C 3.49Å; M624-V628 WeakPolarHBondContact O-CA 3.41Å; M624-V628 PolarHBondContact O-N 2.74Å; M624-D629 HydrophobicContact CB-CB 4.05Å; M624-D629 HydrophobicContact CG-CB 4.13Å; M624-D629 PolarHBondContact O-N 3.41Å; M624-Q632 HydrophobicContact CG-CB 4.32Å; M624-Q632 HydrophobicContact SD-CB 3.4Å; M624-Q632 WeakPolarHBondContact SD-CB 3.48Å; M624-Q632 HydrophobicContact SD-CG 4.27Å; M624-L633 HydrophobicContact CB-CD1 4.45Å; M624-L633 HydrophobicContact CB-CD2 3.63Å; M624-L633 HydrophobicContact CB-CG 4.01Å; M624-L633 WeakPolarHBondContact O-CD1 3.41Å; M624-L633 HydrophobicContact SD-CD2 4.34Å; M624-M637 HydrophobicContact CE-CE 3.96Å |
| 625 | I | 91.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72 | -33.4 | 178.8 | -66.7 | 161.6 | 0 | 0 | 0 | 112.6 | I621 R622 R623 L633 L641 M674 M677 L680 L684 I687 | I621-I625 HydrophobicContact CG2-CD1 3.91Å; I621-I625 VanDerWaalsContact O-CD1 3.26Å; I621-I625 WeakPolarHBondContact O-CD1 3.23Å; I621-I625 VanDerWaalsContact O-CG1 3.31Å; I621-I625 WeakPolarHBondContact O-CG1 3.38Å; I621-I625 PolarHBondContact O-N 3.08Å; R622-I625 PolarHBondContact O-N 2.64Å; R623-I625 VanDerWaalsContact C-N 3.28Å; R623-I625 PolarHBondContact O-N 2.73Å; I625-L633 HydrophobicContact CG1-CD2 4.47Å; I625-L641 HydrophobicContact CD1-CD2 3.71Å; I625-M674 HydrophobicContact CD1-CE 3.57Å; I625-M677 HydrophobicContact CB-SD 4.12Å; I625-M677 HydrophobicContact CD1-CE 4.3Å; I625-M677 HydrophobicContact CG2-CE 4.48Å; I625-M677 HydrophobicContact CG2-SD 3.76Å; I625-L680 HydrophobicContact CG2-CD1 4.18Å; I625-L684 HydrophobicContact CD1-CD2 3.89Å; I625-L684 HydrophobicContact CG1-CD2 4.13Å; I625-L684 HydrophobicContact CG2-CD2 4.24Å; I625-I687 HydrophobicContact CG2-CD1 4.01Å |
| 626 | V | 89.8 | Confident | 88.9 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -79.3 | -40.1 | -179.6 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | R622 R623 V628 M677 D831 M832 F833 | R622-V626 HydrophobicContact CG-CG2 4.15Å; R622-V626 WeakPolarHBondContact O-CB 3.34Å; R622-V626 VanDerWaalsContact O-CG2 3.28Å; R622-V626 WeakPolarHBondContact O-CG2 3.47Å; R622-V626 PolarHBondContact O-N 2.64Å; R623-V626 PolarHBondContact O-N 2.84Å; R623-V626 VanDerWaalsContact O-N 3.09Å; V626-V628 VanDerWaalsContact C-N 3.32Å; V626-M677 HydrophobicContact CG2-CG 3.94Å; V626-M677 HydrophobicContact CG2-SD 3.67Å; V626-D831 HydrophobicContact CG1-CB 3.99Å; V626-M832 PolarHBondContact O-N 2.9Å; V626-M832 VanDerWaalsContact O-N 3.1Å; V626-F833 PolarHBondContact O-N 3.26Å |
| 627 | E | 90.4 | Very high | 89.1 | Confident | 44 Ų | 44 | 48.6 Ų | 48.6 | 21% | 0.206 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -81.9 | -11.6 | 176.3 | -70.4 | 169.3 | -173.8 | 0 | 0 | 112.7 | R623 N830 K836 | R623-E627 VanDerWaalsContact CD-OE1 3.26Å; R623-E627 WeakPolarHBondContact CD-OE1 3.35Å; R623-E627 VanDerWaalsContact CD-OE2 3.3Å; R623-E627 WeakPolarHBondContact CD-OE2 3.44Å; R623-E627 HydrophobicContact CG-CG 4.18Å; R623-E627 WeakPolarHBondContact CG-OE1 3.41Å; R623-E627 VanDerWaalsContact CG-OE2 3.29Å; R623-E627 WeakPolarHBondContact CG-OE2 3.29Å; R623-E627 IonicContact NE-OE1 3.84Å; R623-E627 IonicContact NE-OE2 2.73Å; R623-E627 PolarHBondContact NE-OE2 3.36Å; R623-E627 VanDerWaalsContact NE-OE2 3.12Å; R623-E627 WeakPolarHBondContact O-CB 3.38Å; R623-E627 PolarHBondContact O-N 2.74Å; E627-N830 HydrophobicContact CG-CB 4.34Å; E627-N830 WeakPolarHBondContact CG-O 3.38Å; E627-N830 PolarHBondContact OE1-ND2 3.42Å; E627-K836 WeakPolarHBondContact O-CD 3.44Å; E627-K836 PolarHBondContact O-NZ 2.92Å |
| 628 | V | 90.4 | Very high | 89.2 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 64.2 | -170.8 | -172 | 0 | 0 | 0 | 0 | 110.8 | M624 V626 E630 I687 F833 K836 M837 | M624-V628 CarbonylContact O-C 3.49Å; M624-V628 WeakPolarHBondContact O-CA 3.41Å; M624-V628 PolarHBondContact O-N 2.74Å; V626-V628 VanDerWaalsContact C-N 3.32Å; V628-E630 PolarHBondContact O-N 3.22Å; V628-I687 HydrophobicContact CG1-CG1 4.15Å; V628-I687 HydrophobicContact CG2-CD1 4.12Å; V628-I687 HydrophobicContact CG2-CG1 4.25Å; V628-F833 HydrophobicContact CG2-CB 4.13Å; V628-F833 HydrophobicContact CG2-CD2 3.84Å; V628-F833 HydrophobicContact CG2-CG 4.45Å; V628-K836 HydrophobicContact CB-CD 3.8Å; V628-K836 HydrophobicContact CG1-CD 4.34Å; V628-K836 PolarHBondContact O-NZ 3.49Å; V628-M837 HydrophobicContact CG1-CE 3.77Å |
| 629 | D | 87.3 | Confident | 89.3 | Confident | 30 Ų | 30 | 46.4 Ų | 46.4 | 16% | 0.16 | 23% | 0.229 | C | C | . | . | trans | -75.7 | 98.5 | -178.6 | -172.1 | -20 | 0 | 0 | 0 | 110.8 | M624 D631 Q632 L633 | M624-D629 HydrophobicContact CB-CB 4.05Å; M624-D629 HydrophobicContact CG-CB 4.13Å; M624-D629 PolarHBondContact O-N 3.41Å; D629-D631 VanDerWaalsContact C-N 3.3Å; D629-D631 PolarHBondContact O-N 3.24Å; D629-D631 PolarHBondContact OD1-N 3.01Å; D629-Q632 PolarHBondContact O-N 2.72Å; D629-Q632 PolarHBondContact OD1-N 2.89Å; D629-Q632 PolarHBondContact OD2-NE2 3.44Å; D629-L633 WeakPolarHBondContact O-CB 3.47Å; D629-L633 WeakPolarHBondContact O-CG 3.26Å; D629-L633 PolarHBondContact O-N 3.31Å | ||
| 630 | E | 83.1 | Confident | 89.3 | Confident | 78 Ų | 78 | 43.7 Ų | 43.7 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -20.5 | -174.7 | -56.5 | -172.8 | 167.2 | 0 | 0 | 113 | V628 R690 | V628-E630 PolarHBondContact O-N 3.22Å; E630-R690 VanDerWaalsContact CD-NH2 3.31Å; E630-R690 IonicContact OE1-CZ 3.83Å; E630-R690 IonicContact OE1-NE 3.68Å; E630-R690 PolarHBondContact OE1-NE 3.36Å; E630-R690 IonicContact OE1-NH2 3.24Å; E630-R690 PolarHBondContact OE1-NH2 3.14Å; E630-R690 IonicContact OE2-CZ 2.84Å; E630-R690 IonicContact OE2-NE 2.62Å; E630-R690 IonicContact OE2-NH2 2.81Å; E630-R690 PolarHBondContact OE2-NH2 2.69Å |
| 631 | D | 85.4 | Confident | 89.2 | Confident | 162 Ų | 162 | 41.1 Ų | 41.1 | 87% | 0.866 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -27.1 | 178.7 | -66.5 | -45.9 | 0 | 0 | 0 | 112 | D629 | D629-D631 VanDerWaalsContact C-N 3.3Å; D629-D631 PolarHBondContact O-N 3.24Å; D629-D631 PolarHBondContact OD1-N 3.01Å |
| 632 | Q | 85.8 | Confident | 89.1 | Confident | 84 Ų | 84 | 43.6 Ų | 43.6 | 39% | 0.393 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -25.7 | -179.1 | -60 | -167.4 | 86.8 | 0 | 0 | 114.3 | M624 D629 T634 | M624-Q632 HydrophobicContact CG-CB 4.32Å; M624-Q632 HydrophobicContact SD-CB 3.4Å; M624-Q632 WeakPolarHBondContact SD-CB 3.48Å; M624-Q632 HydrophobicContact SD-CG 4.27Å; D629-Q632 PolarHBondContact O-N 2.72Å; D629-Q632 PolarHBondContact OD1-N 2.89Å; D629-Q632 PolarHBondContact OD2-NE2 3.44Å; Q632-T634 PolarHBondContact O-N 2.91Å; Q632-T634 VanDerWaalsContact O-N 3.17Å |
| 633 | L | 89.8 | Confident | 89.1 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | trans | -83.1 | 92.5 | 179.5 | -66.3 | -175.8 | 0 | 0 | 0 | 112.3 | M624 I625 D629 M637 I638 I687 L691 | M624-L633 HydrophobicContact CB-CD1 4.45Å; M624-L633 HydrophobicContact CB-CD2 3.63Å; M624-L633 HydrophobicContact CB-CG 4.01Å; M624-L633 WeakPolarHBondContact O-CD1 3.41Å; M624-L633 HydrophobicContact SD-CD2 4.34Å; I625-L633 HydrophobicContact CG1-CD2 4.47Å; D629-L633 WeakPolarHBondContact O-CB 3.47Å; D629-L633 WeakPolarHBondContact O-CG 3.26Å; D629-L633 PolarHBondContact O-N 3.31Å; L633-M637 HydrophobicContact CD2-CE 4.49Å; L633-I638 HydrophobicContact CB-CD1 4.4Å; L633-I638 HydrophobicContact CB-CG1 4.45Å; L633-I638 HydrophobicContact CD1-CD1 4.23Å; L633-I638 HydrophobicContact CD2-CD1 4Å; L633-I638 HydrophobicContact CG-CD1 4.44Å; L633-I687 HydrophobicContact CD1-CG2 3.94Å; L633-L691 VanDerWaalsContact O-CD1 3.23Å; L633-L691 WeakPolarHBondContact O-CD1 3.45Å; L633-L691 WeakPolarHBondContact O-CD2 3.39Å | ||
| 634 | T | 89.9 | Confident | 88.7 | Confident | 73 Ų | 73 | 46.6 Ų | 46.6 | 45% | 0.448 | 24% | 0.238 | S | C | . | . | trans | -76.6 | 146.2 | 173.7 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | Q632 M637 I638 | Q632-T634 PolarHBondContact O-N 2.91Å; Q632-T634 VanDerWaalsContact O-N 3.17Å; T634-M637 WeakPolarHBondContact O-CB 3.42Å; T634-M637 PolarHBondContact O-N 3.33Å; T634-M637 WeakPolarHBondContact OG1-CB 3.43Å; T634-I638 PolarHBondContact O-N 3.34Å; T634-I638 VanDerWaalsContact O-N 3.13Å | ||
| 635 | E | 90.2 | Very high | 88.5 | Confident | 57 Ų | 57 | 46.9 Ų | 46.9 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -54 | -47.5 | 178.4 | 179 | -142.4 | -172.5 | 0 | 0 | 112.8 | M637 I638 Q639 L688 L691 Q692 | E635-M637 VanDerWaalsContact C-N 3.25Å; E635-M637 PolarHBondContact O-N 2.92Å; E635-I638 PolarHBondContact O-N 3.19Å; E635-I638 VanDerWaalsContact O-N 3.16Å; E635-Q639 HydrophobicContact CG-CG 4.24Å; E635-Q639 WeakPolarHBondContact O-CG 3.3Å; E635-Q639 PolarHBondContact O-N 3.08Å; E635-Q639 PolarHBondContact OE1-NE2 2.94Å; E635-L688 HydrophobicContact CG-CD1 3.72Å; E635-L691 HydrophobicContact CB-CB 4.42Å; E635-Q692 HydrophobicContact CG-CG 3.87Å; E635-Q692 WeakPolarHBondContact OE1-CG 3.44Å; E635-Q692 PolarHBondContact OE1-NE2 3.08Å |
| 636 | P | 90.1 | Very high | 88.4 | Confident | 63 Ų | 63 | 46.9 Ų | 46.9 | 41% | 0.409 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.8 | -29.2 | 177.4 | -23.9 | 35.7 | 0 | 0 | 0 | 113.7 | N640 | P636-N640 WeakPolarHBondContact O-CB 3.26Å; P636-N640 PolarHBondContact O-N 2.91Å; P636-N640 VanDerWaalsContact O-N 3.09Å; P636-N640 PolarHBondContact O-ND2 2.92Å |
| 637 | M | 89.4 | Confident | 88.2 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.7 | -46.3 | 175 | -177.7 | 178.3 | 167.5 | 0 | 0 | 110.7 | F610 Y614 M616 I621 M624 L633 T634 E635 L641 | F610-M637 HydrophobicContact CE2-CG 4.39Å; F610-M637 HydrophobicContact CZ-CG 4.21Å; Y614-M637 HydrophobicContact CD1-CG 4.15Å; Y614-M637 HydrophobicContact CD1-SD 4.09Å; Y614-M637 HydrophobicContact CE1-CB 3.73Å; Y614-M637 HydrophobicContact CE1-CG 3.78Å; Y614-M637 HydrophobicContact CE1-SD 4.13Å; Y614-M637 HydrophobicContact CE2-CG 4.5Å; Y614-M637 WeakPolarHBondContact OH-CA 3.37Å; Y614-M637 PolarHBondContact OH-N 3.39Å; M616-M637 HydrophobicContact CE-CE 3.68Å; M616-M637 HydrophobicContact CE-SD 3.87Å; I621-M637 HydrophobicContact CG1-CE 4.21Å; I621-M637 HydrophobicContact CG2-CE 3.99Å; M624-M637 HydrophobicContact CE-CE 3.96Å; L633-M637 HydrophobicContact CD2-CE 4.49Å; T634-M637 WeakPolarHBondContact O-CB 3.42Å; T634-M637 PolarHBondContact O-N 3.33Å; T634-M637 WeakPolarHBondContact OG1-CB 3.43Å; E635-M637 VanDerWaalsContact C-N 3.25Å; E635-M637 PolarHBondContact O-N 2.92Å; M637-L641 VanDerWaalsContact O-CB 3.24Å; M637-L641 WeakPolarHBondContact O-CB 3.46Å; M637-L641 PolarHBondContact O-N 3.13Å |
| 638 | I | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 178 | -57.9 | -61.7 | 0 | 0 | 0 | 111.4 | L633 T634 E635 N640 L641 V642 L684 I687 L688 L691 | L633-I638 HydrophobicContact CB-CD1 4.4Å; L633-I638 HydrophobicContact CB-CG1 4.45Å; L633-I638 HydrophobicContact CD1-CD1 4.23Å; L633-I638 HydrophobicContact CD2-CD1 4Å; L633-I638 HydrophobicContact CG-CD1 4.44Å; T634-I638 PolarHBondContact O-N 3.34Å; T634-I638 VanDerWaalsContact O-N 3.13Å; E635-I638 PolarHBondContact O-N 3.19Å; E635-I638 VanDerWaalsContact O-N 3.16Å; I638-N640 PolarHBondContact O-N 3.02Å; I638-L641 PolarHBondContact O-N 3Å; I638-V642 HydrophobicContact CG2-CG2 4.17Å; I638-V642 WeakPolarHBondContact O-CG2 3.5Å; I638-V642 PolarHBondContact O-N 2.9Å; I638-L684 HydrophobicContact CD1-CD2 4.09Å; I638-L684 HydrophobicContact CG2-CD2 4.43Å; I638-L684 WeakPolarHBondContact CG2-O 3.33Å; I638-I687 HydrophobicContact CD1-CG2 4.08Å; I638-I687 HydrophobicContact CG1-CG2 4.01Å; I638-L688 HydrophobicContact CB-CD1 4.47Å; I638-L688 HydrophobicContact CG2-CB 3.72Å; I638-L688 HydrophobicContact CG2-CD1 4.39Å; I638-L691 HydrophobicContact CG1-CD1 3.94Å |
| 639 | Q | 91 | Very high | 87.7 | Confident | 77 Ų | 77 | 60.4 Ų | 60.4 | 36% | 0.36 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.4 | -50.9 | 175.4 | -74.4 | -172.6 | 5 | 0 | 0 | 112 | E635 L641 V642 K643 L688 | E635-Q639 HydrophobicContact CG-CG 4.24Å; E635-Q639 WeakPolarHBondContact O-CG 3.3Å; E635-Q639 PolarHBondContact O-N 3.08Å; E635-Q639 PolarHBondContact OE1-NE2 2.94Å; Q639-L641 VanDerWaalsContact C-N 3.3Å; Q639-L641 PolarHBondContact O-N 3.5Å; Q639-V642 PolarHBondContact O-N 3.03Å; Q639-K643 WeakPolarHBondContact O-CB 3.38Å; Q639-K643 PolarHBondContact O-N 2.96Å; Q639-L688 HydrophobicContact CG-CD1 3.6Å; Q639-L688 HydrophobicContact CG-CD2 4.07Å |
| 640 | N | 88.6 | Confident | 87.7 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 178.9 | -76.9 | -62.5 | 0 | 0 | 0 | 111.6 | F610 P636 I638 K643 H644 | F610-N640 HydrophobicContact CD2-CB 3.93Å; F610-N640 HydrophobicContact CE2-CB 4.02Å; P636-N640 WeakPolarHBondContact O-CB 3.26Å; P636-N640 PolarHBondContact O-N 2.91Å; P636-N640 VanDerWaalsContact O-N 3.09Å; P636-N640 PolarHBondContact O-ND2 2.92Å; I638-N640 PolarHBondContact O-N 3.02Å; N640-K643 PolarHBondContact O-N 2.88Å; N640-H644 WeakPolarHBondContact O-CB 3.32Å; N640-H644 PolarHBondContact O-CD2 2.84Å; N640-H644 VanDerWaalsContact O-CD2 3.23Å; N640-H644 PolarHBondContact O-N 3.35Å |
| 641 | L | 88 | Confident | 87.9 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.2 | -48.5 | 175.3 | -177.4 | 53.3 | 0 | 0 | 0 | 111.8 | F610 I625 M637 I638 Q639 K643 H644 L645 F670 M674 L684 | F610-L641 HydrophobicContact CE1-CD1 4.45Å; F610-L641 HydrophobicContact CE2-CB 4.39Å; F610-L641 HydrophobicContact CZ-CB 4.12Å; F610-L641 HydrophobicContact CZ-CD1 4.47Å; I625-L641 HydrophobicContact CD1-CD2 3.71Å; M637-L641 VanDerWaalsContact O-CB 3.24Å; M637-L641 WeakPolarHBondContact O-CB 3.46Å; M637-L641 PolarHBondContact O-N 3.13Å; I638-L641 PolarHBondContact O-N 3Å; Q639-L641 VanDerWaalsContact C-N 3.3Å; Q639-L641 PolarHBondContact O-N 3.5Å; L641-K643 VanDerWaalsContact C-N 3.31Å; L641-K643 PolarHBondContact O-N 3.39Å; L641-H644 PolarHBondContact O-N 3.1Å; L641-L645 HydrophobicContact CD1-CD1 4.04Å; L641-L645 VanDerWaalsContact O-CB 3.28Å; L641-L645 WeakPolarHBondContact O-CB 3.46Å; L641-L645 PolarHBondContact O-N 3.47Å; L641-F670 HydrophobicContact CD1-CE1 4.06Å; L641-F670 HydrophobicContact CD1-CZ 3.7Å; L641-M674 HydrophobicContact CD1-CE 4.1Å; L641-M674 HydrophobicContact CD2-CE 3.76Å; L641-M674 HydrophobicContact CG-CE 4.5Å; L641-L684 HydrophobicContact CD2-CD1 4.1Å; L641-L684 HydrophobicContact CD2-CD2 3.63Å; L641-L684 HydrophobicContact CG-CD1 3.89Å; L641-L684 HydrophobicContact CG-CD2 4.19Å |
| 642 | V | 88.6 | Confident | 87.9 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 32% | 0.321 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.4 | -45.2 | 174.8 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | I638 Q639 H644 L684 | I638-V642 HydrophobicContact CG2-CG2 4.17Å; I638-V642 WeakPolarHBondContact O-CG2 3.5Å; I638-V642 PolarHBondContact O-N 2.9Å; Q639-V642 PolarHBondContact O-N 3.03Å; V642-H644 PolarHBondContact O-N 3.19Å; V642-L684 HydrophobicContact CG2-CB 3.61Å |
| 643 | K | 88.1 | Confident | 88 | Confident | 151 Ų | 151 | 51.1 Ų | 51.1 | 66% | 0.657 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -69.8 | -25.6 | -177.1 | -177.4 | -177.9 | 176.5 | -174.9 | 0 | 114.4 | Q639 N640 L641 | Q639-K643 WeakPolarHBondContact O-CB 3.38Å; Q639-K643 PolarHBondContact O-N 2.96Å; N640-K643 PolarHBondContact O-N 2.88Å; L641-K643 VanDerWaalsContact C-N 3.31Å; L641-K643 PolarHBondContact O-N 3.39Å |
| 644 | H | 84.3 | Confident | 87.9 | Confident | 42 Ų | 42 | 51 Ų | 51 | 19% | 0.194 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -119.2 | 3.3 | -174.7 | -62.1 | -53.5 | 0 | 0 | 0 | 114.3 | N606 L607 N640 L641 V642 | N606-H644 HydrophobicContact CB-CB 4.44Å; L607-H644 HydrophobicContact CD2-CB 4.44Å; L607-H644 WeakPolarHBondContact CD2-O 3.47Å; N640-H644 WeakPolarHBondContact O-CB 3.32Å; N640-H644 PolarHBondContact O-CD2 2.84Å; N640-H644 VanDerWaalsContact O-CD2 3.23Å; N640-H644 PolarHBondContact O-N 3.35Å; L641-H644 PolarHBondContact O-N 3.1Å; V642-H644 PolarHBondContact O-N 3.19Å |
| 645 | L | 86.1 | Confident | 87.7 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 131.3 | 174.9 | -165.9 | 77.8 | 0 | 0 | 0 | 111.1 | L641 L651 L680 R681 L684 | L641-L645 HydrophobicContact CD1-CD1 4.04Å; L641-L645 VanDerWaalsContact O-CB 3.28Å; L641-L645 WeakPolarHBondContact O-CB 3.46Å; L641-L645 PolarHBondContact O-N 3.47Å; L645-L651 HydrophobicContact CD2-CD1 4.17Å; L645-L651 HydrophobicContact CG-CD1 4.31Å; L645-L680 HydrophobicContact CD1-CD2 3.78Å; L645-L680 HydrophobicContact CD2-CD2 3.92Å; L645-L680 HydrophobicContact CD2-CG 4.04Å; L645-L680 HydrophobicContact CG-CD2 4.48Å; L645-R681 HydrophobicContact CD2-CG 3.58Å; L645-R681 PolarHBondContact O-NH2 3.25Å; L645-L684 HydrophobicContact CD2-CD1 4.16Å |
| 646 | P | 87.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 157.8 | 171.4 | -24 | 33.7 | 0 | 0 | 0 | 112.8 | L599 I603 L607 Q650 L651 R681 | L599-P646 HydrophobicContact CD1-CG 4.38Å; L599-P646 HydrophobicContact CD2-CB 3.71Å; L599-P646 HydrophobicContact CD2-CG 3.64Å; I603-P646 HydrophobicContact CG2-CB 4.41Å; I603-P646 HydrophobicContact CG2-CG 3.97Å; L607-P646 HydrophobicContact CD1-CG 3.87Å; P646-Q650 HydrophobicContact CB-CB 3.91Å; P646-L651 HydrophobicContact CB-CD2 4.04Å; P646-L651 HydrophobicContact CB-CG 4.21Å; P646-L651 HydrophobicContact CG-CD2 4.1Å; P646-R681 PolarHBondContact O-NH2 2.7Å |
| 647 | E | 87.2 | Confident | 87.3 | Confident | 95 Ų | 95 | 55.6 Ų | 55.6 | 44% | 0.444 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 153.2 | 173.9 | -73.5 | -54.3 | 136.4 | 0 | 0 | 111.8 | E649 Q650 L651 R681 | E647-E649 PolarHBondContact O-N 3.22Å; E647-E649 VanDerWaalsContact O-N 3.14Å; E647-Q650 HydrophobicContact CB-CG 4.36Å; E647-Q650 WeakPolarHBondContact O-CA 3.48Å; E647-Q650 WeakPolarHBondContact O-CB 3.33Å; E647-Q650 PolarHBondContact O-N 2.97Å; E647-L651 PolarHBondContact O-N 2.82Å; E647-R681 VanDerWaalsContact CD-NH2 3.3Å; E647-R681 IonicContact OE1-CZ 3.45Å; E647-R681 VanDerWaalsContact OE1-CZ 3.24Å; E647-R681 IonicContact OE1-NH1 3.51Å; E647-R681 PolarHBondContact OE1-NH1 3.04Å; E647-R681 IonicContact OE1-NH2 3.77Å; E647-R681 PolarHBondContact OE1-NH2 3.15Å; E647-R681 IonicContact OE2-CZ 2.99Å; E647-R681 IonicContact OE2-NH1 2.77Å; E647-R681 PolarHBondContact OE2-NH1 2.91Å; E647-R681 IonicContact OE2-NH2 3.67Å |
| 648 | Q | 84.8 | Confident | 87 | Confident | 74 Ų | 74 | 62.7 Ų | 62.7 | 35% | 0.346 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.9 | -31.7 | -177.9 | -172 | 63.1 | 66.7 | 0 | 0 | 111.8 | L651 N652 | Q648-L651 PolarHBondContact O-N 2.93Å; Q648-N652 PolarHBondContact NE2-OD1 3.12Å; Q648-N652 VanDerWaalsContact O-CB 3.31Å; Q648-N652 WeakPolarHBondContact O-CB 3.07Å; Q648-N652 PolarHBondContact O-N 3.44Å; Q648-N652 PolarHBondContact O-ND2 2.87Å; Q648-N652 PolarHBondContact O-OD1 3.23Å |
| 649 | E | 85.8 | Confident | 86.5 | Confident | 165 Ų | 165 | 70.5 Ų | 70.5 | 77% | 0.771 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.5 | -42.4 | 172.7 | -60.4 | -174.9 | 170.9 | 0 | 0 | 112.6 | E647 N652 A653 | E647-E649 PolarHBondContact O-N 3.22Å; E647-E649 VanDerWaalsContact O-N 3.14Å; E649-N652 PolarHBondContact O-N 3.08Å; E649-A653 WeakPolarHBondContact O-CB 3.45Å; E649-A653 PolarHBondContact O-N 2.95Å |
| 650 | Q | 86.1 | Confident | 86.2 | Confident | 39 Ų | 39 | 70.5 Ų | 70.5 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 175.9 | -66.1 | 175.3 | -45.5 | 0 | 0 | 111.1 | V598 L599 D600 P646 E647 A653 L654 | V598-Q650 HydrophobicContact CG1-CB 4.46Å; L599-Q650 HydrophobicContact CD2-CB 4.16Å; D600-Q650 PolarHBondContact OD2-NE2 3Å; P646-Q650 HydrophobicContact CB-CB 3.91Å; E647-Q650 HydrophobicContact CB-CG 4.36Å; E647-Q650 WeakPolarHBondContact O-CA 3.48Å; E647-Q650 WeakPolarHBondContact O-CB 3.33Å; E647-Q650 PolarHBondContact O-N 2.97Å; Q650-A653 PolarHBondContact O-N 3.17Å; Q650-L654 WeakPolarHBondContact O-CB 3.46Å; Q650-L654 WeakPolarHBondContact O-CG 3.36Å; Q650-L654 PolarHBondContact O-N 3.5Å |
| 651 | L | 87.2 | Confident | 86 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 173.4 | -64.7 | 177.5 | 0 | 0 | 0 | 111.7 | L645 P646 E647 Q648 A653 L654 A655 S675 L680 | L645-L651 HydrophobicContact CD2-CD1 4.17Å; L645-L651 HydrophobicContact CG-CD1 4.31Å; P646-L651 HydrophobicContact CB-CD2 4.04Å; P646-L651 HydrophobicContact CB-CG 4.21Å; P646-L651 HydrophobicContact CG-CD2 4.1Å; E647-L651 PolarHBondContact O-N 2.82Å; Q648-L651 PolarHBondContact O-N 2.93Å; L651-A653 VanDerWaalsContact C-N 3.3Å; L651-A653 PolarHBondContact O-N 2.98Å; L651-L654 PolarHBondContact O-N 3.45Å; L651-A655 PolarHBondContact O-N 2.69Å; L651-S675 WeakPolarHBondContact O-CB 3.41Å; L651-L680 HydrophobicContact CD1-CD2 4.39Å |
| 652 | N | 87 | Confident | 85.7 | Confident | 90 Ų | 90 | 75.8 Ų | 75.8 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.3 | -31.1 | 176.8 | -67.9 | -6.3 | 0 | 0 | 0 | 112.5 | Q648 E649 | Q648-N652 PolarHBondContact NE2-OD1 3.12Å; Q648-N652 VanDerWaalsContact O-CB 3.31Å; Q648-N652 WeakPolarHBondContact O-CB 3.07Å; Q648-N652 PolarHBondContact O-N 3.44Å; Q648-N652 PolarHBondContact O-ND2 2.87Å; Q648-N652 PolarHBondContact O-OD1 3.23Å; E649-N652 PolarHBondContact O-N 3.08Å |
| 653 | A | 86.5 | Confident | 85.3 | Confident | 29 Ų | 29 | 78.2 Ų | 78.2 | 24% | 0.24 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -73.8 | -42.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V598 E649 Q650 L651 A655 K656 Y657 | V598-A653 HydrophobicContact CG1-CB 3.64Å; V598-A653 HydrophobicContact CG2-CB 4.46Å; E649-A653 WeakPolarHBondContact O-CB 3.45Å; E649-A653 PolarHBondContact O-N 2.95Å; Q650-A653 PolarHBondContact O-N 3.17Å; L651-A653 VanDerWaalsContact C-N 3.3Å; L651-A653 PolarHBondContact O-N 2.98Å; A653-A655 PolarHBondContact O-N 3.32Å; A653-K656 WeakPolarHBondContact O-CB 2.97Å; A653-K656 PolarHBondContact O-N 3.24Å; A653-Y657 WeakPolarHBondContact O-CD2 3.25Å |
| 654 | L | 87.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 174.6 | -80 | 174.7 | 0 | 0 | 0 | 112.5 | V598 L599 Q650 L651 K656 Y657 E668 V672 | V598-L654 HydrophobicContact CB-CD2 3.73Å; V598-L654 HydrophobicContact CB-CG 3.96Å; V598-L654 HydrophobicContact CG1-CD2 4.34Å; V598-L654 HydrophobicContact CG1-CG 4Å; V598-L654 HydrophobicContact CG2-CD2 3.81Å; V598-L654 HydrophobicContact CG2-CG 4.25Å; L599-L654 HydrophobicContact CD1-CD1 4.26Å; L599-L654 HydrophobicContact CD2-CD1 4.07Å; L599-L654 HydrophobicContact CG-CD1 4.07Å; Q650-L654 WeakPolarHBondContact O-CB 3.46Å; Q650-L654 WeakPolarHBondContact O-CG 3.36Å; Q650-L654 PolarHBondContact O-N 3.5Å; L651-L654 PolarHBondContact O-N 3.45Å; L654-K656 PolarHBondContact O-N 3.21Å; L654-Y657 PolarHBondContact O-N 2.71Å; L654-E668 HydrophobicContact CD2-CB 3.74Å; L654-E668 HydrophobicContact CD2-CG 3.86Å; L654-V672 HydrophobicContact CB-CG2 4.04Å; L654-V672 HydrophobicContact CD2-CG2 4.47Å; L654-V672 WeakPolarHBondContact O-CG2 3.33Å |
| 655 | A | 86.8 | Confident | 85.2 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 34% | 0.339 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -50.9 | -30.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L651 A653 Y657 K658 | L651-A655 PolarHBondContact O-N 2.69Å; A653-A655 PolarHBondContact O-N 3.32Å; A655-Y657 VanDerWaalsContact C-N 3.28Å; A655-Y657 PolarHBondContact O-N 3.42Å; A655-K658 WeakPolarHBondContact O-CB 3.44Å; A655-K658 PolarHBondContact O-N 2.71Å |
| 656 | K | 87 | Confident | 85.2 | Confident | 174 Ų | 174 | 73.6 Ų | 73.6 | 76% | 0.757 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -66.7 | -26.9 | 178 | -58.8 | 175.9 | -175.7 | 176.8 | 0 | 113 | A653 L654 K658 | A653-K656 WeakPolarHBondContact O-CB 2.97Å; A653-K656 PolarHBondContact O-N 3.24Å; L654-K656 PolarHBondContact O-N 3.21Å; K656-K658 VanDerWaalsContact C-N 3.31Å; K656-K658 PolarHBondContact O-N 3.42Å |
| 657 | Y | 84.9 | Confident | 85.2 | Confident | 76 Ų | 76 | 73.8 Ų | 73.8 | 30% | 0.298 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -88.4 | 13.1 | 179.8 | -63.6 | -82.4 | 0 | 0 | 0 | 113.7 | K597 V598 A653 L654 A655 N659 E660 Y661 L664 | K597-Y657 HydrophobicContact CD-CD1 4.04Å; K597-Y657 HydrophobicContact CD-CE1 3.77Å; V598-Y657 HydrophobicContact CG2-CD2 3.91Å; V598-Y657 HydrophobicContact CG2-CE2 3.45Å; V598-Y657 VanDerWaalsContact CG2-CE2 3.45Å; A653-Y657 WeakPolarHBondContact O-CD2 3.25Å; L654-Y657 PolarHBondContact O-N 2.71Å; A655-Y657 VanDerWaalsContact C-N 3.28Å; A655-Y657 PolarHBondContact O-N 3.42Å; Y657-N659 PolarHBondContact O-N 2.92Å; Y657-N659 VanDerWaalsContact O-N 3.12Å; Y657-E660 CarbonylContact O-C 3.52Å; Y657-E660 WeakPolarHBondContact O-CA 3.38Å; Y657-E660 PolarHBondContact O-N 3.16Å; Y657-Y661 PolarHBondContact O-N 3.4Å; Y657-L664 HydrophobicContact CG-CD2 4.37Å |
| 658 | K | 82.1 | Confident | 85.3 | Confident | 151 Ų | 151 | 69.3 Ų | 69.3 | 66% | 0.657 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -52.5 | -34.4 | 178.4 | -173.4 | 177.9 | -180 | -178.2 | 0 | 113.5 | A655 K656 E660 V672 | A655-K658 WeakPolarHBondContact O-CB 3.44Å; A655-K658 PolarHBondContact O-N 2.71Å; K656-K658 VanDerWaalsContact C-N 3.31Å; K656-K658 PolarHBondContact O-N 3.42Å; K658-E660 VanDerWaalsContact C-N 3.29Å; K658-E660 PolarHBondContact O-N 2.93Å; K658-V672 HydrophobicContact CB-CG1 4.38Å; K658-V672 HydrophobicContact CG-CG1 4.49Å |
| 659 | N | 82.6 | Confident | 85.5 | Confident | 164 Ų | 164 | 67.5 Ų | 67.5 | 88% | 0.877 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -75.8 | -16.4 | 177.9 | -62.8 | -9.1 | 0 | 0 | 0 | 113.4 | Y657 | Y657-N659 PolarHBondContact O-N 2.92Å; Y657-N659 VanDerWaalsContact O-N 3.12Å |
| 660 | E | 83.8 | Confident | 85.7 | Confident | 77 Ų | 77 | 59.6 Ų | 59.6 | 36% | 0.36 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -106.6 | 16.2 | 178.1 | -66.5 | -173.6 | -155.8 | 0 | 0 | 112.7 | K597 Y657 K658 S662 N663 L664 | K597-E660 IonicContact NZ-OE2 3.17Å; K597-E660 PolarHBondContact NZ-OE2 3.24Å; Y657-E660 CarbonylContact O-C 3.52Å; Y657-E660 WeakPolarHBondContact O-CA 3.38Å; Y657-E660 PolarHBondContact O-N 3.16Å; K658-E660 VanDerWaalsContact C-N 3.29Å; K658-E660 PolarHBondContact O-N 2.93Å; E660-S662 VanDerWaalsContact C-N 3.27Å; E660-S662 PolarHBondContact O-N 3.04Å; E660-S662 VanDerWaalsContact O-N 3.08Å; E660-N663 WeakPolarHBondContact O-CA 3.26Å; E660-N663 WeakPolarHBondContact O-CB 3.31Å; E660-N663 PolarHBondContact O-N 3.36Å; E660-L664 PolarHBondContact O-N 2.66Å |
| 661 | Y | 83.9 | Confident | 85.9 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 27% | 0.271 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -45 | -47.6 | -173.1 | -176.3 | -95.4 | 0 | 0 | 0 | 114 | Y657 N663 L664 Q669 V672 V673 | Y657-Y661 PolarHBondContact O-N 3.4Å; Y661-N663 PolarHBondContact O-N 3.27Å; Y661-N663 VanDerWaalsContact O-N 3.07Å; Y661-L664 PolarHBondContact O-N 2.62Å; Y661-L664 VanDerWaalsContact O-N 3.15Å; Y661-Q669 HydrophobicContact CD1-CG 4.44Å; Y661-Q669 HydrophobicContact CD2-CB 4.47Å; Y661-Q669 HydrophobicContact CD2-CG 4.26Å; Y661-Q669 HydrophobicContact CE1-CB 4.5Å; Y661-Q669 HydrophobicContact CE1-CG 4.13Å; Y661-Q669 HydrophobicContact CE2-CB 3.77Å; Y661-Q669 HydrophobicContact CE2-CG 3.95Å; Y661-Q669 WeakPolarHBondContact CE2-O 3.46Å; Y661-Q669 WeakPolarHBondContact O-CG 3.37Å; Y661-V672 HydrophobicContact CD2-CB 4.24Å; Y661-V672 HydrophobicContact CD2-CG1 3.95Å; Y661-V672 HydrophobicContact CE2-CB 4.43Å; Y661-V672 HydrophobicContact CE2-CG1 4.39Å; Y661-V673 HydrophobicContact CE2-CG2 3.92Å |
| 662 | S | 81.8 | Confident | 86 | Confident | 95 Ų | 95 | 58.2 Ų | 58.2 | 66% | 0.664 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -62.8 | -14.3 | 179.1 | -55 | 0 | 0 | 0 | 0 | 114.7 | K594 E660 | K594-S662 WeakPolarHBondContact CE-O 3.44Å; K594-S662 PolarHBondContact NZ-O 3.37Å; E660-S662 VanDerWaalsContact C-N 3.27Å; E660-S662 PolarHBondContact O-N 3.04Å; E660-S662 VanDerWaalsContact O-N 3.08Å |
| 663 | N | 81.1 | Confident | 86.1 | Confident | 103 Ų | 103 | 54.2 Ų | 54.2 | 55% | 0.551 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -102.8 | -7.7 | 179.9 | -62.3 | -20.6 | 0 | 0 | 0 | 113.7 | K594 E660 Y661 | K594-N663 WeakPolarHBondContact CD-O 3.24Å; E660-N663 WeakPolarHBondContact O-CA 3.26Å; E660-N663 WeakPolarHBondContact O-CB 3.31Å; E660-N663 PolarHBondContact O-N 3.36Å; Y661-N663 PolarHBondContact O-N 3.27Å; Y661-N663 VanDerWaalsContact O-N 3.07Å |
| 664 | L | 84.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -83.8 | 154.4 | 179.4 | -66.6 | 176.7 | 0 | 0 | 0 | 113.2 | K594 K597 Y657 E660 Y661 E668 Q669 V672 | K594-L664 VanDerWaalsContact CD-C 3.46Å; K594-L664 WeakPolarHBondContact CD-O 3.46Å; K594-L664 WeakPolarHBondContact CE-O 3.2Å; K594-L664 PolarHBondContact NZ-O 3.47Å; K597-L664 HydrophobicContact CB-CD2 4.43Å; K597-L664 HydrophobicContact CD-CD2 3.89Å; K597-L664 HydrophobicContact CG-CD2 4.21Å; Y657-L664 HydrophobicContact CG-CD2 4.37Å; E660-L664 PolarHBondContact O-N 2.66Å; Y661-L664 PolarHBondContact O-N 2.62Å; Y661-L664 VanDerWaalsContact O-N 3.15Å; L664-E668 HydrophobicContact CB-CB 4.04Å; L664-E668 HydrophobicContact CD1-CB 4.46Å; L664-Q669 HydrophobicContact CB-CG 4.07Å; L664-Q669 PolarHBondContact O-NE2 2.73Å; L664-V672 HydrophobicContact CD1-CG2 3.54Å |
| 665 | S | 85.3 | Confident | 86.3 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | trans | -63 | 169.4 | 173.3 | 71 | 0 | 0 | 0 | 0 | 112.4 | L596 E668 Q669 | L596-S665 WeakPolarHBondContact CD2-OG 3.33Å; S665-E668 WeakPolarHBondContact CB-OE2 3.35Å; S665-E668 PolarHBondContact N-OE2 3.08Å; S665-E668 PolarHBondContact O-N 3.39Å; S665-E668 WeakPolarHBondContact OG-CB 3.37Å; S665-E668 VanDerWaalsContact OG-CD 3.24Å; S665-E668 WeakPolarHBondContact OG-CG 3.41Å; S665-E668 PolarHBondContact OG-OE2 2.83Å; S665-Q669 WeakPolarHBondContact O-CG 3.38Å; S665-Q669 PolarHBondContact O-N 3.38Å; S665-Q669 PolarHBondContact O-NE2 3.18Å | ||
| 666 | E | 86.8 | Confident | 86.1 | Confident | 90 Ų | 90 | 55 Ų | 55 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | -177.5 | -160.2 | -175.3 | 157.1 | 0 | 0 | 113.4 | L611 Y618 E668 Q669 F670 | L611-E666 HydrophobicContact CD1-CG 4.49Å; Y618-E666 WeakPolarHBondContact OH-CG 3.28Å; Y618-E666 PolarHBondContact OH-OE1 2.78Å; E666-E668 VanDerWaalsContact C-N 3.26Å; E666-E668 PolarHBondContact O-N 2.71Å; E666-Q669 PolarHBondContact O-N 3.27Å; E666-F670 PolarHBondContact O-N 3.19Å; E666-F670 VanDerWaalsContact O-N 3.12Å |
| 667 | P | 87.7 | Confident | 86 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -30.6 | 174.7 | -26.3 | 39 | 0 | 0 | 0 | 114 | L599 A604 L607 S608 G671 | L599-P667 HydrophobicContact CD1-CB 3.87Å; A604-P667 HydrophobicContact CB-CB 4.27Å; A604-P667 HydrophobicContact CB-CG 4.15Å; A604-P667 WeakPolarHBondContact O-CG 3.48Å; L607-P667 HydrophobicContact CB-CB 3.84Å; L607-P667 HydrophobicContact CB-CG 4.27Å; L607-P667 HydrophobicContact CD1-CB 4.08Å; S608-P667 VanDerWaalsContact OG-CG 3.23Å; S608-P667 WeakPolarHBondContact OG-CG 3.43Å; P667-G671 PolarHBondContact O-N 3.31Å |
| 668 | E | 88.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -81 | -35.7 | -178.6 | -67.4 | 176.8 | 129.7 | 0 | 0 | 111.9 | L596 K597 V598 L599 L654 L664 S665 E666 F670 G671 V672 | L596-E668 HydrophobicContact CD2-CG 4.39Å; K597-E668 PolarHBondContact N-OE1 2.87Å; V598-E668 PolarHBondContact N-OE1 2.85Å; L599-E668 HydrophobicContact CB-CG 4.24Å; L599-E668 HydrophobicContact CD1-CG 3.77Å; L599-E668 HydrophobicContact CG-CG 3.89Å; L599-E668 PolarHBondContact N-OE1 3.45Å; L654-E668 HydrophobicContact CD2-CB 3.74Å; L654-E668 HydrophobicContact CD2-CG 3.86Å; L664-E668 HydrophobicContact CB-CB 4.04Å; L664-E668 HydrophobicContact CD1-CB 4.46Å; S665-E668 WeakPolarHBondContact CB-OE2 3.35Å; S665-E668 PolarHBondContact N-OE2 3.08Å; S665-E668 PolarHBondContact O-N 3.39Å; S665-E668 WeakPolarHBondContact OG-CB 3.37Å; S665-E668 VanDerWaalsContact OG-CD 3.24Å; S665-E668 WeakPolarHBondContact OG-CG 3.41Å; S665-E668 PolarHBondContact OG-OE2 2.83Å; E666-E668 VanDerWaalsContact C-N 3.26Å; E666-E668 PolarHBondContact O-N 2.71Å; E668-F670 VanDerWaalsContact C-N 3.33Å; E668-G671 PolarHBondContact O-N 3.05Å; E668-V672 WeakPolarHBondContact O-CG2 3.19Å; E668-V672 PolarHBondContact O-N 3.01Å |
| 669 | Q | 88.7 | Confident | 86.1 | Confident | 36 Ų | 36 | 45.5 Ų | 45.5 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.7 | -47.8 | 166.9 | -78.5 | 171.8 | 69.5 | 0 | 0 | 110.7 | Y618 Y661 L664 S665 E666 V672 V673 | Y618-Q669 HydrophobicContact CD2-CB 4.31Å; Y618-Q669 HydrophobicContact CE2-CB 3.99Å; Y661-Q669 HydrophobicContact CD1-CG 4.44Å; Y661-Q669 HydrophobicContact CD2-CB 4.47Å; Y661-Q669 HydrophobicContact CD2-CG 4.26Å; Y661-Q669 HydrophobicContact CE1-CB 4.5Å; Y661-Q669 HydrophobicContact CE1-CG 4.13Å; Y661-Q669 HydrophobicContact CE2-CB 3.77Å; Y661-Q669 HydrophobicContact CE2-CG 3.95Å; Y661-Q669 WeakPolarHBondContact CE2-O 3.46Å; Y661-Q669 WeakPolarHBondContact O-CG 3.37Å; L664-Q669 HydrophobicContact CB-CG 4.07Å; L664-Q669 PolarHBondContact O-NE2 2.73Å; S665-Q669 WeakPolarHBondContact O-CG 3.38Å; S665-Q669 PolarHBondContact O-N 3.38Å; S665-Q669 PolarHBondContact O-NE2 3.18Å; E666-Q669 PolarHBondContact O-N 3.27Å; Q669-V672 PolarHBondContact O-N 2.92Å; Q669-V673 PolarHBondContact O-N 3.12Å; Q669-V673 VanDerWaalsContact O-N 3.11Å |
| 670 | F | 91 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.9 | -52.5 | 172.8 | 174.9 | -107.6 | 0 | 0 | 0 | 111.3 | L607 F610 L611 Y618 I621 L641 E666 E668 V672 V673 M674 | L607-F670 HydrophobicContact CD2-CD1 4.09Å; L607-F670 HydrophobicContact CD2-CE1 3.8Å; F610-F670 HydrophobicContact CE1-CZ 4.22Å; L611-F670 HydrophobicContact CD1-CB 3.67Å; L611-F670 HydrophobicContact CD1-CD1 4.32Å; L611-F670 HydrophobicContact CD1-CD2 4.44Å; L611-F670 HydrophobicContact CD1-CG 3.92Å; L611-F670 HydrophobicContact CD2-CB 4.35Å; L611-F670 HydrophobicContact CD2-CD1 4.35Å; L611-F670 HydrophobicContact CD2-CD2 3.57Å; L611-F670 HydrophobicContact CD2-CE2 3.79Å; L611-F670 HydrophobicContact CD2-CG 3.85Å; L611-F670 HydrophobicContact CD2-CZ 4.26Å; L611-F670 HydrophobicContact CG-CG 4.44Å; Y618-F670 HydrophobicContact CD1-CB 4.28Å; Y618-F670 AromaticContact CD1-CD2 3.8Å; Y618-F670 HydrophobicContact CD1-CD2 3.8Å; Y618-F670 HydrophobicContact CD2-CB 4.22Å; Y618-F670 HydrophobicContact CG-CB 4.13Å; Y618-F670 AromaticContact CG-CD2 3.93Å; Y618-F670 HydrophobicContact CG-CD2 3.93Å; I621-F670 HydrophobicContact CD1-CE2 3.98Å; I621-F670 HydrophobicContact CG2-CE2 4.21Å; L641-F670 HydrophobicContact CD1-CE1 4.06Å; L641-F670 HydrophobicContact CD1-CZ 3.7Å; E666-F670 PolarHBondContact O-N 3.19Å; E666-F670 VanDerWaalsContact O-N 3.12Å; E668-F670 VanDerWaalsContact C-N 3.33Å; F670-V672 VanDerWaalsContact C-N 3.29Å; F670-V672 PolarHBondContact O-N 2.85Å; F670-V673 PolarHBondContact O-N 3.05Å; F670-M674 HydrophobicContact CD1-CG 4.13Å; F670-M674 HydrophobicContact CD2-CG 4.06Å; F670-M674 HydrophobicContact CD2-SD 4.38Å; F670-M674 HydrophobicContact CE1-CG 3.87Å; F670-M674 HydrophobicContact CE2-CE 3.9Å; F670-M674 HydrophobicContact CE2-CG 3.79Å; F670-M674 HydrophobicContact CE2-SD 3.79Å; F670-M674 HydrophobicContact CG-CG 4.24Å; F670-M674 HydrophobicContact CZ-CE 3.66Å; F670-M674 HydrophobicContact CZ-CG 3.71Å; F670-M674 HydrophobicContact CZ-SD 4.02Å; F670-M674 VanDerWaalsContact O-CG 3.3Å; F670-M674 WeakPolarHBondContact O-CG 3.2Å; F670-M674 PolarHBondContact O-N 2.91Å |
| 671 | G | 89.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.5 | -34.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P667 E668 M674 S675 | P667-G671 PolarHBondContact O-N 3.31Å; E668-G671 PolarHBondContact O-N 3.05Å; G671-M674 PolarHBondContact O-N 3.04Å; G671-S675 VanDerWaalsContact O-CB 3.31Å; G671-S675 WeakPolarHBondContact O-CB 3.42Å; G671-S675 PolarHBondContact O-N 2.93Å |
| 672 | V | 89.6 | Confident | 87 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.3 | -46.1 | 171.4 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | L654 K658 Y661 L664 E668 Q669 F670 S675 | L654-V672 HydrophobicContact CB-CG2 4.04Å; L654-V672 HydrophobicContact CD2-CG2 4.47Å; L654-V672 WeakPolarHBondContact O-CG2 3.33Å; K658-V672 HydrophobicContact CB-CG1 4.38Å; K658-V672 HydrophobicContact CG-CG1 4.49Å; Y661-V672 HydrophobicContact CD2-CB 4.24Å; Y661-V672 HydrophobicContact CD2-CG1 3.95Å; Y661-V672 HydrophobicContact CE2-CB 4.43Å; Y661-V672 HydrophobicContact CE2-CG1 4.39Å; L664-V672 HydrophobicContact CD1-CG2 3.54Å; E668-V672 WeakPolarHBondContact O-CG2 3.19Å; E668-V672 PolarHBondContact O-N 3.01Å; Q669-V672 PolarHBondContact O-N 2.92Å; F670-V672 VanDerWaalsContact C-N 3.29Å; F670-V672 PolarHBondContact O-N 2.85Å; V672-S675 PolarHBondContact O-N 3.14Å; V672-S675 PolarHBondContact O-OG 3.32Å |
| 673 | V | 89.8 | Confident | 87.4 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 176.7 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | Y618 R622 Y661 Q669 F670 S675 S676 | Y618-V673 WeakPolarHBondContact O-CG1 3.29Å; R622-V673 HydrophobicContact CB-CG1 3.96Å; Y661-V673 HydrophobicContact CE2-CG2 3.92Å; Q669-V673 PolarHBondContact O-N 3.12Å; Q669-V673 VanDerWaalsContact O-N 3.11Å; F670-V673 PolarHBondContact O-N 3.05Å; V673-S675 VanDerWaalsContact C-N 3.33Å; V673-S675 PolarHBondContact O-N 3.49Å; V673-S676 WeakPolarHBondContact O-CB 3.47Å; V673-S676 PolarHBondContact O-N 2.92Å; V673-S676 PolarHBondContact O-OG 3.17Å |
| 674 | M | 89.7 | Confident | 88 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.2 | -34.1 | 178.7 | -60.5 | -48.7 | -103.5 | 0 | 0 | 112.7 | I621 I625 L641 F670 G671 S676 M677 L680 | I621-M674 HydrophobicContact CG2-CE 3.94Å; I621-M674 HydrophobicContact CG2-SD 4.47Å; I625-M674 HydrophobicContact CD1-CE 3.57Å; L641-M674 HydrophobicContact CD1-CE 4.1Å; L641-M674 HydrophobicContact CD2-CE 3.76Å; L641-M674 HydrophobicContact CG-CE 4.5Å; F670-M674 HydrophobicContact CD1-CG 4.13Å; F670-M674 HydrophobicContact CD2-CG 4.06Å; F670-M674 HydrophobicContact CD2-SD 4.38Å; F670-M674 HydrophobicContact CE1-CG 3.87Å; F670-M674 HydrophobicContact CE2-CE 3.9Å; F670-M674 HydrophobicContact CE2-CG 3.79Å; F670-M674 HydrophobicContact CE2-SD 3.79Å; F670-M674 HydrophobicContact CG-CG 4.24Å; F670-M674 HydrophobicContact CZ-CE 3.66Å; F670-M674 HydrophobicContact CZ-CG 3.71Å; F670-M674 HydrophobicContact CZ-SD 4.02Å; F670-M674 VanDerWaalsContact O-CG 3.3Å; F670-M674 WeakPolarHBondContact O-CG 3.2Å; F670-M674 PolarHBondContact O-N 2.91Å; G671-M674 PolarHBondContact O-N 3.04Å; M674-S676 PolarHBondContact O-N 3.35Å; M674-S676 VanDerWaalsContact O-N 3.08Å; M674-M677 HydrophobicContact CB-CE 4.34Å; M674-M677 HydrophobicContact CE-CE 3.77Å; M674-M677 HydrophobicContact CG-CE 4.48Å; M674-M677 PolarHBondContact O-N 3.49Å; M674-M677 VanDerWaalsContact O-N 3.13Å; M674-M677 HydrophobicContact SD-CE 3.39Å; M674-M677 WeakPolarHBondContact SD-CE 3.19Å; M674-L680 HydrophobicContact CB-CD2 3.76Å |
| 675 | S | 87.4 | Confident | 88.3 | Confident | 27 Ų | 27 | 30.1 Ų | 30.1 | 19% | 0.189 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -15.3 | 176.4 | 76.6 | 0 | 0 | 0 | 0 | 114.4 | L651 G671 V672 V673 M677 | L651-S675 WeakPolarHBondContact O-CB 3.41Å; G671-S675 VanDerWaalsContact O-CB 3.31Å; G671-S675 WeakPolarHBondContact O-CB 3.42Å; G671-S675 PolarHBondContact O-N 2.93Å; V672-S675 PolarHBondContact O-N 3.14Å; V672-S675 PolarHBondContact O-OG 3.32Å; V673-S675 VanDerWaalsContact C-N 3.33Å; V673-S675 PolarHBondContact O-N 3.49Å; S675-M677 VanDerWaalsContact C-N 3.26Å; S675-M677 PolarHBondContact O-N 3.07Å |
| 676 | S | 83.6 | Confident | 88.7 | Confident | 59 Ų | 59 | 29.8 Ų | 29.8 | 41% | 0.413 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -13.4 | 175.2 | 72.8 | 0 | 0 | 0 | 0 | 114.4 | R622 V673 M674 | R622-S676 PolarHBondContact NE-OG 3.05Å; V673-S676 WeakPolarHBondContact O-CB 3.47Å; V673-S676 PolarHBondContact O-N 2.92Å; V673-S676 PolarHBondContact O-OG 3.17Å; M674-S676 PolarHBondContact O-N 3.35Å; M674-S676 VanDerWaalsContact O-N 3.08Å |
| 677 | M | 85.5 | Confident | 89 | Confident | 10 Ų | 10 | 25.6 Ų | 25.6 | 5% | 0.049 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -92.7 | 116.9 | -176.5 | -69.4 | -175.4 | -85.5 | 0 | 0 | 112.2 | R622 I625 V626 M674 S675 R679 L680 | R622-M677 HydrophobicContact CB-CE 4.37Å; R622-M677 HydrophobicContact CG-CE 4.19Å; R622-M677 HydrophobicContact CG-CG 4.12Å; R622-M677 HydrophobicContact CG-SD 3.99Å; I625-M677 HydrophobicContact CB-SD 4.12Å; I625-M677 HydrophobicContact CD1-CE 4.3Å; I625-M677 HydrophobicContact CG2-CE 4.48Å; I625-M677 HydrophobicContact CG2-SD 3.76Å; V626-M677 HydrophobicContact CG2-CG 3.94Å; V626-M677 HydrophobicContact CG2-SD 3.67Å; M674-M677 HydrophobicContact CB-CE 4.34Å; M674-M677 HydrophobicContact CE-CE 3.77Å; M674-M677 HydrophobicContact CG-CE 4.48Å; M674-M677 PolarHBondContact O-N 3.49Å; M674-M677 VanDerWaalsContact O-N 3.13Å; M674-M677 HydrophobicContact SD-CE 3.39Å; M674-M677 WeakPolarHBondContact SD-CE 3.19Å; S675-M677 VanDerWaalsContact C-N 3.26Å; S675-M677 PolarHBondContact O-N 3.07Å; M677-R679 PolarHBondContact O-N 3.45Å; M677-L680 HydrophobicContact CB-CB 4.35Å; M677-L680 HydrophobicContact CB-CD1 4.18Å; M677-L680 HydrophobicContact CE-CD1 3.6Å; M677-L680 HydrophobicContact CE-CD2 4.13Å; M677-L680 HydrophobicContact SD-CD1 3.89Å |
| 678 | K | 82.7 | Confident | 89.3 | Confident | 109 Ų | 109 | 26.5 Ų | 26.5 | 47% | 0.474 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 123.3 | 175.5 | -61.5 | 178.8 | -171.4 | 171.9 | 0 | 110.1 | R683 T826 D827 | K678-R683 PolarHBondContact O-NE 2.89Å; K678-T826 HydrophobicContact CD-CG2 3.87Å; K678-D827 IonicContact NZ-OD2 3.85Å; K678-D827 PolarHBondContact NZ-OD2 3.34Å |
| 679 | R | 86.1 | Confident | 89.6 | Confident | 81 Ų | 81 | 26.6 Ų | 26.6 | 31% | 0.306 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 52.7 | 179.8 | -53.6 | 174.6 | 76.5 | -165.7 | 17.5 | 114.5 | M677 R681 P682 R683 D819 T822 F823 | M677-R679 PolarHBondContact O-N 3.45Å; R679-R681 PolarHBondContact O-N 2.87Å; R679-P682 HydrophobicContact CB-CG 4.35Å; R679-P682 WeakPolarHBondContact O-CD 3.47Å; R679-R683 WeakPolarHBondContact O-CG 3.36Å; R679-R683 PolarHBondContact O-N 3.04Å; R679-D819 IonicContact CZ-OD1 2.7Å; R679-D819 PolarHBondContact NH1-O 3.26Å; R679-D819 IonicContact NH1-OD1 3.07Å; R679-D819 IonicContact NH2-OD1 2.69Å; R679-D819 PolarHBondContact NH2-OD1 3.01Å; R679-T822 VanDerWaalsContact CZ-OG1 3.3Å; R679-T822 PolarHBondContact NH1-O 3.46Å; R679-T822 PolarHBondContact NH1-OG1 2.95Å; R679-T822 PolarHBondContact NH2-OG1 3.46Å; R679-F823 HydrophobicContact CB-CE1 3.69Å; R679-F823 HydrophobicContact CB-CZ 3.79Å; R679-F823 HydrophobicContact CG-CE1 4.23Å; R679-F823 VanDerWaalsContact NH1-CD2 3.34Å |
| 680 | L | 88.5 | Confident | 89.9 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.9 | -42.4 | -175.4 | -178.4 | 57.4 | 0 | 0 | 0 | 115.1 | I625 L645 L651 M674 M677 R683 L684 | I625-L680 HydrophobicContact CG2-CD1 4.18Å; L645-L680 HydrophobicContact CD1-CD2 3.78Å; L645-L680 HydrophobicContact CD2-CD2 3.92Å; L645-L680 HydrophobicContact CD2-CG 4.04Å; L645-L680 HydrophobicContact CG-CD2 4.48Å; L651-L680 HydrophobicContact CD1-CD2 4.39Å; M674-L680 HydrophobicContact CB-CD2 3.76Å; M677-L680 HydrophobicContact CB-CB 4.35Å; M677-L680 HydrophobicContact CB-CD1 4.18Å; M677-L680 HydrophobicContact CE-CD1 3.6Å; M677-L680 HydrophobicContact CE-CD2 4.13Å; M677-L680 HydrophobicContact SD-CD1 3.89Å; L680-R683 PolarHBondContact O-N 2.98Å; L680-L684 HydrophobicContact CD1-CD1 3.81Å; L680-L684 HydrophobicContact CD1-CD2 4.49Å; L680-L684 HydrophobicContact CD1-CG 3.87Å; L680-L684 HydrophobicContact CG-CD1 3.84Å; L680-L684 HydrophobicContact CG-CG 4.35Å; L680-L684 WeakPolarHBondContact O-CG 3.44Å; L680-L684 PolarHBondContact O-N 2.95Å |
| 681 | R | 89.3 | Confident | 89.9 | Confident | 87 Ų | 87 | 30.1 Ų | 30.1 | 33% | 0.328 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.9 | -50.4 | -179.4 | -81.2 | -168.4 | 173.7 | 172 | -0 | 113.3 | L645 P646 E647 R679 R683 L684 S685 | L645-R681 HydrophobicContact CD2-CG 3.58Å; L645-R681 PolarHBondContact O-NH2 3.25Å; P646-R681 PolarHBondContact O-NH2 2.7Å; E647-R681 VanDerWaalsContact CD-NH2 3.3Å; E647-R681 IonicContact OE1-CZ 3.45Å; E647-R681 VanDerWaalsContact OE1-CZ 3.24Å; E647-R681 IonicContact OE1-NH1 3.51Å; E647-R681 PolarHBondContact OE1-NH1 3.04Å; E647-R681 IonicContact OE1-NH2 3.77Å; E647-R681 PolarHBondContact OE1-NH2 3.15Å; E647-R681 IonicContact OE2-CZ 2.99Å; E647-R681 IonicContact OE2-NH1 2.77Å; E647-R681 PolarHBondContact OE2-NH1 2.91Å; E647-R681 IonicContact OE2-NH2 3.67Å; R679-R681 PolarHBondContact O-N 2.87Å; R681-R683 VanDerWaalsContact C-N 3.34Å; R681-R683 PolarHBondContact O-N 3.05Å; R681-L684 PolarHBondContact O-N 3.34Å; R681-S685 WeakPolarHBondContact O-CB 3.38Å; R681-S685 PolarHBondContact O-N 3.07Å |
| 682 | P | 89.9 | Confident | 90.1 | Very high | 35 Ų | 35 | 31.5 Ų | 31.5 | 23% | 0.227 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -53.7 | -45.4 | 170.3 | -30.3 | 36.1 | 0 | 0 | 0 | 113.5 | R679 L684 S685 H686 F823 | R679-P682 HydrophobicContact CB-CG 4.35Å; R679-P682 WeakPolarHBondContact O-CD 3.47Å; P682-L684 PolarHBondContact O-N 3.24Å; P682-S685 PolarHBondContact O-N 3.35Å; P682-H686 WeakPolarHBondContact O-CB 3.41Å; P682-H686 PolarHBondContact O-CD2 3.29Å; P682-H686 PolarHBondContact O-N 3.3Å; P682-F823 HydrophobicContact CB-CE2 4.38Å; P682-F823 HydrophobicContact CB-CZ 4.22Å |
| 683 | R | 91.3 | Very high | 90.4 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 2% | 0.023 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.6 | -51.3 | 177.5 | -70.2 | 176.7 | -180 | -103.9 | -0 | 112.2 | K678 R679 L680 R681 S685 H686 I687 F823 D831 F833 | K678-R683 PolarHBondContact O-NE 2.89Å; R679-R683 WeakPolarHBondContact O-CG 3.36Å; R679-R683 PolarHBondContact O-N 3.04Å; L680-R683 PolarHBondContact O-N 2.98Å; R681-R683 VanDerWaalsContact C-N 3.34Å; R681-R683 PolarHBondContact O-N 3.05Å; R683-S685 PolarHBondContact O-N 3.45Å; R683-H686 PolarHBondContact O-N 3.33Å; R683-I687 WeakPolarHBondContact O-CB 3.04Å; R683-I687 VanDerWaalsContact O-CG1 3.24Å; R683-I687 WeakPolarHBondContact O-CG1 3.48Å; R683-I687 PolarHBondContact O-N 3.49Å; R683-F823 HydrophobicContact CG-CE1 3.94Å; R683-F823 HydrophobicContact CG-CZ 3.67Å; R683-D831 IonicContact CZ-OD1 3.66Å; R683-D831 IonicContact CZ-OD2 3.35Å; R683-D831 IonicContact NH1-OD1 3.74Å; R683-D831 PolarHBondContact NH1-OD1 3.09Å; R683-D831 IonicContact NH1-OD2 2.77Å; R683-D831 PolarHBondContact NH1-OD2 2.97Å; R683-D831 IonicContact NH2-OD1 2.74Å; R683-D831 IonicContact NH2-OD2 2.67Å; R683-D831 PolarHBondContact NH2-OD2 3.49Å; R683-F833 HydrophobicContact CB-CD2 4.19Å; R683-F833 HydrophobicContact CB-CE2 3.81Å; R683-F833 HydrophobicContact CB-CZ 4.24Å; R683-F833 HydrophobicContact CG-CD1 4.37Å; R683-F833 HydrophobicContact CG-CD2 3.99Å; R683-F833 HydrophobicContact CG-CE1 4.23Å; R683-F833 HydrophobicContact CG-CE2 3.83Å; R683-F833 HydrophobicContact CG-CG 4.27Å; R683-F833 HydrophobicContact CG-CZ 3.97Å |
| 684 | L | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -38.3 | -179.9 | -69.8 | 169.7 | 0 | 0 | 0 | 112.6 | I625 I638 L641 V642 L645 L680 R681 P682 H686 L688 | I625-L684 HydrophobicContact CD1-CD2 3.89Å; I625-L684 HydrophobicContact CG1-CD2 4.13Å; I625-L684 HydrophobicContact CG2-CD2 4.24Å; I638-L684 HydrophobicContact CD1-CD2 4.09Å; I638-L684 HydrophobicContact CG2-CD2 4.43Å; I638-L684 WeakPolarHBondContact CG2-O 3.33Å; L641-L684 HydrophobicContact CD2-CD1 4.1Å; L641-L684 HydrophobicContact CD2-CD2 3.63Å; L641-L684 HydrophobicContact CG-CD1 3.89Å; L641-L684 HydrophobicContact CG-CD2 4.19Å; V642-L684 HydrophobicContact CG2-CB 3.61Å; L645-L684 HydrophobicContact CD2-CD1 4.16Å; L680-L684 HydrophobicContact CD1-CD1 3.81Å; L680-L684 HydrophobicContact CD1-CD2 4.49Å; L680-L684 HydrophobicContact CD1-CG 3.87Å; L680-L684 HydrophobicContact CG-CD1 3.84Å; L680-L684 HydrophobicContact CG-CG 4.35Å; L680-L684 WeakPolarHBondContact O-CG 3.44Å; L680-L684 PolarHBondContact O-N 2.95Å; R681-L684 PolarHBondContact O-N 3.34Å; P682-L684 PolarHBondContact O-N 3.24Å; L684-H686 VanDerWaalsContact C-N 3.32Å; L684-H686 PolarHBondContact O-N 3.03Å; L684-L688 WeakPolarHBondContact O-CB 3.25Å; L684-L688 PolarHBondContact O-N 2.88Å |
| 685 | S | 92.6 | Very high | 90.6 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 39% | 0.392 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.9 | -37.5 | 176.2 | -167.7 | 0 | 0 | 0 | 0 | 112.4 | R681 P682 R683 F689 | R681-S685 WeakPolarHBondContact O-CB 3.38Å; R681-S685 PolarHBondContact O-N 3.07Å; P682-S685 PolarHBondContact O-N 3.35Å; R683-S685 PolarHBondContact O-N 3.45Å; S685-F689 PolarHBondContact O-N 2.87Å; S685-F689 VanDerWaalsContact O-N 3.08Å |
| 686 | H | 93.5 | Very high | 90.8 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -80.1 | -33.9 | -179.6 | -67.6 | -37.7 | 0 | 0 | 0 | 112.7 | P682 R683 L684 F689 R690 L816 D819 F833 M837 | P682-H686 WeakPolarHBondContact O-CB 3.41Å; P682-H686 PolarHBondContact O-CD2 3.29Å; P682-H686 PolarHBondContact O-N 3.3Å; R683-H686 PolarHBondContact O-N 3.33Å; L684-H686 VanDerWaalsContact C-N 3.32Å; L684-H686 PolarHBondContact O-N 3.03Å; H686-F689 PolarHBondContact O-N 2.9Å; H686-R690 WeakPolarHBondContact O-CB 3.47Å; H686-R690 PolarHBondContact O-N 2.84Å; H686-L816 HydrophobicContact CB-CD1 3.89Å; H686-L816 VanDerWaalsContact CE1-CA 3.44Å; H686-L816 WeakPolarHBondContact CE1-CA 3.48Å; H686-L816 PolarHBondContact CE1-N 3.34Å; H686-D819 IonicContact CD2-OD2 3.82Å; H686-D819 IonicContact CE1-OD2 3.12Å; H686-D819 WeakPolarHBondContact NE2-CB 3.27Å; H686-D819 IonicContact NE2-OD2 2.74Å; H686-D819 PolarHBondContact NE2-OD2 3.17Å; H686-F833 HydrophobicContact CB-CE2 4.37Å; H686-F833 HydrophobicContact CB-CZ 4.06Å; H686-M837 HydrophobicContact CB-SD 4.26Å |
| 687 | I | 93.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 167.8 | -67.4 | 165.9 | 0 | 0 | 0 | 110.5 | I625 V628 L633 I638 R683 F689 R690 L691 F833 M837 | I625-I687 HydrophobicContact CG2-CD1 4.01Å; V628-I687 HydrophobicContact CG1-CG1 4.15Å; V628-I687 HydrophobicContact CG2-CD1 4.12Å; V628-I687 HydrophobicContact CG2-CG1 4.25Å; L633-I687 HydrophobicContact CD1-CG2 3.94Å; I638-I687 HydrophobicContact CD1-CG2 4.08Å; I638-I687 HydrophobicContact CG1-CG2 4.01Å; R683-I687 WeakPolarHBondContact O-CB 3.04Å; R683-I687 VanDerWaalsContact O-CG1 3.24Å; R683-I687 WeakPolarHBondContact O-CG1 3.48Å; R683-I687 PolarHBondContact O-N 3.49Å; I687-F689 PolarHBondContact O-N 3.3Å; I687-R690 WeakPolarHBondContact O-CB 3.34Å; I687-R690 PolarHBondContact O-N 2.85Å; I687-L691 HydrophobicContact CG2-CD1 4.14Å; I687-L691 WeakPolarHBondContact O-CG 3.41Å; I687-L691 PolarHBondContact O-N 3.28Å; I687-F833 HydrophobicContact CD1-CD2 4.42Å; I687-F833 HydrophobicContact CD1-CE2 4.47Å; I687-F833 HydrophobicContact CG1-CD2 4.43Å; I687-F833 HydrophobicContact CG1-CE2 4.19Å; I687-M837 HydrophobicContact CG1-CE 3.9Å |
| 688 | L | 93.6 | Very high | 91.6 | Very high | 24 Ų | 24 | 42.8 Ų | 42.8 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.9 | -48.5 | 175.9 | -178.2 | 54.4 | 0 | 0 | 0 | 111.3 | E635 I638 Q639 L684 R690 L691 Q692 | E635-L688 HydrophobicContact CG-CD1 3.72Å; I638-L688 HydrophobicContact CB-CD1 4.47Å; I638-L688 HydrophobicContact CG2-CB 3.72Å; I638-L688 HydrophobicContact CG2-CD1 4.39Å; Q639-L688 HydrophobicContact CG-CD1 3.6Å; Q639-L688 HydrophobicContact CG-CD2 4.07Å; L684-L688 WeakPolarHBondContact O-CB 3.25Å; L684-L688 PolarHBondContact O-N 2.88Å; L688-R690 PolarHBondContact O-N 3.03Å; L688-L691 PolarHBondContact O-N 3.16Å; L688-Q692 HydrophobicContact CD1-CG 4.1Å; L688-Q692 WeakPolarHBondContact O-CG 3.42Å; L688-Q692 PolarHBondContact O-N 3.46Å |
| 689 | F | 94.8 | Very high | 92 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60 | -43 | 176.8 | 178.1 | -125.3 | 0 | 0 | 0 | 112.3 | S685 H686 I687 L691 Q692 F693 M809 Q812 L813 F840 | S685-F689 PolarHBondContact O-N 2.87Å; S685-F689 VanDerWaalsContact O-N 3.08Å; H686-F689 PolarHBondContact O-N 2.9Å; I687-F689 PolarHBondContact O-N 3.3Å; F689-L691 VanDerWaalsContact C-N 3.29Å; F689-L691 PolarHBondContact O-N 2.94Å; F689-Q692 PolarHBondContact O-N 3.1Å; F689-F693 HydrophobicContact CE1-CD2 4.37Å; F689-F693 AromaticContact CE2-CD2 3.82Å; F689-F693 HydrophobicContact CE2-CD2 3.82Å; F689-F693 AromaticContact CZ-CD2 3.59Å; F689-F693 HydrophobicContact CZ-CD2 3.59Å; F689-F693 HydrophobicContact CZ-CE2 4.11Å; F689-F693 VanDerWaalsContact O-CB 3.32Å; F689-F693 WeakPolarHBondContact O-CB 3.3Å; F689-F693 PolarHBondContact O-N 2.89Å; F689-M809 HydrophobicContact CE2-CG 4.21Å; F689-M809 HydrophobicContact CZ-CG 4.18Å; F689-Q812 HydrophobicContact CD1-CB 4.06Å; F689-Q812 HydrophobicContact CD2-CB 3.75Å; F689-Q812 HydrophobicContact CD2-CG 4.22Å; F689-Q812 VanDerWaalsContact CD2-NE2 3.33Å; F689-Q812 HydrophobicContact CE1-CB 4Å; F689-Q812 HydrophobicContact CE2-CB 3.68Å; F689-Q812 HydrophobicContact CE2-CG 4.42Å; F689-Q812 HydrophobicContact CG-CB 3.95Å; F689-Q812 HydrophobicContact CZ-CB 3.82Å; F689-L813 HydrophobicContact CE1-CD2 3.78Å; F689-L813 HydrophobicContact CE1-CG 3.99Å; F689-L813 HydrophobicContact CZ-CD2 4.01Å; F689-L813 HydrophobicContact CZ-CG 3.86Å; F689-F840 AromaticContact CD1-CE1 3.79Å; F689-F840 HydrophobicContact CD1-CE1 3.79Å; F689-F840 HydrophobicContact CD1-CZ 4.03Å; F689-F840 AromaticContact CE1-CE1 3.92Å; F689-F840 HydrophobicContact CE1-CE1 3.92Å; F689-F840 AromaticContact CE1-CZ 3.93Å; F689-F840 HydrophobicContact CE1-CZ 3.93Å |
| 690 | R | 93.4 | Very high | 92.3 | Very high | 64 Ų | 64 | 38.6 Ų | 38.6 | 24% | 0.242 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.3 | -39.4 | 174.1 | 163 | 63.8 | -164.8 | 108.7 | -5.4 | 113 | E630 H686 I687 L688 M837 F840 | E630-R690 VanDerWaalsContact CD-NH2 3.31Å; E630-R690 IonicContact OE1-CZ 3.83Å; E630-R690 IonicContact OE1-NE 3.68Å; E630-R690 PolarHBondContact OE1-NE 3.36Å; E630-R690 IonicContact OE1-NH2 3.24Å; E630-R690 PolarHBondContact OE1-NH2 3.14Å; E630-R690 IonicContact OE2-CZ 2.84Å; E630-R690 IonicContact OE2-NE 2.62Å; E630-R690 IonicContact OE2-NH2 2.81Å; E630-R690 PolarHBondContact OE2-NH2 2.69Å; H686-R690 WeakPolarHBondContact O-CB 3.47Å; H686-R690 PolarHBondContact O-N 2.84Å; I687-R690 WeakPolarHBondContact O-CB 3.34Å; I687-R690 PolarHBondContact O-N 2.85Å; L688-R690 PolarHBondContact O-N 3.03Å; R690-M837 HydrophobicContact CB-CE 3.73Å; R690-M837 HydrophobicContact CB-SD 4.31Å; R690-M837 HydrophobicContact CG-CE 3.91Å; R690-F840 HydrophobicContact CB-CD1 4.09Å; R690-F840 HydrophobicContact CB-CE1 3.95Å; R690-F840 HydrophobicContact CB-CG 4.46Å; R690-F840 HydrophobicContact CB-CZ 4.19Å; R690-F840 VanDerWaalsContact CD-CD2 3.4Å |
| 691 | L | 92.5 | Very high | 92.6 | Very high | 46 Ų | 46 | 44.3 Ų | 44.3 | 24% | 0.241 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.9 | -39.6 | 178.8 | -66.5 | 167.4 | 0 | 0 | 0 | 112 | L633 E635 I638 I687 L688 F689 | L633-L691 VanDerWaalsContact O-CD1 3.23Å; L633-L691 WeakPolarHBondContact O-CD1 3.45Å; L633-L691 WeakPolarHBondContact O-CD2 3.39Å; E635-L691 HydrophobicContact CB-CB 4.42Å; I638-L691 HydrophobicContact CG1-CD1 3.94Å; I687-L691 HydrophobicContact CG2-CD1 4.14Å; I687-L691 WeakPolarHBondContact O-CG 3.41Å; I687-L691 PolarHBondContact O-N 3.28Å; L688-L691 PolarHBondContact O-N 3.16Å; F689-L691 VanDerWaalsContact C-N 3.29Å; F689-L691 PolarHBondContact O-N 2.94Å |
| 692 | Q | 93.1 | Very high | 92.9 | Very high | 29 Ų | 29 | 43.5 Ų | 43.5 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -80.4 | -20.5 | -178.5 | -66.7 | 179.7 | -47.2 | 0 | 0 | 114.3 | E635 L688 F689 E694 E695 H696 | E635-Q692 HydrophobicContact CG-CG 3.87Å; E635-Q692 WeakPolarHBondContact OE1-CG 3.44Å; E635-Q692 PolarHBondContact OE1-NE2 3.08Å; L688-Q692 HydrophobicContact CD1-CG 4.1Å; L688-Q692 WeakPolarHBondContact O-CG 3.42Å; L688-Q692 PolarHBondContact O-N 3.46Å; F689-Q692 PolarHBondContact O-N 3.1Å; Q692-E694 PolarHBondContact O-N 2.79Å; Q692-E695 PolarHBondContact O-N 3.41Å; Q692-H696 PolarHBondContact O-N 2.72Å |
| 693 | F | 94.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.4 | -47.1 | -168.7 | -176.8 | -98.2 | 0 | 0 | 0 | 113.9 | F689 E695 H696 V697 M809 F840 A844 Q847 | F689-F693 HydrophobicContact CE1-CD2 4.37Å; F689-F693 AromaticContact CE2-CD2 3.82Å; F689-F693 HydrophobicContact CE2-CD2 3.82Å; F689-F693 AromaticContact CZ-CD2 3.59Å; F689-F693 HydrophobicContact CZ-CD2 3.59Å; F689-F693 HydrophobicContact CZ-CE2 4.11Å; F689-F693 VanDerWaalsContact O-CB 3.32Å; F689-F693 WeakPolarHBondContact O-CB 3.3Å; F689-F693 PolarHBondContact O-N 2.89Å; F693-E695 VanDerWaalsContact C-N 3.34Å; F693-E695 PolarHBondContact O-N 2.83Å; F693-H696 PolarHBondContact O-N 3.37Å; F693-V697 HydrophobicContact CD1-CG2 4.02Å; F693-V697 HydrophobicContact CE1-CG2 3.54Å; F693-V697 HydrophobicContact CE2-CG2 4.19Å; F693-V697 HydrophobicContact CZ-CG2 3.63Å; F693-V697 WeakPolarHBondContact O-CG2 3.16Å; F693-V697 PolarHBondContact O-N 2.88Å; F693-M809 HydrophobicContact CD2-CE 4.36Å; F693-M809 HydrophobicContact CD2-CG 4.3Å; F693-M809 HydrophobicContact CD2-SD 4.29Å; F693-M809 HydrophobicContact CE2-CE 4.14Å; F693-M809 HydrophobicContact CE2-CG 3.87Å; F693-M809 HydrophobicContact CE2-SD 3.57Å; F693-M809 VanDerWaalsContact CE2-SD 3.57Å; F693-M809 HydrophobicContact CZ-SD 4.25Å; F693-F840 HydrophobicContact CB-CE2 3.85Å; F693-F840 HydrophobicContact CB-CZ 3.8Å; F693-F840 AromaticContact CD1-CE2 3.92Å; F693-F840 HydrophobicContact CD1-CE2 3.92Å; F693-F840 HydrophobicContact CD1-CZ 4.44Å; F693-F840 HydrophobicContact CD2-CE2 4.46Å; F693-F840 HydrophobicContact CD2-CZ 4.2Å; F693-F840 AromaticContact CG-CE2 3.81Å; F693-F840 HydrophobicContact CG-CE2 3.81Å; F693-F840 AromaticContact CG-CZ 3.89Å; F693-F840 HydrophobicContact CG-CZ 3.89Å; F693-A844 HydrophobicContact CD1-CB 4.3Å; F693-A844 HydrophobicContact CD2-CB 4.21Å; F693-A844 HydrophobicContact CE1-CB 3.86Å; F693-A844 HydrophobicContact CE2-CB 3.76Å; F693-A844 HydrophobicContact CG-CB 4.47Å; F693-A844 VanDerWaalsContact CZ-CA 3.46Å; F693-A844 HydrophobicContact CZ-CB 3.58Å; F693-A844 WeakPolarHBondContact CZ-O 3.49Å; F693-Q847 HydrophobicContact CE1-CB 4.06Å; F693-Q847 HydrophobicContact CE1-CG 4.49Å; F693-Q847 HydrophobicContact CZ-CB 4.04Å |
| 694 | E | 92.3 | Very high | 93.4 | Very high | 117 Ų | 117 | 44.5 Ų | 44.5 | 55% | 0.547 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.6 | -36 | -176.6 | -165.3 | 61.7 | -150.5 | 0 | 0 | 111.6 | Q692 V697 S698 | Q692-E694 PolarHBondContact O-N 2.79Å; E694-V697 PolarHBondContact O-N 3.01Å; E694-S698 VanDerWaalsContact O-CB 3.25Å; E694-S698 WeakPolarHBondContact O-CB 3.44Å; E694-S698 PolarHBondContact O-N 2.94Å |
| 695 | E | 91.8 | Very high | 93.5 | Very high | 105 Ų | 105 | 48.6 Ų | 48.6 | 49% | 0.491 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 173.8 | -160.7 | -155.5 | 122 | 0 | 0 | 110.8 | Q692 F693 V697 S698 N699 | Q692-E695 PolarHBondContact O-N 3.41Å; F693-E695 VanDerWaalsContact C-N 3.34Å; F693-E695 PolarHBondContact O-N 2.83Å; E695-V697 VanDerWaalsContact C-N 3.33Å; E695-V697 PolarHBondContact O-N 3.2Å; E695-S698 PolarHBondContact O-N 3.33Å; E695-N699 WeakPolarHBondContact O-CB 3.26Å; E695-N699 PolarHBondContact O-N 3.02Å; E695-N699 PolarHBondContact O-ND2 3.31Å; E695-N699 PolarHBondContact OE1-ND2 2.96Å |
| 696 | H | 92.1 | Very high | 93.7 | Very high | 48 Ų | 48 | 46.3 Ų | 46.3 | 22% | 0.222 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.6 | -40.2 | 175 | -67.6 | -16.3 | 0 | 0 | 0 | 112.3 | Q692 F693 L700 M809 | Q692-H696 PolarHBondContact O-N 2.72Å; F693-H696 PolarHBondContact O-N 3.37Å; H696-L700 WeakPolarHBondContact O-CB 3.45Å; H696-L700 WeakPolarHBondContact O-CD1 3.26Å; H696-L700 WeakPolarHBondContact O-CG 3.45Å; H696-L700 PolarHBondContact O-N 2.88Å; H696-L700 VanDerWaalsContact O-N 3.11Å; H696-M809 HydrophobicContact CB-CE 3.58Å |
| 697 | V | 93.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.9 | -45.6 | 173.7 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | F693 E694 E695 N699 R701 M809 L851 | F693-V697 HydrophobicContact CD1-CG2 4.02Å; F693-V697 HydrophobicContact CE1-CG2 3.54Å; F693-V697 HydrophobicContact CE2-CG2 4.19Å; F693-V697 HydrophobicContact CZ-CG2 3.63Å; F693-V697 WeakPolarHBondContact O-CG2 3.16Å; F693-V697 PolarHBondContact O-N 2.88Å; E694-V697 PolarHBondContact O-N 3.01Å; E695-V697 VanDerWaalsContact C-N 3.33Å; E695-V697 PolarHBondContact O-N 3.2Å; V697-N699 VanDerWaalsContact C-N 3.33Å; V697-N699 PolarHBondContact O-N 3.31Å; V697-R701 VanDerWaalsContact O-CB 3.27Å; V697-R701 WeakPolarHBondContact O-CB 3.41Å; V697-R701 PolarHBondContact O-N 3.43Å; V697-R701 VanDerWaalsContact O-N 3.11Å; V697-M809 HydrophobicContact CG2-CE 4.06Å; V697-L851 HydrophobicContact CB-CD1 4.29Å; V697-L851 HydrophobicContact CG1-CD1 4.23Å; V697-L851 HydrophobicContact CG2-CD1 3.91Å |
| 698 | S | 92.6 | Very high | 94 | Very high | 71 Ų | 71 | 46.6 Ų | 46.6 | 50% | 0.497 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.2 | -30.6 | -179.1 | -168.9 | 0 | 0 | 0 | 0 | 113.2 | E694 E695 P702 | E694-S698 VanDerWaalsContact O-CB 3.25Å; E694-S698 WeakPolarHBondContact O-CB 3.44Å; E694-S698 PolarHBondContact O-N 2.94Å; E695-S698 PolarHBondContact O-N 3.33Å; S698-P702 WeakPolarHBondContact O-CD 3.43Å; S698-P702 WeakPolarHBondContact O-CG 3.32Å |
| 699 | N | 91.5 | Very high | 94.1 | Very high | 87 Ų | 87 | 46.6 Ų | 46.6 | 47% | 0.465 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -81 | -38.6 | 177.9 | -68.8 | -15.9 | 0 | 0 | 0 | 112.2 | E695 V697 | E695-N699 WeakPolarHBondContact O-CB 3.26Å; E695-N699 PolarHBondContact O-N 3.02Å; E695-N699 PolarHBondContact O-ND2 3.31Å; E695-N699 PolarHBondContact OE1-ND2 2.96Å; V697-N699 VanDerWaalsContact C-N 3.33Å; V697-N699 PolarHBondContact O-N 3.31Å |
| 700 | L | 93.2 | Very high | 94.3 | Very high | 15 Ų | 15 | 46.6 Ų | 46.6 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -79.6 | -30.8 | -176.9 | -65.1 | 172 | 0 | 0 | 0 | 113.4 | H696 I704 L802 L806 M809 | H696-L700 WeakPolarHBondContact O-CB 3.45Å; H696-L700 WeakPolarHBondContact O-CD1 3.26Å; H696-L700 WeakPolarHBondContact O-CG 3.45Å; H696-L700 PolarHBondContact O-N 2.88Å; H696-L700 VanDerWaalsContact O-N 3.11Å; L700-I704 WeakPolarHBondContact O-CD1 3.28Å; L700-I704 VanDerWaalsContact O-CG1 3.31Å; L700-I704 WeakPolarHBondContact O-CG1 3.38Å; L700-I704 PolarHBondContact O-N 2.98Å; L700-L802 HydrophobicContact CD2-CD2 3.54Å; L700-L806 HydrophobicContact CD1-CD2 3.97Å; L700-L806 HydrophobicContact CD1-CG 4.28Å; L700-M809 HydrophobicContact CD1-CE 4.14Å |
| 701 | R | 94.9 | Very high | 94.5 | Very high | 121 Ų | 121 | 43.6 Ų | 43.6 | 46% | 0.457 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.8 | -44.6 | -174.7 | -171.8 | 176.5 | -179.7 | 157.4 | -0.1 | 114.7 | V697 L705 L851 M854 | V697-R701 VanDerWaalsContact O-CB 3.27Å; V697-R701 WeakPolarHBondContact O-CB 3.41Å; V697-R701 PolarHBondContact O-N 3.43Å; V697-R701 VanDerWaalsContact O-N 3.11Å; R701-L705 HydrophobicContact CG-CD1 4.07Å; R701-L705 WeakPolarHBondContact O-CG 3.43Å; R701-L705 PolarHBondContact O-N 3.45Å; R701-L705 VanDerWaalsContact O-N 3.13Å; R701-L851 HydrophobicContact CB-CD2 3.92Å; R701-L851 HydrophobicContact CG-CD2 4.28Å; R701-M854 HydrophobicContact CG-CE 4.08Å |
| 702 | P | 95.3 | Very high | 94.6 | Very high | 71 Ų | 71 | 45.4 Ų | 45.4 | 46% | 0.461 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.3 | -39.4 | -178.3 | -21.3 | 34.6 | 0 | 0 | 0 | 112.4 | S698 L705 A706 | S698-P702 WeakPolarHBondContact O-CD 3.43Å; S698-P702 WeakPolarHBondContact O-CG 3.32Å; P702-L705 PolarHBondContact O-N 3.24Å; P702-A706 WeakPolarHBondContact O-CB 3.43Å; P702-A706 PolarHBondContact O-N 3.09Å |
| 703 | D | 95.3 | Very high | 94.8 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63 | -47.8 | 179.3 | -78.8 | 11.2 | 0 | 0 | 0 | 111.8 | L705 A706 V707 V797 L802 | D703-L705 VanDerWaalsContact C-N 3.28Å; D703-L705 PolarHBondContact O-N 2.79Å; D703-A706 PolarHBondContact O-N 3.25Å; D703-V707 PolarHBondContact O-N 3.05Å; D703-V707 VanDerWaalsContact O-N 3.09Å; D703-V797 HydrophobicContact CB-CB 4.44Å; D703-V797 HydrophobicContact CB-CG1 3.8Å; D703-V797 HydrophobicContact CB-CG2 3.77Å; D703-L802 HydrophobicContact CB-CD1 4.23Å; D703-L802 HydrophobicContact CB-CD2 3.79Å |
| 704 | I | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.5 | -39.3 | 175 | -65.6 | 165.7 | 0 | 0 | 0 | 110.7 | L700 N708 L802 L806 L851 M854 H855 M858 | L700-I704 WeakPolarHBondContact O-CD1 3.28Å; L700-I704 VanDerWaalsContact O-CG1 3.31Å; L700-I704 WeakPolarHBondContact O-CG1 3.38Å; L700-I704 PolarHBondContact O-N 2.98Å; I704-N708 WeakPolarHBondContact CG2-ND2 3.36Å; I704-N708 WeakPolarHBondContact O-CB 3.35Å; I704-N708 PolarHBondContact O-N 2.84Å; I704-N708 VanDerWaalsContact O-N 3.09Å; I704-N708 PolarHBondContact O-ND2 3.09Å; I704-L802 HydrophobicContact CG1-CD1 3.88Å; I704-L806 HydrophobicContact CD1-CD1 4.25Å; I704-L851 HydrophobicContact CD1-CD2 4.35Å; I704-M854 HydrophobicContact CG2-CB 3.73Å; I704-M854 HydrophobicContact CG2-CE 4.33Å; I704-M854 WeakPolarHBondContact CG2-O 3.43Å; I704-H855 HydrophobicContact CD1-CB 4.31Å; I704-M858 HydrophobicContact CB-SD 4.37Å; I704-M858 HydrophobicContact CG1-SD 4.32Å; I704-M858 HydrophobicContact CG2-CB 4.32Å; I704-M858 HydrophobicContact CG2-SD 4.26Å |
| 705 | L | 95.1 | Very high | 95 | Very high | 86 Ų | 86 | 45.3 Ų | 45.3 | 45% | 0.45 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.6 | -39.9 | 176.3 | -74.6 | 170.3 | 0 | 0 | 0 | 112.6 | R701 P702 D703 N708 A709 M854 | R701-L705 HydrophobicContact CG-CD1 4.07Å; R701-L705 WeakPolarHBondContact O-CG 3.43Å; R701-L705 PolarHBondContact O-N 3.45Å; R701-L705 VanDerWaalsContact O-N 3.13Å; P702-L705 PolarHBondContact O-N 3.24Å; D703-L705 VanDerWaalsContact C-N 3.28Å; D703-L705 PolarHBondContact O-N 2.79Å; L705-N708 PolarHBondContact O-N 3.43Å; L705-A709 WeakPolarHBondContact O-CB 3.29Å; L705-A709 PolarHBondContact O-N 2.83Å; L705-M854 HydrophobicContact CD1-CE 4.22Å; L705-M854 HydrophobicContact CD2-CE 3.57Å; L705-M854 HydrophobicContact CG-CE 3.62Å |
| 706 | A | 96.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 47 Ų | 47 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | P702 D703 A710 R793 | P702-A706 WeakPolarHBondContact O-CB 3.43Å; P702-A706 PolarHBondContact O-N 3.09Å; D703-A706 PolarHBondContact O-N 3.25Å; A706-A710 VanDerWaalsContact O-CB 3.31Å; A706-A710 WeakPolarHBondContact O-CB 3.46Å; A706-A710 PolarHBondContact O-N 3.02Å; A706-R793 HydrophobicContact CB-CB 3.97Å |
| 707 | V | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.8 | -40.9 | 176 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | D703 A710 C711 A794 V797 M858 V878 F882 | D703-V707 PolarHBondContact O-N 3.05Å; D703-V707 VanDerWaalsContact O-N 3.09Å; V707-A710 PolarHBondContact O-N 3.26Å; V707-C711 WeakPolarHBondContact O-CB 3.19Å; V707-C711 PolarHBondContact O-N 3.16Å; V707-C711 PolarHBondContact O-SG 3.13Å; V707-A794 HydrophobicContact CG2-CB 4.09Å; V707-V797 HydrophobicContact CG2-CB 3.79Å; V707-V797 HydrophobicContact CG2-CG1 3.72Å; V707-V797 HydrophobicContact CG2-CG2 4.1Å; V707-M858 HydrophobicContact CB-CG 3.74Å; V707-M858 HydrophobicContact CB-SD 3.69Å; V707-M858 HydrophobicContact CG1-CG 3.42Å; V707-M858 VanDerWaalsContact CG1-CG 3.42Å; V707-M858 HydrophobicContact CG1-SD 3.78Å; V707-M858 HydrophobicContact CG2-SD 4.23Å; V707-V878 HydrophobicContact CB-CG1 4.42Å; V707-V878 HydrophobicContact CG1-CG1 3.6Å; V707-V878 HydrophobicContact CG2-CG1 3.86Å; V707-F882 HydrophobicContact CG1-CE2 4.2Å |
| 708 | N | 95.6 | Very high | 95.5 | Very high | 14 Ų | 14 | 55.2 Ų | 55.2 | 8% | 0.075 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.6 | -50 | 173.6 | -87.7 | -70.8 | 0 | 0 | 0 | 111.2 | I704 L705 C711 E712 M854 N857 M858 M861 | I704-N708 WeakPolarHBondContact CG2-ND2 3.36Å; I704-N708 WeakPolarHBondContact O-CB 3.35Å; I704-N708 PolarHBondContact O-N 2.84Å; I704-N708 VanDerWaalsContact O-N 3.09Å; I704-N708 PolarHBondContact O-ND2 3.09Å; L705-N708 PolarHBondContact O-N 3.43Å; N708-C711 PolarHBondContact O-N 3.1Å; N708-E712 PolarHBondContact O-N 2.69Å; N708-E712 VanDerWaalsContact O-N 3.1Å; N708-M854 PolarHBondContact ND2-O 2.72Å; N708-N857 PolarHBondContact OD1-ND2 2.7Å; N708-M858 WeakPolarHBondContact ND2-CB 3.33Å; N708-M858 WeakPolarHBondContact OD1-CA 3.45Å; N708-M858 PolarHBondContact OD1-N 3.29Å; N708-M861 HydrophobicContact CB-CE 3.83Å; N708-M861 VanDerWaalsContact O-CE 3.3Å; N708-M861 WeakPolarHBondContact O-CE 3.48Å; N708-M861 VanDerWaalsContact OD1-CE 3.22Å; N708-M861 WeakPolarHBondContact OD1-CE 3.46Å |
| 709 | A | 96.8 | Very high | 95.7 | Very high | 25 Ų | 25 | 52 Ų | 52 | 21% | 0.207 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.6 | -48.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L705 C711 E712 E713 H790 | L705-A709 WeakPolarHBondContact O-CB 3.29Å; L705-A709 PolarHBondContact O-N 2.83Å; A709-C711 VanDerWaalsContact C-N 3.31Å; A709-C711 PolarHBondContact O-N 3.03Å; A709-E712 PolarHBondContact O-N 2.89Å; A709-E713 WeakPolarHBondContact O-CB 3.26Å; A709-E713 VanDerWaalsContact O-CG 3.3Å; A709-E713 WeakPolarHBondContact O-CG 3.38Å; A709-E713 PolarHBondContact O-N 3.47Å; A709-H790 HydrophobicContact CB-CB 3.83Å |
| 710 | A | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.8 | -35.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A706 V707 V714 H790 V791 A794 F882 | A706-A710 VanDerWaalsContact O-CB 3.31Å; A706-A710 WeakPolarHBondContact O-CB 3.46Å; A706-A710 PolarHBondContact O-N 3.02Å; V707-A710 PolarHBondContact O-N 3.26Å; A710-V714 WeakPolarHBondContact O-CB 3.39Å; A710-V714 VanDerWaalsContact O-CG2 3.23Å; A710-V714 WeakPolarHBondContact O-CG2 3.24Å; A710-V714 PolarHBondContact O-N 3.18Å; A710-H790 HydrophobicContact CB-CB 4.23Å; A710-V791 HydrophobicContact CB-CG2 4.14Å; A710-A794 HydrophobicContact CB-CB 3.6Å; A710-F882 HydrophobicContact CB-CD1 3.93Å; A710-F882 HydrophobicContact CB-CE1 3.5Å; A710-F882 HydrophobicContact CB-CE2 4.39Å; A710-F882 HydrophobicContact CB-CZ 3.77Å |
| 711 | C | 97.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.4 | -38.8 | 172.2 | -70.1 | 0 | 0 | 0 | 0 | 112.5 | V707 N708 A709 R715 M861 L865 | V707-C711 WeakPolarHBondContact O-CB 3.19Å; V707-C711 PolarHBondContact O-N 3.16Å; V707-C711 PolarHBondContact O-SG 3.13Å; N708-C711 PolarHBondContact O-N 3.1Å; A709-C711 VanDerWaalsContact C-N 3.31Å; A709-C711 PolarHBondContact O-N 3.03Å; C711-R715 VanDerWaalsContact O-CB 3.24Å; C711-R715 WeakPolarHBondContact O-CB 3.3Å; C711-R715 PolarHBondContact O-N 2.95Å; C711-M861 HydrophobicContact CB-CB 3.98Å; C711-L865 HydrophobicContact CB-CD2 4.48Å |
| 712 | E | 95.4 | Very high | 96.2 | Very high | 84 Ų | 84 | 49 Ų | 49 | 39% | 0.393 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -73.3 | -44.4 | 179.5 | -175.1 | 168 | -178.4 | 0 | 0 | 111.9 | N708 A709 R715 K716 M861 | N708-E712 PolarHBondContact O-N 2.69Å; N708-E712 VanDerWaalsContact O-N 3.1Å; A709-E712 PolarHBondContact O-N 2.89Å; E712-R715 PolarHBondContact O-N 3.06Å; E712-K716 HydrophobicContact CG-CD 3.79Å; E712-K716 HydrophobicContact CG-CG 4.42Å; E712-K716 VanDerWaalsContact O-CB 3.28Å; E712-K716 WeakPolarHBondContact O-CB 3.43Å; E712-K716 WeakPolarHBondContact O-CG 3.4Å; E712-K716 PolarHBondContact O-N 3.26Å; E712-K716 WeakPolarHBondContact OE1-CE 3.39Å; E712-K716 IonicContact OE1-NZ 2.8Å; E712-K716 PolarHBondContact OE1-NZ 2.93Å; E712-M861 HydrophobicContact CB-CE 4.47Å |
| 713 | E | 97.1 | Very high | 96.2 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.7 | -58.5 | 174.5 | -76.1 | 174 | 179 | 0 | 0 | 111.7 | A709 R715 K716 S717 E787 L788 E789 H790 | A709-E713 WeakPolarHBondContact O-CB 3.26Å; A709-E713 VanDerWaalsContact O-CG 3.3Å; A709-E713 WeakPolarHBondContact O-CG 3.38Å; A709-E713 PolarHBondContact O-N 3.47Å; E713-R715 PolarHBondContact O-N 3.34Å; E713-K716 PolarHBondContact O-N 2.99Å; E713-K716 VanDerWaalsContact O-N 3.13Å; E713-S717 WeakPolarHBondContact O-CB 3.34Å; E713-S717 PolarHBondContact O-N 2.78Å; E713-E787 WeakPolarHBondContact CB-O 3.4Å; E713-E787 WeakPolarHBondContact CG-O 3.39Å; E713-L788 HydrophobicContact CB-CD2 3.92Å; E713-E789 PolarHBondContact OE2-N 3.03Å; E713-H790 IonicContact OE1-CE1 3.11Å; E713-H790 IonicContact OE1-CG 2.66Å; E713-H790 PolarHBondContact OE1-N 3.26Å; E713-H790 IonicContact OE1-ND1 3.59Å; E713-H790 PolarHBondContact OE1-ND1 3.23Å; E713-H790 PolarHBondContact OE2-N 3.31Å |
| 714 | V | 96.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.2 | -30.3 | -177.3 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | A710 F720 L788 V791 L865 F869 F882 L885 | A710-V714 WeakPolarHBondContact O-CB 3.39Å; A710-V714 VanDerWaalsContact O-CG2 3.23Å; A710-V714 WeakPolarHBondContact O-CG2 3.24Å; A710-V714 PolarHBondContact O-N 3.18Å; V714-F720 HydrophobicContact CG1-CD1 4.14Å; V714-F720 HydrophobicContact CG1-CE1 3.88Å; V714-L788 HydrophobicContact CB-CD2 4.26Å; V714-L788 HydrophobicContact CG2-CD1 4.39Å; V714-L788 HydrophobicContact CG2-CD2 3.71Å; V714-V791 HydrophobicContact CG2-CG2 3.75Å; V714-L865 HydrophobicContact CB-CD1 4.16Å; V714-L865 HydrophobicContact CG1-CD1 4.1Å; V714-F869 HydrophobicContact CG1-CE2 3.83Å; V714-F869 HydrophobicContact CG1-CZ 4.26Å; V714-F882 HydrophobicContact CG2-CE1 4.11Å; V714-L885 HydrophobicContact CG1-CD1 3.88Å; V714-L885 HydrophobicContact CG2-CD1 3.91Å |
| 715 | R | 95.3 | Very high | 96.3 | Very high | 107 Ų | 107 | 50.1 Ų | 50.1 | 40% | 0.404 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -77.3 | -35.2 | 175.4 | -170.2 | -173.2 | -173.9 | 85.5 | 0.4 | 113.3 | C711 E712 E713 N864 L865 | C711-R715 VanDerWaalsContact O-CB 3.24Å; C711-R715 WeakPolarHBondContact O-CB 3.3Å; C711-R715 PolarHBondContact O-N 2.95Å; E712-R715 PolarHBondContact O-N 3.06Å; E713-R715 PolarHBondContact O-N 3.34Å; R715-N864 PolarHBondContact NH1-O 3.02Å; R715-L865 HydrophobicContact CB-CD1 4.01Å |
| 716 | K | 95.1 | Very high | 96.3 | Very high | 140 Ų | 140 | 47 Ų | 47 | 61% | 0.609 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -94.1 | -20.1 | -174.1 | -70.6 | -175.7 | 178.3 | -179.3 | 0 | 114 | E712 E713 R718 | E712-K716 HydrophobicContact CG-CD 3.79Å; E712-K716 HydrophobicContact CG-CG 4.42Å; E712-K716 VanDerWaalsContact O-CB 3.28Å; E712-K716 WeakPolarHBondContact O-CB 3.43Å; E712-K716 WeakPolarHBondContact O-CG 3.4Å; E712-K716 PolarHBondContact O-N 3.26Å; E712-K716 WeakPolarHBondContact OE1-CE 3.39Å; E712-K716 IonicContact OE1-NZ 2.8Å; E712-K716 PolarHBondContact OE1-NZ 2.93Å; E713-K716 PolarHBondContact O-N 2.99Å; E713-K716 VanDerWaalsContact O-N 3.13Å; K716-R718 PolarHBondContact O-N 3.46Å |
| 717 | S | 97.4 | Very high | 96.3 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 8% | 0.077 | 22% | 0.215 | C | C | . | . | trans | -61.4 | 106.9 | -179 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | E713 A719 F720 G721 E787 | E713-S717 WeakPolarHBondContact O-CB 3.34Å; E713-S717 PolarHBondContact O-N 2.78Å; S717-A719 VanDerWaalsContact C-N 3.3Å; S717-F720 VanDerWaalsContact OG-CB 3.31Å; S717-F720 WeakPolarHBondContact OG-CB 3.34Å; S717-F720 PolarHBondContact OG-N 3.34Å; S717-G721 PolarHBondContact O-N 2.76Å; S717-G721 VanDerWaalsContact O-N 3.13Å; S717-E787 VanDerWaalsContact CA-OE2 3.24Å; S717-E787 WeakPolarHBondContact CA-OE2 3.13Å; S717-E787 VanDerWaalsContact CB-OE2 3.23Å; S717-E787 WeakPolarHBondContact CB-OE2 3.44Å; S717-E787 PolarHBondContact OG-OE2 2.9Å | ||
| 718 | R | 94.8 | Very high | 96.1 | Very high | 216 Ų | 216 | 49.2 Ų | 49.2 | 82% | 0.815 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -72.3 | -30.1 | 174.4 | -64.6 | -174.9 | -179.8 | -168.1 | 0.5 | 111.2 | K716 G721 R722 | K716-R718 PolarHBondContact O-N 3.46Å; R718-G721 PolarHBondContact O-N 3.02Å; R718-R722 WeakPolarHBondContact O-CG 3.23Å; R718-R722 PolarHBondContact O-N 2.83Å |
| 719 | A | 95.9 | Very high | 96 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S717 R722 L723 K783 F784 E787 | S717-A719 VanDerWaalsContact C-N 3.3Å; A719-R722 PolarHBondContact O-N 3.26Å; A719-L723 PolarHBondContact O-N 3.35Å; A719-K783 HydrophobicContact CB-CB 4.08Å; A719-F784 HydrophobicContact CB-CB 3.8Å; A719-E787 WeakPolarHBondContact CB-OE2 3.26Å |
| 720 | F | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 173.9 | -172.7 | -121.2 | 0 | 0 | 0 | 112 | V714 S717 R722 L723 L724 L748 L751 F784 L788 F869 L885 F888 | V714-F720 HydrophobicContact CG1-CD1 4.14Å; V714-F720 HydrophobicContact CG1-CE1 3.88Å; S717-F720 VanDerWaalsContact OG-CB 3.31Å; S717-F720 WeakPolarHBondContact OG-CB 3.34Å; S717-F720 PolarHBondContact OG-N 3.34Å; F720-R722 PolarHBondContact O-N 3.38Å; F720-L723 WeakPolarHBondContact O-CB 3.24Å; F720-L723 PolarHBondContact O-N 2.9Å; F720-L723 VanDerWaalsContact O-N 3.09Å; F720-L724 HydrophobicContact CD1-CD1 4.26Å; F720-L724 HydrophobicContact CE1-CD1 3.9Å; F720-L724 HydrophobicContact CE1-CD2 4.43Å; F720-L724 HydrophobicContact CE1-CG 4.35Å; F720-L724 HydrophobicContact CE2-CD2 4.2Å; F720-L724 HydrophobicContact CZ-CD1 4.27Å; F720-L724 HydrophobicContact CZ-CD2 3.97Å; F720-L724 HydrophobicContact CZ-CG 4.33Å; F720-L724 WeakPolarHBondContact O-CG 3.5Å; F720-L724 PolarHBondContact O-N 3.26Å; F720-L748 HydrophobicContact CE1-CD2 4.48Å; F720-L748 HydrophobicContact CZ-CD2 4.25Å; F720-L751 HydrophobicContact CE2-CD1 4.02Å; F720-L751 HydrophobicContact CZ-CD1 3.92Å; F720-F784 HydrophobicContact CB-CB 4.07Å; F720-F784 AromaticContact CD2-CD2 3.79Å; F720-F784 HydrophobicContact CD2-CD2 3.79Å; F720-F784 HydrophobicContact CD2-CE2 4.33Å; F720-F784 HydrophobicContact CD2-CG 4.5Å; F720-L788 HydrophobicContact CD2-CD1 4.21Å; F720-L788 HydrophobicContact CG-CD1 4.29Å; F720-F869 HydrophobicContact CD1-CZ 4.3Å; F720-F869 HydrophobicContact CE1-CE1 4.35Å; F720-F869 HydrophobicContact CE1-CZ 4.13Å; F720-L885 HydrophobicContact CE1-CD2 4.4Å; F720-L885 HydrophobicContact CE2-CD2 4.28Å; F720-L885 HydrophobicContact CZ-CD2 3.64Å; F720-F888 HydrophobicContact CE2-CD1 4.47Å; F720-F888 HydrophobicContact CE2-CE1 4.31Å |
| 721 | G | 95.9 | Very high | 95.5 | Very high | 26 Ų | 26 | 55.4 Ų | 55.4 | 27% | 0.268 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -54.6 | -47.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S717 R718 L723 L724 E725 | S717-G721 PolarHBondContact O-N 2.76Å; S717-G721 VanDerWaalsContact O-N 3.13Å; R718-G721 PolarHBondContact O-N 3.02Å; G721-L723 VanDerWaalsContact C-N 3.32Å; G721-L723 PolarHBondContact O-N 3.41Å; G721-L724 WeakPolarHBondContact O-CB 3.5Å; G721-L724 PolarHBondContact O-N 3.22Å; G721-E725 PolarHBondContact O-N 3.41Å; G721-E725 VanDerWaalsContact O-N 3.08Å |
| 722 | R | 95.9 | Very high | 95.2 | Very high | 131 Ų | 131 | 57.2 Ų | 57.2 | 49% | 0.494 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.7 | -33.9 | 175.8 | -75.8 | 179.8 | 168.9 | -161.6 | -10 | 113.4 | R718 A719 F720 E725 L726 D780 V781 | R718-R722 WeakPolarHBondContact O-CG 3.23Å; R718-R722 PolarHBondContact O-N 2.83Å; A719-R722 PolarHBondContact O-N 3.26Å; F720-R722 PolarHBondContact O-N 3.38Å; R722-E725 PolarHBondContact O-N 2.93Å; R722-L726 PolarHBondContact O-N 3.08Å; R722-D780 IonicContact CZ-OD2 3Å; R722-D780 IonicContact NE-OD2 2.7Å; R722-D780 IonicContact NH1-OD2 2.85Å; R722-D780 PolarHBondContact NH1-OD2 3.47Å; R722-V781 HydrophobicContact CB-CG2 3.79Å |
| 723 | L | 97 | Very high | 95 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -41 | 173.9 | -175 | 54.4 | 0 | 0 | 0 | 111.5 | A719 F720 G721 L726 V727 V781 F784 F888 F892 | A719-L723 PolarHBondContact O-N 3.35Å; F720-L723 WeakPolarHBondContact O-CB 3.24Å; F720-L723 PolarHBondContact O-N 2.9Å; F720-L723 VanDerWaalsContact O-N 3.09Å; G721-L723 VanDerWaalsContact C-N 3.32Å; G721-L723 PolarHBondContact O-N 3.41Å; L723-L726 PolarHBondContact O-N 3.11Å; L723-V727 HydrophobicContact CD1-CG2 4.44Å; L723-V727 VanDerWaalsContact O-CG2 3.27Å; L723-V727 WeakPolarHBondContact O-CG2 3.35Å; L723-V727 PolarHBondContact O-N 2.84Å; L723-V781 HydrophobicContact CB-CG1 3.7Å; L723-V781 HydrophobicContact CD1-CG1 4.09Å; L723-V781 HydrophobicContact CG-CG1 4.36Å; L723-F784 HydrophobicContact CD2-CD1 3.75Å; L723-F784 HydrophobicContact CD2-CD2 4.17Å; L723-F784 HydrophobicContact CD2-CE1 3.43Å; L723-F784 VanDerWaalsContact CD2-CE1 3.43Å; L723-F784 HydrophobicContact CD2-CE2 3.9Å; L723-F784 HydrophobicContact CD2-CG 4.1Å; L723-F784 HydrophobicContact CD2-CZ 3.51Å; L723-F888 HydrophobicContact CD2-CE1 3.71Å; L723-F888 HydrophobicContact CD2-CZ 3.8Å; L723-F888 HydrophobicContact CG-CZ 4.48Å; L723-F892 HydrophobicContact CD1-CE2 3.9Å; L723-F892 HydrophobicContact CD1-CZ 4.42Å; L723-F892 HydrophobicContact CD2-CD2 4.37Å; L723-F892 HydrophobicContact CD2-CE2 4.14Å |
| 724 | L | 96.7 | Very high | 94.8 | Very high | 23 Ų | 23 | 65.5 Ų | 65.5 | 12% | 0.12 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | 175.4 | -59 | 179.4 | 0 | 0 | 0 | 111.9 | F720 G721 V727 L728 F746 L748 L751 F869 | F720-L724 HydrophobicContact CD1-CD1 4.26Å; F720-L724 HydrophobicContact CE1-CD1 3.9Å; F720-L724 HydrophobicContact CE1-CD2 4.43Å; F720-L724 HydrophobicContact CE1-CG 4.35Å; F720-L724 HydrophobicContact CE2-CD2 4.2Å; F720-L724 HydrophobicContact CZ-CD1 4.27Å; F720-L724 HydrophobicContact CZ-CD2 3.97Å; F720-L724 HydrophobicContact CZ-CG 4.33Å; F720-L724 WeakPolarHBondContact O-CG 3.5Å; F720-L724 PolarHBondContact O-N 3.26Å; G721-L724 WeakPolarHBondContact O-CB 3.5Å; G721-L724 PolarHBondContact O-N 3.22Å; L724-V727 PolarHBondContact O-N 3.27Å; L724-L728 VanDerWaalsContact O-CB 3.3Å; L724-L728 WeakPolarHBondContact O-CB 3.46Å; L724-L728 PolarHBondContact O-N 3.45Å; L724-F746 HydrophobicContact CB-CZ 4.3Å; L724-F746 HydrophobicContact CD2-CE2 4Å; L724-F746 HydrophobicContact CD2-CZ 3.76Å; L724-L748 HydrophobicContact CD1-CD2 4.03Å; L724-L748 HydrophobicContact CD2-CD2 3.92Å; L724-L751 HydrophobicContact CD2-CD1 3.94Å; L724-L751 HydrophobicContact CD2-CD2 3.92Å; L724-L751 HydrophobicContact CD2-CG 4.41Å; L724-F869 HydrophobicContact CD1-CD1 4.07Å; L724-F869 HydrophobicContact CD1-CE1 3.55Å |
| 725 | E | 94.9 | Very high | 94.5 | Very high | 133 Ų | 133 | 68.1 Ų | 68.1 | 62% | 0.621 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.5 | -44.5 | 173.6 | -69.2 | 173.3 | 171.3 | 0 | 0 | 111.8 | G721 R722 L728 L729 | G721-E725 PolarHBondContact O-N 3.41Å; G721-E725 VanDerWaalsContact O-N 3.08Å; R722-E725 PolarHBondContact O-N 2.93Å; E725-L728 PolarHBondContact O-N 3.28Å; E725-L729 WeakPolarHBondContact O-CB 3.46Å; E725-L729 PolarHBondContact O-N 3.28Å |
| 726 | L | 95.4 | Very high | 94.3 | Very high | 21 Ų | 21 | 66.5 Ų | 66.5 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 177.7 | -177.3 | 62.9 | 0 | 0 | 0 | 112.2 | R722 L723 L728 L729 V730 L770 V773 F778 | R722-L726 PolarHBondContact O-N 3.08Å; L723-L726 PolarHBondContact O-N 3.11Å; L726-L728 VanDerWaalsContact C-N 3.3Å; L726-L728 PolarHBondContact O-N 2.91Å; L726-L729 PolarHBondContact O-N 3.46Å; L726-V730 HydrophobicContact CD1-CG2 4.32Å; L726-V730 WeakPolarHBondContact O-CG2 3.31Å; L726-V730 PolarHBondContact O-N 3Å; L726-L770 HydrophobicContact CD2-CD2 4.12Å; L726-L770 HydrophobicContact CG-CD2 3.95Å; L726-V773 HydrophobicContact CD2-CG1 4.28Å; L726-F778 HydrophobicContact CD1-CE2 4.35Å; L726-F778 HydrophobicContact CD2-CD2 4.3Å |
| 727 | V | 96.1 | Very high | 93.8 | Very high | 12 Ų | 12 | 64 Ų | 64 | 7% | 0.073 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 174.4 | 173 | 0 | 0 | 0 | 0 | 110.9 | L723 L724 G731 F746 L751 L754 L770 | L723-V727 HydrophobicContact CD1-CG2 4.44Å; L723-V727 VanDerWaalsContact O-CG2 3.27Å; L723-V727 WeakPolarHBondContact O-CG2 3.35Å; L723-V727 PolarHBondContact O-N 2.84Å; L724-V727 PolarHBondContact O-N 3.27Å; V727-G731 WeakPolarHBondContact O-CA 3.46Å; V727-G731 PolarHBondContact O-N 3.26Å; V727-F746 HydrophobicContact CB-CE1 3.92Å; V727-F746 HydrophobicContact CB-CZ 3.79Å; V727-F746 HydrophobicContact CG1-CD1 4.38Å; V727-F746 HydrophobicContact CG1-CE1 3.57Å; V727-F746 HydrophobicContact CG1-CE2 4.19Å; V727-F746 HydrophobicContact CG1-CZ 3.46Å; V727-F746 VanDerWaalsContact CG1-CZ 3.46Å; V727-L751 HydrophobicContact CG2-CD2 4.41Å; V727-L754 HydrophobicContact CG1-CD1 4.13Å; V727-L754 HydrophobicContact CG1-CD2 4.07Å; V727-L754 HydrophobicContact CG2-CD1 3.92Å; V727-L770 HydrophobicContact CG2-CD1 3.93Å |
| 728 | L | 93.4 | Very high | 93.5 | Very high | 41 Ų | 41 | 66 Ų | 66 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 177.4 | -175.4 | 64 | 0 | 0 | 0 | 111.9 | L724 E725 L726 N732 S743 F746 | L724-L728 VanDerWaalsContact O-CB 3.3Å; L724-L728 WeakPolarHBondContact O-CB 3.46Å; L724-L728 PolarHBondContact O-N 3.45Å; E725-L728 PolarHBondContact O-N 3.28Å; L726-L728 VanDerWaalsContact C-N 3.3Å; L726-L728 PolarHBondContact O-N 2.91Å; L728-N732 VanDerWaalsContact O-CB 3.28Å; L728-N732 WeakPolarHBondContact O-CB 3.4Å; L728-N732 PolarHBondContact O-N 3Å; L728-N732 PolarHBondContact O-ND2 3.31Å; L728-S743 WeakPolarHBondContact CD1-O 3.39Å; L728-F746 HydrophobicContact CB-CD1 4.37Å; L728-F746 HydrophobicContact CB-CE1 4.03Å; L728-F746 HydrophobicContact CD1-CD1 4.03Å |
| 729 | L | 93.8 | Very high | 93.1 | Very high | 119 Ų | 119 | 67.2 Ų | 67.2 | 62% | 0.623 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.3 | -53.9 | 176.5 | 175 | 61.7 | 0 | 0 | 0 | 111.5 | E725 L726 N732 Y733 | E725-L729 WeakPolarHBondContact O-CB 3.46Å; E725-L729 PolarHBondContact O-N 3.28Å; L726-L729 PolarHBondContact O-N 3.46Å; L729-N732 PolarHBondContact O-N 2.83Å; L729-Y733 PolarHBondContact O-N 2.87Å |
| 730 | V | 92.8 | Very high | 92.6 | Very high | 28 Ų | 28 | 70.9 Ų | 70.9 | 17% | 0.17 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.1 | -41.1 | -178.9 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | L726 N732 Y733 M734 L766 L770 | L726-V730 HydrophobicContact CD1-CG2 4.32Å; L726-V730 WeakPolarHBondContact O-CG2 3.31Å; L726-V730 PolarHBondContact O-N 3Å; V730-N732 PolarHBondContact O-N 2.62Å; V730-Y733 PolarHBondContact O-N 2.99Å; V730-M734 HydrophobicContact CG1-CG 4.31Å; V730-M734 HydrophobicContact CG1-SD 3.87Å; V730-M734 WeakPolarHBondContact O-CG 2.98Å; V730-M734 PolarHBondContact O-N 3.35Å; V730-L766 HydrophobicContact CG1-CD1 3.75Å; V730-L770 HydrophobicContact CB-CD2 4.46Å; V730-L770 HydrophobicContact CG2-CD2 4.12Å |
| 731 | G | 90.3 | Very high | 91.9 | Very high | 22 Ų | 22 | 72.1 Ų | 72.1 | 23% | 0.227 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V727 M734 N735 | V727-G731 WeakPolarHBondContact O-CA 3.46Å; V727-G731 PolarHBondContact O-N 3.26Å; G731-M734 PolarHBondContact O-N 2.87Å; G731-N735 VanDerWaalsContact O-CB 3.27Å; G731-N735 WeakPolarHBondContact O-CB 3.37Å; G731-N735 PolarHBondContact O-N 3.43Å; G731-N735 PolarHBondContact O-ND2 3.28Å |
| 732 | N | 90.8 | Very high | 91.6 | Very high | 41 Ų | 41 | 79.1 Ų | 79.1 | 22% | 0.219 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 176.3 | -88.9 | -51.3 | 0 | 0 | 0 | 113.1 | L728 L729 V730 A736 Q742 S743 | L728-N732 VanDerWaalsContact O-CB 3.28Å; L728-N732 WeakPolarHBondContact O-CB 3.4Å; L728-N732 PolarHBondContact O-N 3Å; L728-N732 PolarHBondContact O-ND2 3.31Å; L729-N732 PolarHBondContact O-N 2.83Å; V730-N732 PolarHBondContact O-N 2.62Å; N732-A736 PolarHBondContact O-N 3.25Å; N732-Q742 WeakPolarHBondContact OD1-CA 3.36Å; N732-Q742 PolarHBondContact OD1-N 2.96Å; N732-S743 PolarHBondContact ND2-O 2.82Å; N732-S743 PolarHBondContact OD1-N 3.24Å |
| 733 | Y | 93.2 | Very high | 91.4 | Very high | 194 Ų | 194 | 75.2 Ų | 75.2 | 76% | 0.761 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.8 | -48.3 | 175.2 | -175.6 | -94.1 | 0 | 0 | 0 | 111.5 | L729 V730 N735 A736 | L729-Y733 PolarHBondContact O-N 2.87Å; V730-Y733 PolarHBondContact O-N 2.99Å; Y733-N735 PolarHBondContact O-N 3.15Å; Y733-A736 WeakPolarHBondContact O-CB 3.4Å; Y733-A736 PolarHBondContact O-N 3.32Å |
| 734 | M | 91.3 | Very high | 91.2 | Very high | 102 Ų | 102 | 86.2 Ų | 86.2 | 50% | 0.502 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.7 | -31.6 | 179.9 | -68.3 | -179.5 | 72.1 | 0 | 0 | 113.5 | V730 G731 A736 T757 L766 | V730-M734 HydrophobicContact CG1-CG 4.31Å; V730-M734 HydrophobicContact CG1-SD 3.87Å; V730-M734 WeakPolarHBondContact O-CG 2.98Å; V730-M734 PolarHBondContact O-N 3.35Å; G731-M734 PolarHBondContact O-N 2.87Å; M734-A736 VanDerWaalsContact C-N 3.33Å; M734-T757 HydrophobicContact CE-CG2 3.78Å; M734-L766 HydrophobicContact CE-CD2 4.43Å; M734-L766 HydrophobicContact SD-CD1 3.8Å; M734-L766 HydrophobicContact SD-CD2 3.89Å; M734-L766 HydrophobicContact SD-CG 4.46Å |
| 735 | N | 91.7 | Very high | 90.9 | Very high | 58 Ų | 58 | 87.3 Ų | 87.3 | 31% | 0.31 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 5.2 | 178.7 | -75 | -70.7 | 0 | 0 | 0 | 113.9 | G731 Y733 G737 S738 N740 A741 | G731-N735 VanDerWaalsContact O-CB 3.27Å; G731-N735 WeakPolarHBondContact O-CB 3.37Å; G731-N735 PolarHBondContact O-N 3.43Å; G731-N735 PolarHBondContact O-ND2 3.28Å; Y733-N735 PolarHBondContact O-N 3.15Å; N735-G737 PolarHBondContact O-N 2.89Å; N735-S738 VanDerWaalsContact O-CB 3.25Å; N735-S738 WeakPolarHBondContact O-CB 3.47Å; N735-S738 PolarHBondContact O-N 3.25Å; N735-S738 PolarHBondContact O-OG 3.12Å; N735-N740 HydrophobicContact CB-CB 4.12Å; N735-A741 WeakPolarHBondContact O-CB 3.42Å |
| 736 | A | 91.1 | Very high | 90.9 | Very high | 72 Ų | 72 | 83.8 Ų | 83.8 | 60% | 0.595 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 132.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N732 Y733 M734 S738 | N732-A736 PolarHBondContact O-N 3.25Å; Y733-A736 WeakPolarHBondContact O-CB 3.4Å; Y733-A736 PolarHBondContact O-N 3.32Å; M734-A736 VanDerWaalsContact C-N 3.33Å; A736-S738 PolarHBondContact O-N 3.4Å |
| 737 | G | 83.9 | Confident | 90.7 | Very high | 88 Ų | 88 | 86.7 Ų | 86.7 | 91% | 0.907 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -5.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115.6 | N735 | N735-G737 PolarHBondContact O-N 2.89Š|
| 738 | S | 90.6 | Very high | 90.6 | Very high | 53 Ų | 53 | 86.5 Ų | 86.5 | 37% | 0.371 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -90.8 | 170.6 | 171.4 | 82.6 | 0 | 0 | 0 | 0 | 112.3 | N735 A736 N740 A741 | N735-S738 VanDerWaalsContact O-CB 3.25Å; N735-S738 WeakPolarHBondContact O-CB 3.47Å; N735-S738 PolarHBondContact O-N 3.25Å; N735-S738 PolarHBondContact O-OG 3.12Å; A736-S738 PolarHBondContact O-N 3.4Å; S738-N740 PolarHBondContact O-N 2.91Å; S738-N740 VanDerWaalsContact O-N 3.12Å; S738-N740 PolarHBondContact OG-N 2.55Å; S738-N740 VanDerWaalsContact OG-N 3.09Å; S738-A741 WeakPolarHBondContact O-CB 3.39Å; S738-A741 PolarHBondContact O-N 3.24Å; S738-A741 VanDerWaalsContact O-N 3.17Å |
| 739 | R | 87.5 | Confident | 90.4 | Very high | 241 Ų | 241 | 85.9 Ų | 85.9 | 91% | 0.909 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -17.6 | 171.3 | -168.3 | -178.5 | 66.6 | -170.7 | -1.7 | 113.7 | ||
| 740 | N | 84.6 | Confident | 90.4 | Very high | 81 Ų | 81 | 82 Ų | 82 | 43% | 0.433 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 0.3 | -177.8 | -58 | -4.2 | 0 | 0 | 0 | 112.6 | N735 S738 S743 | N735-N740 HydrophobicContact CB-CB 4.12Å; S738-N740 PolarHBondContact O-N 2.91Å; S738-N740 VanDerWaalsContact O-N 3.12Å; S738-N740 PolarHBondContact OG-N 2.55Å; S738-N740 VanDerWaalsContact OG-N 3.09Å; N740-S743 PolarHBondContact O-OG 3.23Å |
| 741 | A | 83.3 | Confident | 90.6 | Very high | 27 Ų | 27 | 80.8 Ų | 80.8 | 22% | 0.223 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 155.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N735 S738 S743 | N735-A741 WeakPolarHBondContact O-CB 3.42Å; S738-A741 WeakPolarHBondContact O-CB 3.39Å; S738-A741 PolarHBondContact O-N 3.24Å; S738-A741 VanDerWaalsContact O-N 3.17Å; A741-S743 PolarHBondContact O-N 3.13Å |
| 742 | Q | 89.1 | Confident | 90.8 | Very high | 173 Ų | 173 | 80.5 Ų | 80.5 | 81% | 0.808 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 31.2 | 175.4 | -49.3 | -177.8 | -81.2 | 0 | 0 | 113.6 | N732 | N732-Q742 WeakPolarHBondContact OD1-CA 3.36Å; N732-Q742 PolarHBondContact OD1-N 2.96Å |
| 743 | S | 92.8 | Very high | 91 | Very high | 49 Ų | 49 | 83.3 Ų | 83.3 | 34% | 0.343 | 44% | 0.443 | S | S | . | . | trans | -67.6 | 135.1 | 173.7 | -68.5 | 0 | 0 | 0 | 0 | 110.5 | L728 N732 N740 A741 | L728-S743 WeakPolarHBondContact CD1-O 3.39Å; N732-S743 PolarHBondContact ND2-O 2.82Å; N732-S743 PolarHBondContact OD1-N 3.24Å; N740-S743 PolarHBondContact O-OG 3.23Å; A741-S743 PolarHBondContact O-N 3.13Å | ||
| 744 | Y | 91.9 | Very high | 91.1 | Very high | 233 Ų | 233 | 75 Ų | 75 | 91% | 0.914 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -86.3 | -10.1 | 176.5 | -69.3 | -82.8 | 0 | 0 | 0 | 113.8 | ||
| 745 | G | 91.8 | Very high | 91.3 | Very high | 46 Ų | 46 | 74.3 Ų | 74.3 | 47% | 0.474 | 41% | 0.406 | S | S | . | . | trans | -178.2 | 176.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 746 | F | 93.6 | Very high | 91.4 | Very high | 59 Ų | 59 | 76.6 Ų | 76.6 | 26% | 0.259 | 42% | 0.418 | S | S | . | . | trans | -144.2 | 154.9 | 176.7 | 56.5 | -96.3 | 0 | 0 | 0 | 110.4 | L724 V727 L728 L751 | L724-F746 HydrophobicContact CB-CZ 4.3Å; L724-F746 HydrophobicContact CD2-CE2 4Å; L724-F746 HydrophobicContact CD2-CZ 3.76Å; V727-F746 HydrophobicContact CB-CE1 3.92Å; V727-F746 HydrophobicContact CB-CZ 3.79Å; V727-F746 HydrophobicContact CG1-CD1 4.38Å; V727-F746 HydrophobicContact CG1-CE1 3.57Å; V727-F746 HydrophobicContact CG1-CE2 4.19Å; V727-F746 HydrophobicContact CG1-CZ 3.46Å; V727-F746 VanDerWaalsContact CG1-CZ 3.46Å; L728-F746 HydrophobicContact CB-CD1 4.37Å; L728-F746 HydrophobicContact CB-CE1 4.03Å; L728-F746 HydrophobicContact CD1-CD1 4.03Å; F746-L751 HydrophobicContact CE2-CD2 3.74Å; F746-L751 HydrophobicContact CE2-CG 4.11Å; F746-L751 HydrophobicContact CZ-CD2 4.07Å | ||
| 747 | D | 92.1 | Very high | 91.5 | Very high | 82 Ų | 82 | 76.1 Ų | 76.1 | 44% | 0.439 | 41% | 0.408 | S | S | . | . | trans | -65.9 | 130.7 | 172.5 | 164.5 | 27.6 | 0 | 0 | 0 | 110.5 | S749 S750 | D747-S749 PolarHBondContact O-N 2.88Å; D747-S749 VanDerWaalsContact O-N 3.11Å; D747-S749 PolarHBondContact OD1-N 3.42Å; D747-S749 WeakPolarHBondContact OD2-CB 3.23Å; D747-S749 PolarHBondContact OD2-OG 2.83Å; D747-S750 WeakPolarHBondContact O-CB 3.19Å; D747-S750 PolarHBondContact O-N 2.96Å; D747-S750 PolarHBondContact O-OG 3.38Å | ||
| 748 | L | 92.4 | Very high | 92 | Very high | 8 Ų | 8 | 78 Ų | 78 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -54.7 | -29.2 | -177.5 | -66.8 | 178.6 | 0 | 0 | 0 | 113.3 | F720 L724 S750 L751 F869 V871 L881 | F720-L748 HydrophobicContact CE1-CD2 4.48Å; F720-L748 HydrophobicContact CZ-CD2 4.25Å; L724-L748 HydrophobicContact CD1-CD2 4.03Å; L724-L748 HydrophobicContact CD2-CD2 3.92Å; L748-S750 PolarHBondContact O-N 2.89Å; L748-L751 HydrophobicContact CD2-CD1 4.12Å; L748-L751 WeakPolarHBondContact O-CB 3.34Å; L748-L751 WeakPolarHBondContact O-CG 3.39Å; L748-L751 PolarHBondContact O-N 3.24Å; L748-F869 HydrophobicContact CD1-CB 3.81Å; L748-F869 HydrophobicContact CD1-CD1 4.23Å; L748-F869 HydrophobicContact CD1-CD2 4.14Å; L748-F869 HydrophobicContact CD1-CG 3.8Å; L748-F869 HydrophobicContact CD2-CD1 4.27Å; L748-F869 HydrophobicContact CG-CB 4.33Å; L748-V871 HydrophobicContact CD1-CG2 4.31Å; L748-L881 HydrophobicContact CD1-CD1 4.11Å |
| 749 | S | 90.8 | Very high | 92.1 | Very high | 28 Ų | 28 | 77 Ų | 77 | 20% | 0.196 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -58.8 | -15.7 | 173.6 | 83.2 | 0 | 0 | 0 | 0 | 113.3 | D747 L751 K753 D884 | D747-S749 PolarHBondContact O-N 2.88Å; D747-S749 VanDerWaalsContact O-N 3.11Å; D747-S749 PolarHBondContact OD1-N 3.42Å; D747-S749 WeakPolarHBondContact OD2-CB 3.23Å; D747-S749 PolarHBondContact OD2-OG 2.83Å; S749-L751 VanDerWaalsContact C-N 3.33Å; S749-K753 VanDerWaalsContact C-NZ 3.29Å; S749-K753 WeakPolarHBondContact O-CE 3.18Å; S749-K753 PolarHBondContact O-NZ 2.88Å; S749-K753 PolarHBondContact OG-NZ 3.03Å; S749-D884 WeakPolarHBondContact CA-OD2 3.1Å; S749-D884 VanDerWaalsContact CB-OD2 3.25Å; S749-D884 WeakPolarHBondContact CB-OD2 3.38Å |
| 750 | S | 93.9 | Very high | 92.4 | Very high | 38 Ų | 38 | 71 Ų | 71 | 27% | 0.266 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -73.8 | -21.7 | 176.8 | -48.7 | 0 | 0 | 0 | 0 | 113.3 | D747 L748 C752 K753 | D747-S750 WeakPolarHBondContact O-CB 3.19Å; D747-S750 PolarHBondContact O-N 2.96Å; D747-S750 PolarHBondContact O-OG 3.38Å; L748-S750 PolarHBondContact O-N 2.89Å; S750-C752 VanDerWaalsContact C-N 3.28Å; S750-C752 PolarHBondContact O-N 3.48Å; S750-K753 WeakPolarHBondContact O-CB 3.13Å; S750-K753 PolarHBondContact O-N 2.9Å |
| 751 | L | 95.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -59.8 | -40.3 | 176.5 | -65.3 | 173.7 | 0 | 0 | 0 | 111.5 | F720 L724 V727 F746 L748 S749 K753 L754 L885 F888 | F720-L751 HydrophobicContact CE2-CD1 4.02Å; F720-L751 HydrophobicContact CZ-CD1 3.92Å; L724-L751 HydrophobicContact CD2-CD1 3.94Å; L724-L751 HydrophobicContact CD2-CD2 3.92Å; L724-L751 HydrophobicContact CD2-CG 4.41Å; V727-L751 HydrophobicContact CG2-CD2 4.41Å; F746-L751 HydrophobicContact CE2-CD2 3.74Å; F746-L751 HydrophobicContact CE2-CG 4.11Å; F746-L751 HydrophobicContact CZ-CD2 4.07Å; L748-L751 HydrophobicContact CD2-CD1 4.12Å; L748-L751 WeakPolarHBondContact O-CB 3.34Å; L748-L751 WeakPolarHBondContact O-CG 3.39Å; L748-L751 PolarHBondContact O-N 3.24Å; S749-L751 VanDerWaalsContact C-N 3.33Å; L751-K753 PolarHBondContact O-N 3.45Å; L751-K753 VanDerWaalsContact O-N 3.13Å; L751-L754 HydrophobicContact CD2-CD1 4.08Å; L751-L754 WeakPolarHBondContact O-CB 3.42Å; L751-L754 WeakPolarHBondContact O-CG 3.35Å; L751-L754 PolarHBondContact O-N 2.95Å; L751-L885 HydrophobicContact CD1-CD2 4.34Å; L751-F888 HydrophobicContact CB-CB 4.17Å; L751-F888 HydrophobicContact CB-CD1 4.1Å; L751-F888 HydrophobicContact CB-CD2 3.61Å; L751-F888 HydrophobicContact CB-CE1 4.41Å; L751-F888 HydrophobicContact CB-CE2 3.96Å; L751-F888 HydrophobicContact CB-CG 3.68Å; L751-F888 HydrophobicContact CB-CZ 4.34Å; L751-F888 HydrophobicContact CD1-CD1 3.91Å; L751-F888 HydrophobicContact CD1-CE1 4.09Å; L751-F888 HydrophobicContact CD1-CG 4.31Å; L751-F888 HydrophobicContact CD2-CE1 4.28Å; L751-F888 HydrophobicContact CD2-CE2 4.32Å; L751-F888 HydrophobicContact CD2-CZ 4.05Å; L751-F888 HydrophobicContact CG-CD1 4.48Å |
| 752 | C | 95.1 | Very high | 92.9 | Very high | 16 Ų | 16 | 76.8 Ų | 76.8 | 11% | 0.108 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -61.9 | -18.6 | 175.4 | -72.3 | 0 | 0 | 0 | 0 | 114.4 | S750 K755 D884 M891 | S750-C752 VanDerWaalsContact C-N 3.28Å; S750-C752 PolarHBondContact O-N 3.48Å; C752-K755 VanDerWaalsContact O-CE 3.29Å; C752-K755 WeakPolarHBondContact O-CE 3.38Å; C752-D884 PolarHBondContact SG-O 3.29Å; C752-D884 PolarHBondContact SG-OD1 3.27Å; C752-M891 HydrophobicContact CB-CE 3.98Å |
| 753 | K | 95.5 | Very high | 92.8 | Very high | 100 Ų | 100 | 76.6 Ų | 76.6 | 44% | 0.435 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -96.2 | -10 | -174.4 | -50.4 | 172.6 | -165 | 129.2 | 0 | 112.6 | S749 S750 L751 K755 D756 | S749-K753 VanDerWaalsContact C-NZ 3.29Å; S749-K753 WeakPolarHBondContact O-CE 3.18Å; S749-K753 PolarHBondContact O-NZ 2.88Å; S749-K753 PolarHBondContact OG-NZ 3.03Å; S750-K753 WeakPolarHBondContact O-CB 3.13Å; S750-K753 PolarHBondContact O-N 2.9Å; L751-K753 PolarHBondContact O-N 3.45Å; L751-K753 VanDerWaalsContact O-N 3.13Å; K753-K755 PolarHBondContact O-N 3.03Å; K753-K755 VanDerWaalsContact O-N 3.13Å; K753-D756 WeakPolarHBondContact CA-OD2 3.3Å; K753-D756 WeakPolarHBondContact O-CB 3.45Å; K753-D756 PolarHBondContact O-N 2.82Å |
| 754 | L | 95.4 | Very high | 92.9 | Very high | 18 Ų | 18 | 76.7 Ų | 76.7 | 9% | 0.094 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.9 | 179.2 | -65.2 | 173.2 | 0 | 0 | 0 | 113.7 | V727 L751 L766 L767 L770 F888 | V727-L754 HydrophobicContact CG1-CD1 4.13Å; V727-L754 HydrophobicContact CG1-CD2 4.07Å; V727-L754 HydrophobicContact CG2-CD1 3.92Å; L751-L754 HydrophobicContact CD2-CD1 4.08Å; L751-L754 WeakPolarHBondContact O-CB 3.42Å; L751-L754 WeakPolarHBondContact O-CG 3.35Å; L751-L754 PolarHBondContact O-N 2.95Å; L754-L766 HydrophobicContact CD2-CD2 3.87Å; L754-L766 HydrophobicContact CD2-CG 4.35Å; L754-L766 WeakPolarHBondContact O-CB 3.41Å; L754-L767 HydrophobicContact CB-CB 4.09Å; L754-L767 HydrophobicContact CB-CD1 4.43Å; L754-L767 PolarHBondContact O-N 2.63Å; L754-L770 HydrophobicContact CD1-CD1 4.02Å; L754-L770 HydrophobicContact CD2-CD1 4.35Å; L754-F888 HydrophobicContact CD1-CE2 4.07Å |
| 755 | K | 94.1 | Very high | 93.1 | Very high | 88 Ų | 88 | 66.6 Ų | 66.6 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -23.2 | 173.7 | 74.4 | -166 | 171.9 | -171.2 | 0 | 113.4 | C752 K753 T765 L767 M891 | C752-K755 VanDerWaalsContact O-CE 3.29Å; C752-K755 WeakPolarHBondContact O-CE 3.38Å; K753-K755 PolarHBondContact O-N 3.03Å; K753-K755 VanDerWaalsContact O-N 3.13Å; K755-T765 WeakPolarHBondContact O-CB 3.18Å; K755-T765 VanDerWaalsContact O-CG2 3.26Å; K755-T765 WeakPolarHBondContact O-CG2 3.43Å; K755-L767 HydrophobicContact CB-CB 4.46Å; K755-L767 HydrophobicContact CB-CD2 4.14Å; K755-M891 HydrophobicContact CD-SD 3.55Å; K755-M891 VanDerWaalsContact CD-SD 3.55Å; K755-M891 PolarHBondContact NZ-SD 3.33Å |
| 756 | D | 94.6 | Very high | 93.3 | Very high | 107 Ų | 107 | 65.4 Ų | 65.4 | 57% | 0.572 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -26.1 | -171 | -55.6 | -40 | 0 | 0 | 0 | 111.1 | K753 K758 | K753-D756 WeakPolarHBondContact CA-OD2 3.3Å; K753-D756 WeakPolarHBondContact O-CB 3.45Å; K753-D756 PolarHBondContact O-N 2.82Å; D756-K758 PolarHBondContact O-N 2.93Å |
| 757 | T | 93.3 | Very high | 93.4 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -73.8 | 112 | 169.1 | -53.1 | 0 | 0 | 0 | 0 | 110.4 | M734 T765 L766 | M734-T757 HydrophobicContact CE-CG2 3.78Å; T757-T765 CarbonylContact O-C 3.46Å; T757-T765 VanDerWaalsContact O-CA 3.28Å; T757-T765 WeakPolarHBondContact O-CA 3.28Å; T757-T765 WeakPolarHBondContact O-CB 3.35Å; T757-L766 HydrophobicContact CG2-CB 4.09Å; T757-L766 HydrophobicContact CG2-CD2 4.28Å; T757-L766 PolarHBondContact O-N 3.5Å |
| 758 | K | 94.3 | Very high | 93.7 | Very high | 127 Ų | 127 | 60.3 Ų | 60.3 | 55% | 0.552 | 32% | 0.323 | S | S | * | . | B | Isolated β-bridge | trans | -99.3 | 159.4 | -179.6 | -59.3 | -164.8 | 177.7 | -171.7 | 0 | 113.3 | D756 Q762 T764 T765 | D756-K758 PolarHBondContact O-N 2.93Å; K758-Q762 HydrophobicContact CD-CB 4.44Å; K758-T764 WeakPolarHBondContact CA-O 3.39Å; K758-T765 HydrophobicContact CG-CG2 4.37Å |
| 759 | S | 91.8 | Very high | 93.9 | Very high | 32 Ų | 32 | 64.7 Ų | 64.7 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | trans | -63.8 | 161.3 | 166.6 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | D761 Q762 K763 T764 | S759-D761 VanDerWaalsContact CB-OD1 3.32Å; S759-D761 WeakPolarHBondContact CB-OD1 3.43Å; S759-D761 PolarHBondContact O-N 3.12Å; S759-D761 PolarHBondContact OG-OD1 3Å; S759-Q762 WeakPolarHBondContact O-CA 3.33Å; S759-Q762 PolarHBondContact O-N 3.39Å; S759-Q762 PolarHBondContact OG-N 3.06Å; S759-K763 PolarHBondContact OG-N 3.03Å; S759-T764 PolarHBondContact N-O 3.37Å; S759-T764 PolarHBondContact OG-N 3.17Å; S759-T764 VanDerWaalsContact OG-N 3.12Å; S759-T764 PolarHBondContact OG-O 3.38Å | ||
| 760 | A | 94.1 | Very high | 94.1 | Very high | 115 Ų | 115 | 63.5 Ų | 63.5 | 95% | 0.95 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 761 | D | 90.6 | Very high | 94.3 | Very high | 86 Ų | 86 | 61.7 Ų | 61.7 | 46% | 0.46 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 4 | 173.9 | 73.3 | -18.7 | 0 | 0 | 0 | 113.6 | S759 K763 | S759-D761 VanDerWaalsContact CB-OD1 3.32Å; S759-D761 WeakPolarHBondContact CB-OD1 3.43Å; S759-D761 PolarHBondContact O-N 3.12Å; S759-D761 PolarHBondContact OG-OD1 3Å; D761-K763 PolarHBondContact O-N 2.55Å; D761-K763 VanDerWaalsContact O-N 3.08Å; D761-K763 PolarHBondContact OD1-N 2.67Å; D761-K763 WeakPolarHBondContact OD2-CG 3.38Å; D761-K763 IonicContact OD2-NZ 2.78Å; D761-K763 PolarHBondContact OD2-NZ 2.83Å |
| 762 | Q | 89 | Confident | 94.2 | Very high | 144 Ų | 144 | 64.4 Ų | 64.4 | 67% | 0.673 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 58.9 | 9.2 | -179.9 | -51.3 | -175.2 | 37 | 0 | 0 | 116.5 | K758 S759 | K758-Q762 HydrophobicContact CD-CB 4.44Å; S759-Q762 WeakPolarHBondContact O-CA 3.33Å; S759-Q762 PolarHBondContact O-N 3.39Å; S759-Q762 PolarHBondContact OG-N 3.06Å |
| 763 | K | 86.9 | Confident | 94.2 | Very high | 169 Ų | 169 | 64.6 Ų | 64.6 | 74% | 0.735 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -78.9 | -32.3 | -178.7 | -62.2 | -159.3 | -152.1 | 92.5 | 0 | 114.1 | S759 D761 | S759-K763 PolarHBondContact OG-N 3.03Å; D761-K763 PolarHBondContact O-N 2.55Å; D761-K763 VanDerWaalsContact O-N 3.08Å; D761-K763 PolarHBondContact OD1-N 2.67Å; D761-K763 WeakPolarHBondContact OD2-CG 3.38Å; D761-K763 IonicContact OD2-NZ 2.78Å; D761-K763 PolarHBondContact OD2-NZ 2.83Å |
| 764 | T | 93.2 | Very high | 94.2 | Very high | 51 Ų | 51 | 59.8 Ų | 59.8 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -128.5 | 173 | -176.3 | -169.4 | 0 | 0 | 0 | 0 | 111 | K758 S759 H768 | K758-T764 WeakPolarHBondContact CA-O 3.39Å; S759-T764 PolarHBondContact N-O 3.37Å; S759-T764 PolarHBondContact OG-N 3.17Å; S759-T764 VanDerWaalsContact OG-N 3.12Å; S759-T764 PolarHBondContact OG-O 3.38Å; T764-H768 WeakPolarHBondContact OG1-CB 3.39Å |
| 765 | T | 96.4 | Very high | 94.1 | Very high | 21 Ų | 21 | 62.3 Ų | 62.3 | 13% | 0.129 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -128.5 | 162.3 | -178.2 | 76.3 | 0 | 0 | 0 | 0 | 111.3 | K755 T757 K758 L767 H768 F769 | K755-T765 WeakPolarHBondContact O-CB 3.18Å; K755-T765 VanDerWaalsContact O-CG2 3.26Å; K755-T765 WeakPolarHBondContact O-CG2 3.43Å; T757-T765 CarbonylContact O-C 3.46Å; T757-T765 VanDerWaalsContact O-CA 3.28Å; T757-T765 WeakPolarHBondContact O-CA 3.28Å; T757-T765 WeakPolarHBondContact O-CB 3.35Å; K758-T765 HydrophobicContact CG-CG2 4.37Å; T765-L767 PolarHBondContact O-N 3.07Å; T765-H768 WeakPolarHBondContact O-CB 3.35Å; T765-H768 PolarHBondContact O-N 3.02Å; T765-H768 PolarHBondContact OG1-N 3.16Å; T765-H768 PolarHBondContact OG1-ND1 3.49Å; T765-F769 PolarHBondContact O-N 3.07Å |
| 766 | L | 95.6 | Very high | 94.1 | Very high | 21 Ų | 21 | 63.9 Ų | 63.9 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.5 | -35.2 | 177.7 | 176 | 59.6 | 0 | 0 | 0 | 111.6 | V730 M734 L754 T757 F769 L770 | V730-L766 HydrophobicContact CG1-CD1 3.75Å; M734-L766 HydrophobicContact CE-CD2 4.43Å; M734-L766 HydrophobicContact SD-CD1 3.8Å; M734-L766 HydrophobicContact SD-CD2 3.89Å; M734-L766 HydrophobicContact SD-CG 4.46Å; L754-L766 HydrophobicContact CD2-CD2 3.87Å; L754-L766 HydrophobicContact CD2-CG 4.35Å; L754-L766 WeakPolarHBondContact O-CB 3.41Å; T757-L766 HydrophobicContact CG2-CB 4.09Å; T757-L766 HydrophobicContact CG2-CD2 4.28Å; T757-L766 PolarHBondContact O-N 3.5Å; L766-F769 HydrophobicContact CD1-CD1 4.33Å; L766-F769 PolarHBondContact O-N 3.29Å; L766-L770 HydrophobicContact CD1-CD1 4.13Å; L766-L770 HydrophobicContact CD1-CG 4.17Å; L766-L770 HydrophobicContact CG-CD1 3.99Å; L766-L770 WeakPolarHBondContact O-CB 3.36Å; L766-L770 WeakPolarHBondContact O-CD1 3.43Å; L766-L770 VanDerWaalsContact O-CG 3.26Å; L766-L770 WeakPolarHBondContact O-CG 3.36Å; L766-L770 PolarHBondContact O-N 3.25Å |
| 767 | L | 97.4 | Very high | 94 | Very high | 6 Ų | 6 | 64.6 Ų | 64.6 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 171.9 | -176.9 | 61.2 | 0 | 0 | 0 | 113 | L754 K755 T765 L770 A771 F888 M891 F892 A895 | L754-L767 HydrophobicContact CB-CB 4.09Å; L754-L767 HydrophobicContact CB-CD1 4.43Å; L754-L767 PolarHBondContact O-N 2.63Å; K755-L767 HydrophobicContact CB-CB 4.46Å; K755-L767 HydrophobicContact CB-CD2 4.14Å; T765-L767 PolarHBondContact O-N 3.07Å; L767-L770 PolarHBondContact O-N 2.99Å; L767-A771 WeakPolarHBondContact O-CB 3.37Å; L767-A771 PolarHBondContact O-N 2.74Å; L767-F888 HydrophobicContact CD1-CE2 3.77Å; L767-M891 HydrophobicContact CD2-CB 3.83Å; L767-F892 HydrophobicContact CD1-CB 4.39Å; L767-F892 HydrophobicContact CD1-CD2 3.8Å; L767-A895 HydrophobicContact CD2-CB 4.47Å; L767-A895 HydrophobicContact CG-CB 4.12Å |
| 768 | H | 96.9 | Very high | 94.1 | Very high | 29 Ų | 29 | 65.6 Ų | 65.6 | 13% | 0.134 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 176.1 | -73.8 | 97.7 | 0 | 0 | 0 | 111.8 | T764 T765 A771 E772 E898 N899 | T764-H768 WeakPolarHBondContact OG1-CB 3.39Å; T765-H768 WeakPolarHBondContact O-CB 3.35Å; T765-H768 PolarHBondContact O-N 3.02Å; T765-H768 PolarHBondContact OG1-N 3.16Å; T765-H768 PolarHBondContact OG1-ND1 3.49Å; H768-A771 PolarHBondContact O-N 2.8Å; H768-E772 WeakPolarHBondContact O-CB 3.33Å; H768-E772 PolarHBondContact O-N 3.21Å; H768-E898 IonicContact CE1-OE2 2.61Å; H768-E898 IonicContact NE2-OE2 3.87Å; H768-E898 PolarHBondContact NE2-OE2 3.02Å; H768-N899 PolarHBondContact CD2-OD1 3.15Å; H768-N899 VanDerWaalsContact CD2-OD1 3.27Å; H768-N899 PolarHBondContact O-ND2 3.47Å |
| 769 | F | 96.4 | Very high | 94 | Very high | 100 Ų | 100 | 63.1 Ų | 63.1 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 175.3 | 175.9 | -100.9 | 0 | 0 | 0 | 112.1 | T765 L766 E772 V773 | T765-F769 PolarHBondContact O-N 3.07Å; L766-F769 HydrophobicContact CD1-CD1 4.33Å; L766-F769 PolarHBondContact O-N 3.29Å; F769-E772 PolarHBondContact O-N 3.33Å; F769-V773 HydrophobicContact CD1-CG2 4.42Å; F769-V773 HydrophobicContact CD2-CG2 4.42Å; F769-V773 HydrophobicContact CE1-CG2 4Å; F769-V773 HydrophobicContact CE2-CG2 4.01Å; F769-V773 HydrophobicContact CZ-CG2 3.78Å; F769-V773 WeakPolarHBondContact O-CB 3.24Å; F769-V773 WeakPolarHBondContact O-CG2 3.5Å; F769-V773 PolarHBondContact O-N 3.42Å |
| 770 | L | 96.3 | Very high | 94 | Very high | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 175.4 | -75.1 | 164.1 | 0 | 0 | 0 | 112.1 | L726 V727 V730 L754 L766 L767 V773 C774 | L726-L770 HydrophobicContact CD2-CD2 4.12Å; L726-L770 HydrophobicContact CG-CD2 3.95Å; V727-L770 HydrophobicContact CG2-CD1 3.93Å; V730-L770 HydrophobicContact CB-CD2 4.46Å; V730-L770 HydrophobicContact CG2-CD2 4.12Å; L754-L770 HydrophobicContact CD1-CD1 4.02Å; L754-L770 HydrophobicContact CD2-CD1 4.35Å; L766-L770 HydrophobicContact CD1-CD1 4.13Å; L766-L770 HydrophobicContact CD1-CG 4.17Å; L766-L770 HydrophobicContact CG-CD1 3.99Å; L766-L770 WeakPolarHBondContact O-CB 3.36Å; L766-L770 WeakPolarHBondContact O-CD1 3.43Å; L766-L770 VanDerWaalsContact O-CG 3.26Å; L766-L770 WeakPolarHBondContact O-CG 3.36Å; L766-L770 PolarHBondContact O-N 3.25Å; L767-L770 PolarHBondContact O-N 2.99Å; L770-V773 PolarHBondContact O-N 2.94Å; L770-C774 WeakPolarHBondContact O-CB 3.47Å; L770-C774 PolarHBondContact O-N 2.79Å; L770-C774 PolarHBondContact O-SG 3.08Å |
| 771 | A | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L767 H768 E775 F892 A895 L896 | L767-A771 WeakPolarHBondContact O-CB 3.37Å; L767-A771 PolarHBondContact O-N 2.74Å; H768-A771 PolarHBondContact O-N 2.8Å; A771-E775 PolarHBondContact O-N 2.9Å; A771-F892 HydrophobicContact CB-CE1 4.22Å; A771-F892 HydrophobicContact CB-CE2 4.17Å; A771-F892 HydrophobicContact CB-CZ 3.99Å; A771-A895 HydrophobicContact CB-CB 4.11Å; A771-L896 HydrophobicContact CB-CD2 3.89Å; A771-L896 HydrophobicContact CB-CG 4.14Å; A771-L896 WeakPolarHBondContact O-CD2 3.19Å |
| 772 | E | 95.2 | Very high | 94.1 | Very high | 59 Ų | 59 | 56.9 Ų | 56.9 | 28% | 0.276 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.6 | -49.5 | 173.7 | -171.7 | 163.4 | -126.2 | 0 | 0 | 111.8 | H768 F769 C774 E775 E776 N899 | H768-E772 WeakPolarHBondContact O-CB 3.33Å; H768-E772 PolarHBondContact O-N 3.21Å; F769-E772 PolarHBondContact O-N 3.33Å; E772-C774 VanDerWaalsContact C-N 3.28Å; E772-C774 PolarHBondContact O-N 3.42Å; E772-E775 PolarHBondContact O-N 2.63Å; E772-E776 PolarHBondContact O-N 3.09Å; E772-N899 PolarHBondContact N-ND2 2.97Å |
| 773 | V | 94.7 | Very high | 94.4 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -35.9 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 111.9 | L726 F769 L770 Q777 F778 | L726-V773 HydrophobicContact CD2-CG1 4.28Å; F769-V773 HydrophobicContact CD1-CG2 4.42Å; F769-V773 HydrophobicContact CD2-CG2 4.42Å; F769-V773 HydrophobicContact CE1-CG2 4Å; F769-V773 HydrophobicContact CE2-CG2 4.01Å; F769-V773 HydrophobicContact CZ-CG2 3.78Å; F769-V773 WeakPolarHBondContact O-CB 3.24Å; F769-V773 WeakPolarHBondContact O-CG2 3.5Å; F769-V773 PolarHBondContact O-N 3.42Å; L770-V773 PolarHBondContact O-N 2.94Å; V773-Q777 WeakPolarHBondContact O-CB 3.4Å; V773-Q777 PolarHBondContact O-N 2.91Å; V773-F778 HydrophobicContact CG1-CD2 4Å; V773-F778 HydrophobicContact CG1-CE2 3.85Å; V773-F778 PolarHBondContact O-N 3.43Å |
| 774 | C | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.2 | -39.8 | 172.4 | -67.5 | 0 | 0 | 0 | 0 | 112.4 | L770 E772 F778 P779 L782 F892 | L770-C774 WeakPolarHBondContact O-CB 3.47Å; L770-C774 PolarHBondContact O-N 2.79Å; L770-C774 PolarHBondContact O-SG 3.08Å; E772-C774 VanDerWaalsContact C-N 3.28Å; E772-C774 PolarHBondContact O-N 3.42Å; C774-F778 CarbonylContact O-C 3.57Å; C774-F778 PolarHBondContact O-N 3.06Å; C774-F778 VanDerWaalsContact O-O 3.06Å; C774-P779 WeakPolarHBondContact O-CA 3.15Å; C774-P779 VanDerWaalsContact O-N 3.15Å; C774-L782 HydrophobicContact CB-CD2 3.64Å; C774-L782 HydrophobicContact CB-CG 4.45Å; C774-F892 HydrophobicContact CB-CZ 4.13Å |
| 775 | E | 93.9 | Very high | 94.9 | Very high | 70 Ų | 70 | 46.1 Ų | 46.1 | 33% | 0.327 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.5 | -38 | 178.1 | -161.4 | -161.7 | -118 | 0 | 0 | 112.8 | A771 E772 L782 L896 R903 | A771-E775 PolarHBondContact O-N 2.9Å; E772-E775 PolarHBondContact O-N 2.63Å; E775-L782 HydrophobicContact CB-CD1 4.36Å; E775-L782 HydrophobicContact CG-CD1 4.25Å; E775-L896 HydrophobicContact CB-CD2 4.43Å; E775-R903 VanDerWaalsContact CD-NH2 3.35Å; E775-R903 IonicContact OE1-NH2 3.17Å; E775-R903 PolarHBondContact OE1-NH2 3.5Å; E775-R903 IonicContact OE2-CZ 3.51Å; E775-R903 IonicContact OE2-NH1 2.6Å; E775-R903 PolarHBondContact OE2-NH1 3.45Å; E775-R903 IonicContact OE2-NH2 2.78Å; E775-R903 PolarHBondContact OE2-NH2 3.47Å |
| 776 | E | 92.5 | Very high | 94.8 | Very high | 122 Ų | 122 | 51.1 Ų | 51.1 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -84.2 | -39.4 | -177.2 | -66.2 | -165.5 | 152.3 | 0 | 0 | 114.1 | E772 | E772-E776 PolarHBondContact O-N 3.09Å |
| 777 | Q | 93.7 | Very high | 94.8 | Very high | 122 Ų | 122 | 53.5 Ų | 53.5 | 57% | 0.57 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -118.3 | -25.2 | -166.3 | -58.9 | 178.8 | 38.5 | 0 | 0 | 114 | V773 | V773-Q777 WeakPolarHBondContact O-CB 3.4Å; V773-Q777 PolarHBondContact O-N 2.91Å |
| 778 | F | 94.1 | Very high | 94.7 | Very high | 82 Ų | 82 | 53.4 Ų | 53.4 | 36% | 0.36 | 26% | 0.262 | S | S | . | . | trans | -134.4 | 58.5 | -177.7 | -49.6 | -75 | 0 | 0 | 0 | 113.2 | L726 V773 C774 D780 V781 | L726-F778 HydrophobicContact CD1-CE2 4.35Å; L726-F778 HydrophobicContact CD2-CD2 4.3Å; V773-F778 HydrophobicContact CG1-CD2 4Å; V773-F778 HydrophobicContact CG1-CE2 3.85Å; V773-F778 PolarHBondContact O-N 3.43Å; C774-F778 CarbonylContact O-C 3.57Å; C774-F778 PolarHBondContact O-N 3.06Å; C774-F778 VanDerWaalsContact O-O 3.06Å; F778-D780 PolarHBondContact O-N 3.29Å; F778-V781 HydrophobicContact CB-CB 4.31Å; F778-V781 HydrophobicContact CB-CG2 3.68Å; F778-V781 VanDerWaalsContact O-CB 3.26Å; F778-V781 WeakPolarHBondContact O-CB 3.29Å; F778-V781 PolarHBondContact O-N 3.48Å | ||
| 779 | P | 92.5 | Very high | 94.5 | Very high | 74 Ų | 74 | 56.6 Ų | 56.6 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.3 | -170.1 | -20.4 | 33.9 | 0 | 0 | 0 | 114.2 | C774 V781 L782 | C774-P779 WeakPolarHBondContact O-CA 3.15Å; C774-P779 VanDerWaalsContact O-N 3.15Å; P779-V781 VanDerWaalsContact C-N 3.28Å; P779-L782 PolarHBondContact O-N 3.34Å |
| 780 | D | 91.3 | Very high | 94.5 | Very high | 58 Ų | 58 | 53.8 Ų | 53.8 | 31% | 0.31 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26.4 | 171.6 | 62.7 | -66.7 | 0 | 0 | 0 | 113.1 | R722 F778 L782 K783 | R722-D780 IonicContact CZ-OD2 3Å; R722-D780 IonicContact NE-OD2 2.7Å; R722-D780 IonicContact NH1-OD2 2.85Å; R722-D780 PolarHBondContact NH1-OD2 3.47Å; F778-D780 PolarHBondContact O-N 3.29Å; D780-L782 VanDerWaalsContact C-N 3.33Å; D780-K783 WeakPolarHBondContact O-CB 3.32Å; D780-K783 WeakPolarHBondContact O-CG 3.47Å; D780-K783 PolarHBondContact O-N 3.4Å |
| 781 | V | 94.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -68.3 | -32.7 | 176.4 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | R722 L723 F778 P779 K783 F784 | R722-V781 HydrophobicContact CB-CG2 3.79Å; L723-V781 HydrophobicContact CB-CG1 3.7Å; L723-V781 HydrophobicContact CD1-CG1 4.09Å; L723-V781 HydrophobicContact CG-CG1 4.36Å; F778-V781 HydrophobicContact CB-CB 4.31Å; F778-V781 HydrophobicContact CB-CG2 3.68Å; F778-V781 VanDerWaalsContact O-CB 3.26Å; F778-V781 WeakPolarHBondContact O-CB 3.29Å; F778-V781 PolarHBondContact O-N 3.48Å; P779-V781 VanDerWaalsContact C-N 3.28Å; V781-K783 PolarHBondContact O-N 2.84Å; V781-K783 VanDerWaalsContact O-N 3.07Å; V781-F784 WeakPolarHBondContact O-CD1 3.19Å; V781-F784 PolarHBondContact O-N 3.31Å |
| 782 | L | 93.6 | Very high | 94.5 | Very high | 40 Ų | 40 | 55.9 Ų | 55.9 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -58.2 | -26.5 | -179.6 | -60.8 | -177 | 0 | 0 | 0 | 113.2 | C774 E775 P779 D780 F784 V785 F892 L896 | C774-L782 HydrophobicContact CB-CD2 3.64Å; C774-L782 HydrophobicContact CB-CG 4.45Å; E775-L782 HydrophobicContact CB-CD1 4.36Å; E775-L782 HydrophobicContact CG-CD1 4.25Å; P779-L782 PolarHBondContact O-N 3.34Å; D780-L782 VanDerWaalsContact C-N 3.33Å; L782-F784 PolarHBondContact O-N 3.12Å; L782-V785 PolarHBondContact O-N 3.3Å; L782-V785 VanDerWaalsContact O-N 3.14Å; L782-F892 HydrophobicContact CD2-CE1 3.89Å; L782-F892 HydrophobicContact CD2-CZ 4.3Å; L782-L896 HydrophobicContact CD2-CD1 4.19Å; L782-L896 HydrophobicContact CD2-CD2 3.96Å |
| 783 | K | 94.4 | Very high | 94.4 | Very high | 116 Ų | 116 | 59 Ų | 59 | 50% | 0.504 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -59.7 | -17.1 | 179.5 | -62.2 | -177.2 | 178.1 | -173.2 | 0 | 114 | A719 D780 V781 V785 D786 E787 | A719-K783 HydrophobicContact CB-CB 4.08Å; D780-K783 WeakPolarHBondContact O-CB 3.32Å; D780-K783 WeakPolarHBondContact O-CG 3.47Å; D780-K783 PolarHBondContact O-N 3.4Å; V781-K783 PolarHBondContact O-N 2.84Å; V781-K783 VanDerWaalsContact O-N 3.07Å; K783-V785 PolarHBondContact O-N 2.89Å; K783-V785 VanDerWaalsContact O-N 3.12Å; K783-D786 PolarHBondContact O-N 2.98Å; K783-E787 HydrophobicContact CB-CG 4.48Å; K783-E787 WeakPolarHBondContact O-CG 3.29Å; K783-E787 PolarHBondContact O-N 3.32Å |
| 784 | F | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.3 | -23.2 | 174.9 | 97.3 | -81.4 | 0 | 0 | 0 | 112.8 | A719 F720 L723 V781 L782 D786 L788 F888 F892 | A719-F784 HydrophobicContact CB-CB 3.8Å; F720-F784 HydrophobicContact CB-CB 4.07Å; F720-F784 AromaticContact CD2-CD2 3.79Å; F720-F784 HydrophobicContact CD2-CD2 3.79Å; F720-F784 HydrophobicContact CD2-CE2 4.33Å; F720-F784 HydrophobicContact CD2-CG 4.5Å; L723-F784 HydrophobicContact CD2-CD1 3.75Å; L723-F784 HydrophobicContact CD2-CD2 4.17Å; L723-F784 HydrophobicContact CD2-CE1 3.43Å; L723-F784 VanDerWaalsContact CD2-CE1 3.43Å; L723-F784 HydrophobicContact CD2-CE2 3.9Å; L723-F784 HydrophobicContact CD2-CG 4.1Å; L723-F784 HydrophobicContact CD2-CZ 3.51Å; V781-F784 WeakPolarHBondContact O-CD1 3.19Å; V781-F784 PolarHBondContact O-N 3.31Å; L782-F784 PolarHBondContact O-N 3.12Å; F784-D786 VanDerWaalsContact C-N 3.3Å; F784-L788 HydrophobicContact CD2-CD1 3.95Å; F784-L788 WeakPolarHBondContact O-CB 3.26Å; F784-L788 VanDerWaalsContact O-CG 3.24Å; F784-L788 WeakPolarHBondContact O-CG 3.42Å; F784-L788 PolarHBondContact O-N 3.49Å; F784-F888 HydrophobicContact CE2-CD1 4.13Å; F784-F888 AromaticContact CE2-CE1 3.8Å; F784-F888 HydrophobicContact CE2-CE1 3.8Å; F784-F888 HydrophobicContact CZ-CD1 4.45Å; F784-F888 AromaticContact CZ-CE1 3.87Å; F784-F888 HydrophobicContact CZ-CE1 3.87Å; F784-F888 HydrophobicContact CZ-CZ 4.47Å; F784-F892 AromaticContact CE1-CD1 3.58Å; F784-F892 HydrophobicContact CE1-CD1 3.58Å; F784-F892 HydrophobicContact CE1-CD2 4.21Å; F784-F892 AromaticContact CE1-CE1 3.72Å; F784-F892 HydrophobicContact CE1-CE1 3.72Å; F784-F892 HydrophobicContact CE1-CE2 4.34Å; F784-F892 AromaticContact CE1-CG 3.85Å; F784-F892 HydrophobicContact CE1-CG 3.85Å; F784-F892 HydrophobicContact CE1-CZ 4.09Å; F784-F892 HydrophobicContact CZ-CB 3.95Å; F784-F892 AromaticContact CZ-CD1 3.91Å; F784-F892 HydrophobicContact CZ-CD1 3.91Å; F784-F892 HydrophobicContact CZ-CD2 4.15Å; F784-F892 HydrophobicContact CZ-CE1 4.45Å; F784-F892 AromaticContact CZ-CG 3.74Å; F784-F892 HydrophobicContact CZ-CG 3.74Å |
| 785 | V | 94.6 | Very high | 94.6 | Very high | 22 Ų | 22 | 58.9 Ų | 58.9 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.5 | -31.7 | 174.3 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | L782 K783 R889 F892 T893 | L782-V785 PolarHBondContact O-N 3.3Å; L782-V785 VanDerWaalsContact O-N 3.14Å; K783-V785 PolarHBondContact O-N 2.89Å; K783-V785 VanDerWaalsContact O-N 3.12Å; V785-R889 HydrophobicContact CG1-CG 4.37Å; V785-R889 VanDerWaalsContact O-CZ 3.23Å; V785-R889 PolarHBondContact O-NE 3.42Å; V785-R889 PolarHBondContact O-NH2 3.43Å; V785-F892 HydrophobicContact CG2-CD1 4.45Å; V785-T893 WeakPolarHBondContact CG1-OG1 3.45Å |
| 786 | D | 93.8 | Very high | 94.6 | Very high | 125 Ų | 125 | 65.3 Ų | 65.3 | 67% | 0.668 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -93.8 | -34.9 | -179.9 | -52.4 | -46.1 | 0 | 0 | 0 | 111.8 | K783 F784 L788 | K783-D786 PolarHBondContact O-N 2.98Å; F784-D786 VanDerWaalsContact C-N 3.3Å; D786-L788 PolarHBondContact O-N 3.02Å |
| 787 | E | 95.3 | Very high | 94.7 | Very high | 72 Ų | 72 | 59.7 Ų | 59.7 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.3 | -10.9 | 177.7 | -70.2 | 175.9 | -167 | 0 | 0 | 114 | E713 S717 A719 K783 | E713-E787 WeakPolarHBondContact CB-O 3.4Å; E713-E787 WeakPolarHBondContact CG-O 3.39Å; S717-E787 VanDerWaalsContact CA-OE2 3.24Å; S717-E787 WeakPolarHBondContact CA-OE2 3.13Å; S717-E787 VanDerWaalsContact CB-OE2 3.23Å; S717-E787 WeakPolarHBondContact CB-OE2 3.44Å; S717-E787 PolarHBondContact OG-OE2 2.9Å; A719-E787 WeakPolarHBondContact CB-OE2 3.26Å; K783-E787 HydrophobicContact CB-CG 4.48Å; K783-E787 WeakPolarHBondContact O-CG 3.29Å; K783-E787 PolarHBondContact O-N 3.32Å |
| 788 | L | 95.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 51.4 | -177.3 | -58.5 | -172.3 | 0 | 0 | 0 | 112.3 | E713 V714 F720 F784 D786 V791 R889 | E713-L788 HydrophobicContact CB-CD2 3.92Å; V714-L788 HydrophobicContact CB-CD2 4.26Å; V714-L788 HydrophobicContact CG2-CD1 4.39Å; V714-L788 HydrophobicContact CG2-CD2 3.71Å; F720-L788 HydrophobicContact CD2-CD1 4.21Å; F720-L788 HydrophobicContact CG-CD1 4.29Å; F784-L788 HydrophobicContact CD2-CD1 3.95Å; F784-L788 WeakPolarHBondContact O-CB 3.26Å; F784-L788 VanDerWaalsContact O-CG 3.24Å; F784-L788 WeakPolarHBondContact O-CG 3.42Å; F784-L788 PolarHBondContact O-N 3.49Å; D786-L788 PolarHBondContact O-N 3.02Å; L788-V791 HydrophobicContact CB-CG2 3.97Å; L788-R889 PolarHBondContact O-NE 3.19Å |
| 789 | E | 93.3 | Very high | 94.7 | Very high | 96 Ų | 96 | 52.9 Ų | 52.9 | 45% | 0.449 | 26% | 0.258 | S | S | . | . | trans | -68.8 | -42.4 | -174.4 | -156.7 | -150.4 | 133.3 | 0 | 0 | 113.4 | E713 V791 R793 | E713-E789 PolarHBondContact OE2-N 3.03Å; E789-V791 VanDerWaalsContact C-N 3.3Å; E789-V791 PolarHBondContact O-N 3.11Å; E789-R793 IonicContact OE1-CZ 3Å; E789-R793 IonicContact OE1-NH2 3.52Å; E789-R793 PolarHBondContact OE1-NH2 3.22Å | ||
| 790 | H | 96.4 | Very high | 94.6 | Very high | 41 Ų | 41 | 54.7 Ų | 54.7 | 19% | 0.19 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -11.8 | -170.6 | -71.6 | 81.4 | 0 | 0 | 0 | 113.6 | A709 A710 E713 D792 R793 A794 | A709-H790 HydrophobicContact CB-CB 3.83Å; A710-H790 HydrophobicContact CB-CB 4.23Å; E713-H790 IonicContact OE1-CE1 3.11Å; E713-H790 IonicContact OE1-CG 2.66Å; E713-H790 PolarHBondContact OE1-N 3.26Å; E713-H790 IonicContact OE1-ND1 3.59Å; E713-H790 PolarHBondContact OE1-ND1 3.23Å; E713-H790 PolarHBondContact OE2-N 3.31Å; H790-D792 VanDerWaalsContact C-N 3.28Å; H790-D792 PolarHBondContact O-N 3.47Å; H790-R793 PolarHBondContact CD2-NH1 2.82Å; H790-R793 PolarHBondContact NE2-NH1 3.44Å; H790-R793 WeakPolarHBondContact O-CB 3.31Å; H790-R793 PolarHBondContact O-N 3.22Å; H790-A794 PolarHBondContact O-N 3.46Å |
| 791 | V | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.1 | -39.5 | 177.3 | 172.5 | 0 | 0 | 0 | 0 | 112.6 | A710 V714 L788 E789 R793 A794 S795 F882 L885 | A710-V791 HydrophobicContact CB-CG2 4.14Å; V714-V791 HydrophobicContact CG2-CG2 3.75Å; L788-V791 HydrophobicContact CB-CG2 3.97Å; E789-V791 VanDerWaalsContact C-N 3.3Å; E789-V791 PolarHBondContact O-N 3.11Å; V791-R793 PolarHBondContact O-N 3.42Å; V791-A794 PolarHBondContact O-N 2.98Å; V791-S795 WeakPolarHBondContact O-CB 3.41Å; V791-S795 PolarHBondContact O-N 3.01Å; V791-S795 PolarHBondContact O-OG 2.73Å; V791-F882 HydrophobicContact CB-CD1 4.5Å; V791-F882 HydrophobicContact CG1-CB 4.46Å; V791-F882 HydrophobicContact CG1-CD1 4.2Å; V791-F882 HydrophobicContact CG2-CD1 4.13Å; V791-F882 HydrophobicContact CG2-CE1 4.46Å; V791-L885 HydrophobicContact CG1-CB 3.78Å |
| 792 | D | 94.8 | Very high | 94.6 | Very high | 46 Ų | 46 | 56 Ų | 56 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.3 | -14.7 | 179.4 | -69.3 | -6.4 | 0 | 0 | 0 | 114.3 | H790 S795 R796 S886 R889 | H790-D792 VanDerWaalsContact C-N 3.28Å; H790-D792 PolarHBondContact O-N 3.47Å; D792-S795 PolarHBondContact O-OG 3.48Å; D792-R796 PolarHBondContact O-NE 3.21Å; D792-S886 WeakPolarHBondContact OD1-CB 3.29Å; D792-S886 PolarHBondContact OD1-OG 3.37Å; D792-R889 IonicContact OD1-NH1 2.72Å; D792-R889 PolarHBondContact OD1-NH1 3.07Å; D792-R889 IonicContact OD2-CZ 3.11Å; D792-R889 IonicContact OD2-NH1 2.65Å; D792-R889 PolarHBondContact OD2-NH1 2.67Å |
| 793 | R | 95.1 | Very high | 94.6 | Very high | 124 Ų | 124 | 57.1 Ų | 57.1 | 47% | 0.468 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -95.2 | -48.4 | 174.5 | -52.3 | -175.9 | -160.4 | 160.7 | 7.4 | 109.3 | A706 E789 H790 V791 S795 R796 | A706-R793 HydrophobicContact CB-CB 3.97Å; E789-R793 IonicContact OE1-CZ 3Å; E789-R793 IonicContact OE1-NH2 3.52Å; E789-R793 PolarHBondContact OE1-NH2 3.22Å; H790-R793 PolarHBondContact CD2-NH1 2.82Å; H790-R793 PolarHBondContact NE2-NH1 3.44Å; H790-R793 WeakPolarHBondContact O-CB 3.31Å; H790-R793 PolarHBondContact O-N 3.22Å; V791-R793 PolarHBondContact O-N 3.42Å; R793-S795 VanDerWaalsContact C-N 3.26Å; R793-S795 PolarHBondContact O-N 3.38Å; R793-R796 WeakPolarHBondContact O-CB 3.26Å; R793-R796 PolarHBondContact O-N 3.41Å |
| 794 | A | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.5 | -34.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V707 A710 H790 V791 R796 V797 F882 | V707-A794 HydrophobicContact CG2-CB 4.09Å; A710-A794 HydrophobicContact CB-CB 3.6Å; H790-A794 PolarHBondContact O-N 3.46Å; V791-A794 PolarHBondContact O-N 2.98Å; A794-R796 PolarHBondContact O-N 2.92Å; A794-R796 VanDerWaalsContact O-N 3.1Å; A794-V797 PolarHBondContact O-N 3.09Å; A794-V797 VanDerWaalsContact O-N 3.15Å; A794-F882 HydrophobicContact CB-CB 4.06Å; A794-F882 HydrophobicContact CB-CD1 4.33Å; A794-F882 HydrophobicContact CB-CD2 3.74Å; A794-F882 HydrophobicContact CB-CE2 4.28Å; A794-F882 HydrophobicContact CB-CG 3.77Å |
| 795 | S | 96.6 | Very high | 94.5 | Very high | 18 Ų | 18 | 58 Ų | 58 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.1 | 174.3 | 62.5 | 0 | 0 | 0 | 0 | 114.9 | V791 D792 R793 F882 T883 | V791-S795 WeakPolarHBondContact O-CB 3.41Å; V791-S795 PolarHBondContact O-N 3.01Å; V791-S795 PolarHBondContact O-OG 2.73Å; D792-S795 PolarHBondContact O-OG 3.48Å; R793-S795 VanDerWaalsContact C-N 3.26Å; R793-S795 PolarHBondContact O-N 3.38Å; S795-F882 VanDerWaalsContact CB-C 3.5Å; S795-T883 PolarHBondContact O-OG1 3.12Å |
| 796 | R | 95 | Very high | 94.5 | Very high | 205 Ų | 205 | 57.4 Ų | 57.4 | 77% | 0.774 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -10.6 | -179.7 | -49.5 | 179.4 | -167.8 | -131.2 | -4.6 | 113 | D792 R793 A794 | D792-R796 PolarHBondContact O-NE 3.21Å; R793-R796 WeakPolarHBondContact O-CB 3.26Å; R793-R796 PolarHBondContact O-N 3.41Å; A794-R796 PolarHBondContact O-N 2.92Å; A794-R796 VanDerWaalsContact O-N 3.1Å |
| 797 | V | 95.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | trans | -84 | 113.9 | -176.2 | 175.4 | 0 | 0 | 0 | 0 | 109.5 | D703 V707 A794 A799 L802 | D703-V797 HydrophobicContact CB-CB 4.44Å; D703-V797 HydrophobicContact CB-CG1 3.8Å; D703-V797 HydrophobicContact CB-CG2 3.77Å; V707-V797 HydrophobicContact CG2-CB 3.79Å; V707-V797 HydrophobicContact CG2-CG1 3.72Å; V707-V797 HydrophobicContact CG2-CG2 4.1Å; A794-V797 PolarHBondContact O-N 3.09Å; A794-V797 VanDerWaalsContact O-N 3.15Å; V797-A799 PolarHBondContact O-N 2.7Å; V797-L802 HydrophobicContact CG1-CD1 3.47Å; V797-L802 VanDerWaalsContact CG1-CD1 3.47Å; V797-L802 HydrophobicContact CG1-CG 4.06Å | ||
| 798 | S | 94.4 | Very high | 94.5 | Very high | 36 Ų | 36 | 59.2 Ų | 59.2 | 25% | 0.252 | 28% | 0.276 | S | S | . | . | trans | -83.8 | 105.2 | 174.7 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | E800 N801 L802 | S798-E800 VanDerWaalsContact C-N 3.27Å; S798-E800 PolarHBondContact O-N 3.37Å; S798-N801 PolarHBondContact O-N 2.69Å; S798-N801 PolarHBondContact OG-ND2 2.91Å; S798-L802 PolarHBondContact O-N 3.45Å; S798-L802 VanDerWaalsContact O-N 3.12Å | ||
| 799 | A | 91.5 | Very high | 94.4 | Very high | 24 Ų | 24 | 59.1 Ų | 59.1 | 20% | 0.198 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.6 | -38.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V797 N801 L802 E803 V878 E879 | V797-A799 PolarHBondContact O-N 2.7Å; A799-N801 VanDerWaalsContact C-N 3.27Å; A799-N801 PolarHBondContact O-N 3.47Å; A799-L802 PolarHBondContact O-N 3.29Å; A799-E803 PolarHBondContact O-N 3.47Å; A799-V878 HydrophobicContact CB-CB 4.05Å; A799-V878 HydrophobicContact CB-CG2 3.83Å; A799-E879 PolarHBondContact N-OE2 2.61Å |
| 800 | E | 91.8 | Very high | 94.5 | Very high | 113 Ų | 113 | 58.1 Ų | 58.1 | 53% | 0.528 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -34.1 | 177.3 | -154.7 | -148.6 | 167.6 | 0 | 0 | 112.4 | S798 K804 | S798-E800 VanDerWaalsContact C-N 3.27Å; S798-E800 PolarHBondContact O-N 3.37Å; E800-K804 WeakPolarHBondContact O-CB 3.07Å; E800-K804 WeakPolarHBondContact O-CD 3.46Å; E800-K804 WeakPolarHBondContact O-CG 3.36Å; E800-K804 PolarHBondContact O-N 3.08Å; E800-K804 VanDerWaalsContact O-N 3.11Å; E800-K804 WeakPolarHBondContact OE1-CE 3.22Å; E800-K804 IonicContact OE1-NZ 3.55Å; E800-K804 PolarHBondContact OE1-NZ 3.28Å; E800-K804 IonicContact OE2-NZ 3.47Å; E800-K804 PolarHBondContact OE2-NZ 3.42Å |
| 801 | N | 93.3 | Very high | 94.5 | Very high | 83 Ų | 83 | 63.5 Ų | 63.5 | 44% | 0.444 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -81.5 | -32.2 | 179 | -70.9 | -28.3 | 0 | 0 | 0 | 112.7 | S798 A799 K804 S805 | S798-N801 PolarHBondContact O-N 2.69Å; S798-N801 PolarHBondContact OG-ND2 2.91Å; A799-N801 VanDerWaalsContact C-N 3.27Å; A799-N801 PolarHBondContact O-N 3.47Å; N801-K804 PolarHBondContact OD1-NZ 2.9Å; N801-S805 WeakPolarHBondContact O-CB 3.47Å; N801-S805 PolarHBondContact O-N 3.28Å; N801-S805 VanDerWaalsContact O-N 3.1Å; N801-S805 PolarHBondContact O-OG 3.42Å |
| 802 | L | 93.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.2 | -50.6 | 168.2 | -67.9 | -176.7 | 0 | 0 | 0 | 110.4 | L700 D703 I704 V797 S798 A799 K804 S805 L806 M858 | L700-L802 HydrophobicContact CD2-CD2 3.54Å; D703-L802 HydrophobicContact CB-CD1 4.23Å; D703-L802 HydrophobicContact CB-CD2 3.79Å; I704-L802 HydrophobicContact CG1-CD1 3.88Å; V797-L802 HydrophobicContact CG1-CD1 3.47Å; V797-L802 VanDerWaalsContact CG1-CD1 3.47Å; V797-L802 HydrophobicContact CG1-CG 4.06Å; S798-L802 PolarHBondContact O-N 3.45Å; S798-L802 VanDerWaalsContact O-N 3.12Å; A799-L802 PolarHBondContact O-N 3.29Å; L802-K804 PolarHBondContact O-N 3.45Å; L802-S805 PolarHBondContact O-N 3.21Å; L802-S805 VanDerWaalsContact O-N 3.14Å; L802-L806 PolarHBondContact O-N 2.89Å; L802-M858 HydrophobicContact CD1-CE 4.22Å; L802-M858 HydrophobicContact CD1-SD 4.15Å |
| 803 | E | 93.1 | Very high | 94.4 | Very high | 64 Ų | 64 | 63.4 Ų | 63.4 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | -177.6 | -161.9 | -158.5 | -172.3 | 0 | 0 | 111.7 | A799 S805 L806 R807 | A799-E803 PolarHBondContact O-N 3.47Å; E803-S805 VanDerWaalsContact C-N 3.27Å; E803-S805 PolarHBondContact O-N 2.93Å; E803-L806 PolarHBondContact O-N 3.11Å; E803-R807 VanDerWaalsContact CD-NE 3.26Å; E803-R807 HydrophobicContact CG-CG 4.48Å; E803-R807 VanDerWaalsContact O-CB 3.29Å; E803-R807 WeakPolarHBondContact O-CB 3.44Å; E803-R807 VanDerWaalsContact O-CG 3.24Å; E803-R807 WeakPolarHBondContact O-CG 3.41Å; E803-R807 PolarHBondContact O-N 2.66Å; E803-R807 IonicContact OE1-CZ 2.91Å; E803-R807 IonicContact OE1-NE 3.36Å; E803-R807 PolarHBondContact OE1-NE 3.06Å; E803-R807 IonicContact OE1-NH2 3.72Å; E803-R807 PolarHBondContact OE1-NH2 3.28Å; E803-R807 IonicContact OE2-NE 2.63Å |
| 804 | K | 94.4 | Very high | 94.3 | Very high | 88 Ų | 88 | 61 Ų | 61 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55.4 | -41.6 | 173.9 | -75.8 | 165 | -169.9 | 163.2 | 0 | 112.4 | E800 N801 L802 Q808 | E800-K804 WeakPolarHBondContact O-CB 3.07Å; E800-K804 WeakPolarHBondContact O-CD 3.46Å; E800-K804 WeakPolarHBondContact O-CG 3.36Å; E800-K804 PolarHBondContact O-N 3.08Å; E800-K804 VanDerWaalsContact O-N 3.11Å; E800-K804 WeakPolarHBondContact OE1-CE 3.22Å; E800-K804 IonicContact OE1-NZ 3.55Å; E800-K804 PolarHBondContact OE1-NZ 3.28Å; E800-K804 IonicContact OE2-NZ 3.47Å; E800-K804 PolarHBondContact OE2-NZ 3.42Å; N801-K804 PolarHBondContact OD1-NZ 2.9Å; L802-K804 PolarHBondContact O-N 3.45Å; K804-Q808 WeakPolarHBondContact O-CB 3.34Å; K804-Q808 PolarHBondContact O-N 3.32Å |
| 805 | S | 93.8 | Very high | 94.1 | Very high | 49 Ų | 49 | 64.4 Ų | 64.4 | 34% | 0.343 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73 | -43.3 | -176.3 | -57.7 | 0 | 0 | 0 | 0 | 112 | N801 L802 E803 Q808 M809 | N801-S805 WeakPolarHBondContact O-CB 3.47Å; N801-S805 PolarHBondContact O-N 3.28Å; N801-S805 VanDerWaalsContact O-N 3.1Å; N801-S805 PolarHBondContact O-OG 3.42Å; L802-S805 PolarHBondContact O-N 3.21Å; L802-S805 VanDerWaalsContact O-N 3.14Å; E803-S805 VanDerWaalsContact C-N 3.27Å; E803-S805 PolarHBondContact O-N 2.93Å; S805-Q808 WeakPolarHBondContact O-CB 3.46Å; S805-Q808 PolarHBondContact O-N 2.86Å; S805-Q808 VanDerWaalsContact O-N 3.16Å; S805-M809 PolarHBondContact O-N 2.89Å |
| 806 | L | 94.6 | Very high | 94 | Very high | 9 Ų | 9 | 63.6 Ų | 63.6 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 173.1 | -70.4 | 171.1 | 0 | 0 | 0 | 111.2 | L700 I704 L802 E803 Q808 M809 E810 Y848 L851 H855 | L700-L806 HydrophobicContact CD1-CD2 3.97Å; L700-L806 HydrophobicContact CD1-CG 4.28Å; I704-L806 HydrophobicContact CD1-CD1 4.25Å; L802-L806 PolarHBondContact O-N 2.89Å; E803-L806 PolarHBondContact O-N 3.11Å; L806-Q808 PolarHBondContact O-N 3.28Å; L806-M809 PolarHBondContact O-N 2.82Å; L806-M809 VanDerWaalsContact O-N 3.16Å; L806-E810 WeakPolarHBondContact O-CB 3.49Å; L806-E810 PolarHBondContact O-N 3.43Å; L806-Y848 HydrophobicContact CB-CE2 4.44Å; L806-Y848 HydrophobicContact CD2-CE2 4.28Å; L806-L851 HydrophobicContact CD2-CB 3.94Å; L806-L851 HydrophobicContact CD2-CD1 4.36Å; L806-H855 HydrophobicContact CD1-CB 3.64Å; L806-H855 WeakPolarHBondContact CD1-CD2 3.4Å |
| 807 | R | 94.6 | Very high | 93.8 | Very high | 138 Ų | 138 | 56.4 Ų | 56.4 | 52% | 0.521 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.8 | -27.4 | 173.7 | -71.3 | 170.2 | 173.6 | -117.9 | 13.5 | 112.4 | E803 R811 | E803-R807 VanDerWaalsContact CD-NE 3.26Å; E803-R807 HydrophobicContact CG-CG 4.48Å; E803-R807 VanDerWaalsContact O-CB 3.29Å; E803-R807 WeakPolarHBondContact O-CB 3.44Å; E803-R807 VanDerWaalsContact O-CG 3.24Å; E803-R807 WeakPolarHBondContact O-CG 3.41Å; E803-R807 PolarHBondContact O-N 2.66Å; E803-R807 IonicContact OE1-CZ 2.91Å; E803-R807 IonicContact OE1-NE 3.36Å; E803-R807 PolarHBondContact OE1-NE 3.06Å; E803-R807 IonicContact OE1-NH2 3.72Å; E803-R807 PolarHBondContact OE1-NH2 3.28Å; E803-R807 IonicContact OE2-NE 2.63Å; R807-R811 WeakPolarHBondContact O-CG 3.31Å; R807-R811 PolarHBondContact O-N 2.81Å; R807-R811 PolarHBondContact O-NE 3.49Å; R807-R811 PolarHBondContact O-NH2 3.3Å |
| 808 | Q | 94.1 | Very high | 93.6 | Very high | 96 Ų | 96 | 62 Ų | 62 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -74.4 | -49.6 | 173 | 179.1 | 176.2 | -47 | 0 | 0 | 111.5 | K804 S805 L806 E810 R811 Q812 | K804-Q808 WeakPolarHBondContact O-CB 3.34Å; K804-Q808 PolarHBondContact O-N 3.32Å; S805-Q808 WeakPolarHBondContact O-CB 3.46Å; S805-Q808 PolarHBondContact O-N 2.86Å; S805-Q808 VanDerWaalsContact O-N 3.16Å; L806-Q808 PolarHBondContact O-N 3.28Å; Q808-E810 VanDerWaalsContact C-N 3.3Å; Q808-E810 PolarHBondContact O-N 2.94Å; Q808-R811 PolarHBondContact O-N 3.11Å; Q808-R811 VanDerWaalsContact O-N 3.15Å; Q808-Q812 WeakPolarHBondContact O-CG 3.33Å; Q808-Q812 PolarHBondContact O-N 3.15Å |
| 809 | M | 94.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.5 | -44.4 | 176.8 | -174.7 | -176.6 | -71.8 | 0 | 0 | 111.6 | F689 F693 H696 V697 L700 S805 L806 R811 Q812 L813 Y848 L851 | F689-M809 HydrophobicContact CE2-CG 4.21Å; F689-M809 HydrophobicContact CZ-CG 4.18Å; F693-M809 HydrophobicContact CD2-CE 4.36Å; F693-M809 HydrophobicContact CD2-CG 4.3Å; F693-M809 HydrophobicContact CD2-SD 4.29Å; F693-M809 HydrophobicContact CE2-CE 4.14Å; F693-M809 HydrophobicContact CE2-CG 3.87Å; F693-M809 HydrophobicContact CE2-SD 3.57Å; F693-M809 VanDerWaalsContact CE2-SD 3.57Å; F693-M809 HydrophobicContact CZ-SD 4.25Å; H696-M809 HydrophobicContact CB-CE 3.58Å; V697-M809 HydrophobicContact CG2-CE 4.06Å; L700-M809 HydrophobicContact CD1-CE 4.14Å; S805-M809 PolarHBondContact O-N 2.89Å; L806-M809 PolarHBondContact O-N 2.82Å; L806-M809 VanDerWaalsContact O-N 3.16Å; M809-R811 PolarHBondContact O-N 3.42Å; M809-Q812 PolarHBondContact O-N 3.2Å; M809-L813 HydrophobicContact CG-CD1 4.3Å; M809-L813 WeakPolarHBondContact O-CG 3.49Å; M809-L813 PolarHBondContact O-N 2.85Å; M809-Y848 HydrophobicContact CB-CD2 4.48Å; M809-Y848 HydrophobicContact CG-CD2 4.14Å; M809-Y848 HydrophobicContact SD-CD2 3.78Å; M809-Y848 HydrophobicContact SD-CG 4.44Å; M809-L851 HydrophobicContact CE-CD1 4.43Å; M809-L851 HydrophobicContact SD-CD1 4.37Å |
| 810 | E | 95.1 | Very high | 93.2 | Very high | 75 Ų | 75 | 60.9 Ų | 60.9 | 35% | 0.35 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.4 | -48.4 | 174.7 | -172.9 | 175.7 | -106.3 | 0 | 0 | 112.8 | L806 Q808 Q812 L813 L814 Y848 | L806-E810 WeakPolarHBondContact O-CB 3.49Å; L806-E810 PolarHBondContact O-N 3.43Å; Q808-E810 VanDerWaalsContact C-N 3.3Å; Q808-E810 PolarHBondContact O-N 2.94Å; E810-Q812 VanDerWaalsContact C-N 3.27Å; E810-Q812 PolarHBondContact O-N 3.1Å; E810-L813 PolarHBondContact O-N 3.47Å; E810-L814 HydrophobicContact CG-CD1 3.94Å; E810-L814 HydrophobicContact CG-CG 4.44Å; E810-L814 WeakPolarHBondContact O-CB 3.27Å; E810-L814 WeakPolarHBondContact O-CG 3.22Å; E810-L814 PolarHBondContact O-N 3.08Å; E810-Y848 HydrophobicContact CB-CE1 4.08Å; E810-Y848 HydrophobicContact CB-CE2 4.12Å; E810-Y848 WeakPolarHBondContact CB-OH 3.31Å; E810-Y848 HydrophobicContact CG-CE1 3.97Å; E810-Y848 PolarHBondContact OE1-OH 3.39Å |
| 811 | R | 95.4 | Very high | 92.8 | Very high | 155 Ų | 155 | 63.3 Ų | 63.3 | 59% | 0.585 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65 | -31.6 | 178.4 | -75.6 | 175.8 | -68.6 | 170.4 | 1.8 | 112.1 | R807 Q808 M809 Q815 | R807-R811 WeakPolarHBondContact O-CG 3.31Å; R807-R811 PolarHBondContact O-N 2.81Å; R807-R811 PolarHBondContact O-NE 3.49Å; R807-R811 PolarHBondContact O-NH2 3.3Å; Q808-R811 PolarHBondContact O-N 3.11Å; Q808-R811 VanDerWaalsContact O-N 3.15Å; M809-R811 PolarHBondContact O-N 3.42Å; R811-Q815 WeakPolarHBondContact O-CB 3.3Å; R811-Q815 PolarHBondContact O-N 3.04Å; R811-Q815 VanDerWaalsContact O-N 3.16Å |
| 812 | Q | 94.4 | Very high | 92.2 | Very high | 39 Ų | 39 | 63.2 Ų | 63.2 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.3 | -42 | 174.1 | -69.4 | 177.7 | -90.5 | 0 | 0 | 111.6 | F689 Q808 M809 E810 Q815 L816 | F689-Q812 HydrophobicContact CD1-CB 4.06Å; F689-Q812 HydrophobicContact CD2-CB 3.75Å; F689-Q812 HydrophobicContact CD2-CG 4.22Å; F689-Q812 VanDerWaalsContact CD2-NE2 3.33Å; F689-Q812 HydrophobicContact CE1-CB 4Å; F689-Q812 HydrophobicContact CE2-CB 3.68Å; F689-Q812 HydrophobicContact CE2-CG 4.42Å; F689-Q812 HydrophobicContact CG-CB 3.95Å; F689-Q812 HydrophobicContact CZ-CB 3.82Å; Q808-Q812 WeakPolarHBondContact O-CG 3.33Å; Q808-Q812 PolarHBondContact O-N 3.15Å; M809-Q812 PolarHBondContact O-N 3.2Å; E810-Q812 VanDerWaalsContact C-N 3.27Å; E810-Q812 PolarHBondContact O-N 3.1Å; Q812-Q815 PolarHBondContact O-N 2.88Å; Q812-L816 WeakPolarHBondContact O-CB 3.23Å; Q812-L816 PolarHBondContact O-N 3.4Å |
| 813 | L | 94.8 | Very high | 91.6 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -53.6 | 174.2 | -72.7 | 165.7 | 0 | 0 | 0 | 112.4 | F689 M809 E810 Q815 L816 E817 A844 Y848 | F689-L813 HydrophobicContact CE1-CD2 3.78Å; F689-L813 HydrophobicContact CE1-CG 3.99Å; F689-L813 HydrophobicContact CZ-CD2 4.01Å; F689-L813 HydrophobicContact CZ-CG 3.86Å; M809-L813 HydrophobicContact CG-CD1 4.3Å; M809-L813 WeakPolarHBondContact O-CG 3.49Å; M809-L813 PolarHBondContact O-N 2.85Å; E810-L813 PolarHBondContact O-N 3.47Å; L813-Q815 PolarHBondContact O-N 3.35Å; L813-Q815 VanDerWaalsContact O-N 3.13Å; L813-L816 WeakPolarHBondContact O-CA 3.36Å; L813-L816 WeakPolarHBondContact O-CB 3.42Å; L813-L816 PolarHBondContact O-N 3.3Å; L813-E817 WeakPolarHBondContact O-CG 3.27Å; L813-E817 PolarHBondContact O-N 3.49Å; L813-A844 HydrophobicContact CD2-CB 3.58Å; L813-Y848 VanDerWaalsContact CD1-CB 3.48Å; L813-Y848 HydrophobicContact CD1-CD1 3.9Å; L813-Y848 HydrophobicContact CD1-CD2 4.42Å; L813-Y848 HydrophobicContact CD1-CG 3.65Å |
| 814 | L | 93.8 | Very high | 90.3 | Very high | 74 Ų | 74 | 65.1 Ų | 65.1 | 39% | 0.387 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.7 | -27 | 178.5 | -67.8 | 172.8 | 0 | 0 | 0 | 112.3 | E810 R818 | E810-L814 HydrophobicContact CG-CD1 3.94Å; E810-L814 HydrophobicContact CG-CG 4.44Å; E810-L814 WeakPolarHBondContact O-CB 3.27Å; E810-L814 WeakPolarHBondContact O-CG 3.22Å; E810-L814 PolarHBondContact O-N 3.08Å; L814-R818 PolarHBondContact O-N 2.88Å; L814-R818 PolarHBondContact O-NE 3.35Å; L814-R818 PolarHBondContact O-NH2 3.3Å |
| 815 | Q | 93.1 | Very high | 88.7 | Confident | 72 Ų | 72 | 65.9 Ų | 65.9 | 34% | 0.336 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -79.4 | -39 | 174.4 | -175.4 | 58.1 | 43.9 | 0 | 0 | 111.9 | R811 Q812 L813 D819 | R811-Q815 WeakPolarHBondContact O-CB 3.3Å; R811-Q815 PolarHBondContact O-N 3.04Å; R811-Q815 VanDerWaalsContact O-N 3.16Å; Q812-Q815 PolarHBondContact O-N 2.88Å; L813-Q815 PolarHBondContact O-N 3.35Å; L813-Q815 VanDerWaalsContact O-N 3.13Å; Q815-D819 PolarHBondContact NE2-OD2 3.02Å; Q815-D819 WeakPolarHBondContact O-CB 3.38Å; Q815-D819 PolarHBondContact O-N 3.19Å |
| 816 | L | 93.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.1 | -47.4 | 172.7 | 173.2 | 60.9 | 0 | 0 | 0 | 111.1 | H686 Q812 L813 D819 L820 M837 F840 | H686-L816 HydrophobicContact CB-CD1 3.89Å; H686-L816 VanDerWaalsContact CE1-CA 3.44Å; H686-L816 WeakPolarHBondContact CE1-CA 3.48Å; H686-L816 PolarHBondContact CE1-N 3.34Å; Q812-L816 WeakPolarHBondContact O-CB 3.23Å; Q812-L816 PolarHBondContact O-N 3.4Å; L813-L816 WeakPolarHBondContact O-CA 3.36Å; L813-L816 WeakPolarHBondContact O-CB 3.42Å; L813-L816 PolarHBondContact O-N 3.3Å; L816-D819 PolarHBondContact O-N 3.38Å; L816-L820 HydrophobicContact CD1-CD1 3.88Å; L816-L820 HydrophobicContact CD1-CD2 4.5Å; L816-L820 HydrophobicContact CD1-CG 3.94Å; L816-L820 HydrophobicContact CG-CD1 3.91Å; L816-L820 HydrophobicContact CG-CG 4.38Å; L816-L820 WeakPolarHBondContact O-CB 3.24Å; L816-L820 VanDerWaalsContact O-CG 3.26Å; L816-L820 WeakPolarHBondContact O-CG 3.34Å; L816-L820 PolarHBondContact O-N 3.29Å; L816-M837 HydrophobicContact CD1-CB 4.3Å; L816-M837 HydrophobicContact CD1-SD 4.47Å; L816-F840 HydrophobicContact CD2-CD1 3.8Å; L816-F840 HydrophobicContact CD2-CE1 3.82Å |
| 817 | E | 91.1 | Very high | 85.6 | Confident | 54 Ų | 54 | 71.7 Ų | 71.7 | 25% | 0.252 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -55.9 | -55.7 | 177.2 | -69.9 | 159.9 | -153.1 | 0 | 0 | 111.9 | L813 D819 L820 E821 Q845 | L813-E817 WeakPolarHBondContact O-CG 3.27Å; L813-E817 PolarHBondContact O-N 3.49Å; E817-D819 VanDerWaalsContact C-N 3.28Å; E817-D819 PolarHBondContact O-N 2.98Å; E817-L820 WeakPolarHBondContact O-CB 3.28Å; E817-L820 PolarHBondContact O-N 3.37Å; E817-L820 VanDerWaalsContact O-N 3.11Å; E817-E821 PolarHBondContact O-N 2.85Å; E817-Q845 PolarHBondContact OE1-NE2 2.91Å |
| 818 | R | 90.9 | Very high | 84.5 | Confident | 122 Ų | 122 | 67.4 Ų | 67.4 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.4 | -29.9 | 179.2 | -74.2 | 178.1 | -78.5 | 109.1 | 0.9 | 113.2 | L814 T822 | L814-R818 PolarHBondContact O-N 2.88Å; L814-R818 PolarHBondContact O-NE 3.35Å; L814-R818 PolarHBondContact O-NH2 3.3Å; R818-T822 PolarHBondContact O-OG1 3.23Å |
| 819 | D | 89.1 | Confident | 83.4 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 6% | 0.059 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -72.2 | -41.8 | 171.6 | -86.9 | -50.3 | 0 | 0 | 0 | 111.7 | R679 H686 Q815 L816 E817 T822 F823 | R679-D819 IonicContact CZ-OD1 2.7Å; R679-D819 PolarHBondContact NH1-O 3.26Å; R679-D819 IonicContact NH1-OD1 3.07Å; R679-D819 IonicContact NH2-OD1 2.69Å; R679-D819 PolarHBondContact NH2-OD1 3.01Å; H686-D819 IonicContact CD2-OD2 3.82Å; H686-D819 IonicContact CE1-OD2 3.12Å; H686-D819 WeakPolarHBondContact NE2-CB 3.27Å; H686-D819 IonicContact NE2-OD2 2.74Å; H686-D819 PolarHBondContact NE2-OD2 3.17Å; Q815-D819 PolarHBondContact NE2-OD2 3.02Å; Q815-D819 WeakPolarHBondContact O-CB 3.38Å; Q815-D819 PolarHBondContact O-N 3.19Å; L816-D819 PolarHBondContact O-N 3.38Å; E817-D819 VanDerWaalsContact C-N 3.28Å; E817-D819 PolarHBondContact O-N 2.98Å; D819-T822 WeakPolarHBondContact CA-OG1 3.36Å; D819-T822 CarbonylContact O-C 3.36Å; D819-T822 WeakPolarHBondContact O-CA 3.5Å; D819-T822 PolarHBondContact O-N 3.3Å; D819-T822 PolarHBondContact O-OG1 3.13Å; D819-F823 HydrophobicContact CB-CD2 4.39Å; D819-F823 HydrophobicContact CB-CE2 4.13Å; D819-F823 WeakPolarHBondContact O-CD2 3.42Å; D819-F823 PolarHBondContact O-N 3.1Å |
| 820 | L | 87.9 | Confident | 82.6 | Confident | 25 Ų | 25 | 72.3 Ų | 72.3 | 13% | 0.131 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 177.3 | -74.9 | 170.7 | 0 | 0 | 0 | 112 | L816 E817 T822 F823 F833 L834 M837 A838 | L816-L820 HydrophobicContact CD1-CD1 3.88Å; L816-L820 HydrophobicContact CD1-CD2 4.5Å; L816-L820 HydrophobicContact CD1-CG 3.94Å; L816-L820 HydrophobicContact CG-CD1 3.91Å; L816-L820 HydrophobicContact CG-CG 4.38Å; L816-L820 WeakPolarHBondContact O-CB 3.24Å; L816-L820 VanDerWaalsContact O-CG 3.26Å; L816-L820 WeakPolarHBondContact O-CG 3.34Å; L816-L820 PolarHBondContact O-N 3.29Å; E817-L820 WeakPolarHBondContact O-CB 3.28Å; E817-L820 PolarHBondContact O-N 3.37Å; E817-L820 VanDerWaalsContact O-N 3.11Å; L820-T822 PolarHBondContact O-N 3.4Å; L820-F823 PolarHBondContact O-N 2.99Å; L820-F823 VanDerWaalsContact O-N 3.1Å; L820-F833 HydrophobicContact CD2-CE1 4.41Å; L820-L834 HydrophobicContact CD2-CD2 3.95Å; L820-M837 HydrophobicContact CD2-CB 3.88Å; L820-A838 HydrophobicContact CD1-CB 4.5Å |
| 821 | E | 83.8 | Confident | 82.2 | Confident | 164 Ų | 164 | 69.7 Ų | 69.7 | 77% | 0.766 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -56.9 | -29.4 | 172.3 | -69.9 | 179.1 | 155.2 | 0 | 0 | 113 | E817 | E817-E821 PolarHBondContact O-N 2.85Å |
| 822 | T | 81.6 | Confident | 81.9 | Confident | 82 Ų | 82 | 65.9 Ų | 65.9 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 4.2 | -179.1 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | R679 R818 D819 L820 | R679-T822 VanDerWaalsContact CZ-OG1 3.3Å; R679-T822 PolarHBondContact NH1-O 3.46Å; R679-T822 PolarHBondContact NH1-OG1 2.95Å; R679-T822 PolarHBondContact NH2-OG1 3.46Å; R818-T822 PolarHBondContact O-OG1 3.23Å; D819-T822 WeakPolarHBondContact CA-OG1 3.36Å; D819-T822 CarbonylContact O-C 3.36Å; D819-T822 WeakPolarHBondContact O-CA 3.5Å; D819-T822 PolarHBondContact O-N 3.3Å; D819-T822 PolarHBondContact O-OG1 3.13Å; L820-T822 PolarHBondContact O-N 3.4Å |
| 823 | F | 79.3 | Confident | 81.6 | Confident | 17 Ų | 17 | 64 Ų | 64 | 8% | 0.075 | 35% | 0.348 | C | S | . | . | trans | -91.8 | 101.1 | 166.7 | -85.6 | -72.1 | 0 | 0 | 0 | 109.6 | R679 P682 R683 D819 L820 F833 L834 | R679-F823 HydrophobicContact CB-CE1 3.69Å; R679-F823 HydrophobicContact CB-CZ 3.79Å; R679-F823 HydrophobicContact CG-CE1 4.23Å; R679-F823 VanDerWaalsContact NH1-CD2 3.34Å; P682-F823 HydrophobicContact CB-CE2 4.38Å; P682-F823 HydrophobicContact CB-CZ 4.22Å; R683-F823 HydrophobicContact CG-CE1 3.94Å; R683-F823 HydrophobicContact CG-CZ 3.67Å; D819-F823 HydrophobicContact CB-CD2 4.39Å; D819-F823 HydrophobicContact CB-CE2 4.13Å; D819-F823 WeakPolarHBondContact O-CD2 3.42Å; D819-F823 PolarHBondContact O-N 3.1Å; L820-F823 PolarHBondContact O-N 2.99Å; L820-F823 VanDerWaalsContact O-N 3.1Å; F823-F833 HydrophobicContact CD2-CD1 4.45Å; F823-F833 AromaticContact CD2-CE1 3.78Å; F823-F833 HydrophobicContact CD2-CE1 3.78Å; F823-F833 HydrophobicContact CE1-CE1 4.39Å; F823-F833 HydrophobicContact CE2-CD1 4.42Å; F823-F833 AromaticContact CE2-CE1 3.53Å; F823-F833 HydrophobicContact CE2-CE1 3.53Å; F823-F833 HydrophobicContact CE2-CZ 4.1Å; F823-F833 HydrophobicContact CG-CE1 4.37Å; F823-F833 AromaticContact CZ-CE1 3.88Å; F823-F833 HydrophobicContact CZ-CE1 3.88Å; F823-F833 HydrophobicContact CZ-CZ 4.35Å; F823-L834 HydrophobicContact CB-CD1 4.41Å; F823-L834 HydrophobicContact CB-CD2 3.66Å; F823-L834 HydrophobicContact CB-CG 4.11Å | ||
| 824 | S | 65.6 | Low | 81.3 | Confident | 92 Ų | 92 | 65.9 Ų | 65.9 | 64% | 0.643 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 150.5 | 170.5 | 46.6 | 0 | 0 | 0 | 0 | 111.8 | T826 | S824-T826 PolarHBondContact O-N 2.86Š|
| 825 | S | 61.6 | Low | 81 | Confident | 104 Ų | 104 | 66.6 Ų | 66.6 | 73% | 0.727 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 127.3 | 176.3 | 55 | 0 | 0 | 0 | 0 | 111.2 | ||
| 826 | T | 61.8 | Low | 80.9 | Confident | 37 Ų | 37 | 66.8 Ų | 66.8 | 23% | 0.227 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 147.7 | -172.2 | -1.7 | 0 | 0 | 0 | 0 | 112.7 | K678 S824 D828 D831 | K678-T826 HydrophobicContact CD-CG2 3.87Å; S824-T826 PolarHBondContact O-N 2.86Å; T826-D828 PolarHBondContact O-N 3.03Å; T826-D831 WeakPolarHBondContact CB-OD2 3.46Å; T826-D831 WeakPolarHBondContact CG2-OD2 3.44Å; T826-D831 VanDerWaalsContact OG1-CG 3.29Å; T826-D831 PolarHBondContact OG1-OD2 2.94Å |
| 827 | D | 60.4 | Low | 80.9 | Confident | 143 Ų | 143 | 66.8 Ų | 66.8 | 77% | 0.765 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -75.5 | 2.8 | 177.7 | -32.6 | -95.9 | 0 | 0 | 0 | 113.3 | K678 | K678-D827 IonicContact NZ-OD2 3.85Å; K678-D827 PolarHBondContact NZ-OD2 3.34Å |
| 828 | D | 71.6 | Confident | 80.8 | Confident | 47 Ų | 47 | 66.3 Ų | 66.3 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | trans | -104.7 | 108.2 | -178.2 | -172.9 | -19.8 | 0 | 0 | 0 | 108.5 | R622 T826 N830 D831 | R622-D828 IonicContact CZ-OD2 3.48Å; R622-D828 IonicContact NH1-OD2 2.69Å; R622-D828 PolarHBondContact NH1-OD2 2.94Å; R622-D828 IonicContact NH2-OD2 3.58Å; R622-D828 PolarHBondContact NH2-OD2 3.5Å; T826-D828 PolarHBondContact O-N 3.03Å; D828-N830 PolarHBondContact O-N 3.1Å; D828-N830 PolarHBondContact OD1-N 3.09Å; D828-D831 HydrophobicContact CB-CB 4.47Å; D828-D831 WeakPolarHBondContact O-CB 3.31Å; D828-D831 PolarHBondContact O-N 2.78Å; D828-D831 VanDerWaalsContact O-N 3.09Å | ||
| 829 | P | 72.2 | Confident | 80.9 | Confident | 123 Ų | 123 | 64 Ų | 64 | 80% | 0.799 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.7 | -174.9 | -25.8 | 35.6 | 0 | 0 | 0 | 115.3 | ||
| 830 | N | 77.1 | Confident | 81.2 | Confident | 78 Ų | 78 | 64.3 Ų | 64.3 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -3.6 | -179.4 | -68.6 | 37.7 | 0 | 0 | 0 | 112.9 | E627 D828 M832 | E627-N830 HydrophobicContact CG-CB 4.34Å; E627-N830 WeakPolarHBondContact CG-O 3.38Å; E627-N830 PolarHBondContact OE1-ND2 3.42Å; D828-N830 PolarHBondContact O-N 3.1Å; D828-N830 PolarHBondContact OD1-N 3.09Å; N830-M832 VanDerWaalsContact C-N 3.31Å; N830-M832 PolarHBondContact O-N 3.38Å |
| 831 | D | 87.5 | Confident | 81.4 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 11% | 0.107 | 37% | 0.37 | C | S | . | . | trans | -77.1 | 76 | -176.7 | -167.4 | -1.5 | 0 | 0 | 0 | 113.2 | V626 R683 T826 D828 F833 | V626-D831 HydrophobicContact CG1-CB 3.99Å; R683-D831 IonicContact CZ-OD1 3.66Å; R683-D831 IonicContact CZ-OD2 3.35Å; R683-D831 IonicContact NH1-OD1 3.74Å; R683-D831 PolarHBondContact NH1-OD1 3.09Å; R683-D831 IonicContact NH1-OD2 2.77Å; R683-D831 PolarHBondContact NH1-OD2 2.97Å; R683-D831 IonicContact NH2-OD1 2.74Å; R683-D831 IonicContact NH2-OD2 2.67Å; R683-D831 PolarHBondContact NH2-OD2 3.49Å; T826-D831 WeakPolarHBondContact CB-OD2 3.46Å; T826-D831 WeakPolarHBondContact CG2-OD2 3.44Å; T826-D831 VanDerWaalsContact OG1-CG 3.29Å; T826-D831 PolarHBondContact OG1-OD2 2.94Å; D828-D831 HydrophobicContact CB-CB 4.47Å; D828-D831 WeakPolarHBondContact O-CB 3.31Å; D828-D831 PolarHBondContact O-N 2.78Å; D828-D831 VanDerWaalsContact O-N 3.09Å; D831-F833 PolarHBondContact O-N 2.95Å; D831-F833 WeakPolarHBondContact OD1-CB 3.5Å; D831-F833 PolarHBondContact OD1-N 3.17Å | ||
| 832 | M | 87.9 | Confident | 81.9 | Confident | 76 Ų | 76 | 62.8 Ų | 62.8 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -1.1 | -179.3 | -64.6 | -62.6 | -70.2 | 0 | 0 | 113.8 | V626 N830 L834 T835 K836 | V626-M832 PolarHBondContact O-N 2.9Å; V626-M832 VanDerWaalsContact O-N 3.1Å; N830-M832 VanDerWaalsContact C-N 3.31Å; N830-M832 PolarHBondContact O-N 3.38Å; M832-L834 PolarHBondContact O-N 2.98Å; M832-T835 HydrophobicContact CE-CG2 4.17Å; M832-T835 PolarHBondContact O-N 3.21Å; M832-K836 HydrophobicContact CB-CD 4.47Å; M832-K836 PolarHBondContact O-N 3.35Å |
| 833 | F | 89.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -55.4 | -50.8 | -176.4 | 179.4 | -90.4 | 0 | 0 | 0 | 112.4 | V626 V628 R683 H686 I687 L820 F823 D831 T835 M837 | V626-F833 PolarHBondContact O-N 3.26Å; V628-F833 HydrophobicContact CG2-CB 4.13Å; V628-F833 HydrophobicContact CG2-CD2 3.84Å; V628-F833 HydrophobicContact CG2-CG 4.45Å; R683-F833 HydrophobicContact CB-CD2 4.19Å; R683-F833 HydrophobicContact CB-CE2 3.81Å; R683-F833 HydrophobicContact CB-CZ 4.24Å; R683-F833 HydrophobicContact CG-CD1 4.37Å; R683-F833 HydrophobicContact CG-CD2 3.99Å; R683-F833 HydrophobicContact CG-CE1 4.23Å; R683-F833 HydrophobicContact CG-CE2 3.83Å; R683-F833 HydrophobicContact CG-CG 4.27Å; R683-F833 HydrophobicContact CG-CZ 3.97Å; H686-F833 HydrophobicContact CB-CE2 4.37Å; H686-F833 HydrophobicContact CB-CZ 4.06Å; I687-F833 HydrophobicContact CD1-CD2 4.42Å; I687-F833 HydrophobicContact CD1-CE2 4.47Å; I687-F833 HydrophobicContact CG1-CD2 4.43Å; I687-F833 HydrophobicContact CG1-CE2 4.19Å; L820-F833 HydrophobicContact CD2-CE1 4.41Å; F823-F833 HydrophobicContact CD2-CD1 4.45Å; F823-F833 AromaticContact CD2-CE1 3.78Å; F823-F833 HydrophobicContact CD2-CE1 3.78Å; F823-F833 HydrophobicContact CE1-CE1 4.39Å; F823-F833 HydrophobicContact CE2-CD1 4.42Å; F823-F833 AromaticContact CE2-CE1 3.53Å; F823-F833 HydrophobicContact CE2-CE1 3.53Å; F823-F833 HydrophobicContact CE2-CZ 4.1Å; F823-F833 HydrophobicContact CG-CE1 4.37Å; F823-F833 AromaticContact CZ-CE1 3.88Å; F823-F833 HydrophobicContact CZ-CE1 3.88Å; F823-F833 HydrophobicContact CZ-CZ 4.35Å; D831-F833 PolarHBondContact O-N 2.95Å; D831-F833 WeakPolarHBondContact OD1-CB 3.5Å; D831-F833 PolarHBondContact OD1-N 3.17Å; F833-T835 VanDerWaalsContact C-N 3.34Å; F833-T835 PolarHBondContact O-N 3.37Å; F833-M837 HydrophobicContact CD1-CG 4.33Å; F833-M837 HydrophobicContact CD2-CG 3.87Å; F833-M837 HydrophobicContact CE1-CB 4.39Å; F833-M837 HydrophobicContact CE1-CG 4.11Å; F833-M837 HydrophobicContact CE2-CE 4.48Å; F833-M837 HydrophobicContact CE2-CG 3.63Å; F833-M837 HydrophobicContact CE2-SD 4.35Å; F833-M837 HydrophobicContact CG-CG 4.21Å; F833-M837 HydrophobicContact CZ-CB 4.43Å; F833-M837 HydrophobicContact CZ-CG 3.75Å; F833-M837 WeakPolarHBondContact O-CB 3.32Å; F833-M837 VanDerWaalsContact O-CG 3.29Å; F833-M837 WeakPolarHBondContact O-CG 3.4Å; F833-M837 PolarHBondContact O-N 3.1Å |
| 834 | L | 87.8 | Confident | 83.2 | Confident | 43 Ų | 43 | 61.6 Ų | 61.6 | 23% | 0.225 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.6 | -47.2 | 178.2 | -89.2 | 170 | 0 | 0 | 0 | 111.5 | L820 F823 M832 A838 | L820-L834 HydrophobicContact CD2-CD2 3.95Å; F823-L834 HydrophobicContact CB-CD1 4.41Å; F823-L834 HydrophobicContact CB-CD2 3.66Å; F823-L834 HydrophobicContact CB-CG 4.11Å; M832-L834 PolarHBondContact O-N 2.98Å; L834-A838 WeakPolarHBondContact O-CB 3.42Å; L834-A838 PolarHBondContact O-N 3.36Å |
| 835 | T | 88.1 | Confident | 84.6 | Confident | 89 Ų | 89 | 61 Ų | 61 | 55% | 0.546 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.5 | -50.7 | -178.2 | -51 | 0 | 0 | 0 | 0 | 112 | M832 F833 S839 | M832-T835 HydrophobicContact CE-CG2 4.17Å; M832-T835 PolarHBondContact O-N 3.21Å; F833-T835 VanDerWaalsContact C-N 3.34Å; F833-T835 PolarHBondContact O-N 3.37Å; T835-S839 WeakPolarHBondContact O-CB 3.46Å; T835-S839 PolarHBondContact O-N 3.07Å |
| 836 | K | 91.3 | Very high | 86.1 | Confident | 75 Ų | 75 | 61.3 Ų | 61.3 | 33% | 0.326 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.4 | -43.4 | -179.3 | -78.4 | 176.5 | 167.8 | 177.1 | 0 | 111.9 | E627 V628 M832 S839 F840 | E627-K836 WeakPolarHBondContact O-CD 3.44Å; E627-K836 PolarHBondContact O-NZ 2.92Å; V628-K836 HydrophobicContact CB-CD 3.8Å; V628-K836 HydrophobicContact CG1-CD 4.34Å; V628-K836 PolarHBondContact O-NZ 3.49Å; M832-K836 HydrophobicContact CB-CD 4.47Å; M832-K836 PolarHBondContact O-N 3.35Å; K836-S839 WeakPolarHBondContact O-CB 3.38Å; K836-S839 PolarHBondContact O-N 3.32Å; K836-F840 WeakPolarHBondContact O-CB 3.25Å; K836-F840 PolarHBondContact O-N 3.27Å |
| 837 | M | 92.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -73.6 | -33.7 | -177.2 | -68.9 | -72.3 | 148.2 | 0 | 0 | 113.2 | V628 H686 I687 R690 L816 L820 F833 S839 F840 S841 | V628-M837 HydrophobicContact CG1-CE 3.77Å; H686-M837 HydrophobicContact CB-SD 4.26Å; I687-M837 HydrophobicContact CG1-CE 3.9Å; R690-M837 HydrophobicContact CB-CE 3.73Å; R690-M837 HydrophobicContact CB-SD 4.31Å; R690-M837 HydrophobicContact CG-CE 3.91Å; L816-M837 HydrophobicContact CD1-CB 4.3Å; L816-M837 HydrophobicContact CD1-SD 4.47Å; L820-M837 HydrophobicContact CD2-CB 3.88Å; F833-M837 HydrophobicContact CD1-CG 4.33Å; F833-M837 HydrophobicContact CD2-CG 3.87Å; F833-M837 HydrophobicContact CE1-CB 4.39Å; F833-M837 HydrophobicContact CE1-CG 4.11Å; F833-M837 HydrophobicContact CE2-CE 4.48Å; F833-M837 HydrophobicContact CE2-CG 3.63Å; F833-M837 HydrophobicContact CE2-SD 4.35Å; F833-M837 HydrophobicContact CG-CG 4.21Å; F833-M837 HydrophobicContact CZ-CB 4.43Å; F833-M837 HydrophobicContact CZ-CG 3.75Å; F833-M837 WeakPolarHBondContact O-CB 3.32Å; F833-M837 VanDerWaalsContact O-CG 3.29Å; F833-M837 WeakPolarHBondContact O-CG 3.4Å; F833-M837 PolarHBondContact O-N 3.1Å; M837-S839 VanDerWaalsContact C-N 3.32Å; M837-F840 PolarHBondContact O-N 3.13Å; M837-F840 HydrophobicContact SD-CD1 4.1Å; M837-S841 VanDerWaalsContact O-CB 3.26Å; M837-S841 WeakPolarHBondContact O-CB 3.39Å; M837-S841 PolarHBondContact O-N 2.86Å |
| 838 | A | 90.6 | Very high | 89.4 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 36% | 0.355 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.8 | -28.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L820 L834 | L820-A838 HydrophobicContact CD1-CB 4.5Å; L834-A838 WeakPolarHBondContact O-CB 3.42Å; L834-A838 PolarHBondContact O-N 3.36Å |
| 839 | S | 91.9 | Very high | 90.5 | Very high | 75 Ų | 75 | 56.1 Ų | 56.1 | 52% | 0.524 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.9 | -52.1 | 169.7 | -178.3 | 0 | 0 | 0 | 0 | 111 | T835 K836 M837 S841 K842 V843 | T835-S839 WeakPolarHBondContact O-CB 3.46Å; T835-S839 PolarHBondContact O-N 3.07Å; K836-S839 WeakPolarHBondContact O-CB 3.38Å; K836-S839 PolarHBondContact O-N 3.32Å; M837-S839 VanDerWaalsContact C-N 3.32Å; S839-S841 PolarHBondContact O-N 3.13Å; S839-K842 PolarHBondContact O-N 3.38Å; S839-V843 PolarHBondContact O-N 2.6Å |
| 840 | F | 94.8 | Very high | 91.6 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 8% | 0.075 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.1 | -46.6 | 176.1 | 166.3 | -115.3 | 0 | 0 | 0 | 112.4 | F689 R690 F693 L816 K836 M837 K842 V843 A844 | F689-F840 AromaticContact CD1-CE1 3.79Å; F689-F840 HydrophobicContact CD1-CE1 3.79Å; F689-F840 HydrophobicContact CD1-CZ 4.03Å; F689-F840 AromaticContact CE1-CE1 3.92Å; F689-F840 HydrophobicContact CE1-CE1 3.92Å; F689-F840 AromaticContact CE1-CZ 3.93Å; F689-F840 HydrophobicContact CE1-CZ 3.93Å; R690-F840 HydrophobicContact CB-CD1 4.09Å; R690-F840 HydrophobicContact CB-CE1 3.95Å; R690-F840 HydrophobicContact CB-CG 4.46Å; R690-F840 HydrophobicContact CB-CZ 4.19Å; R690-F840 VanDerWaalsContact CD-CD2 3.4Å; F693-F840 HydrophobicContact CB-CE2 3.85Å; F693-F840 HydrophobicContact CB-CZ 3.8Å; F693-F840 AromaticContact CD1-CE2 3.92Å; F693-F840 HydrophobicContact CD1-CE2 3.92Å; F693-F840 HydrophobicContact CD1-CZ 4.44Å; F693-F840 HydrophobicContact CD2-CE2 4.46Å; F693-F840 HydrophobicContact CD2-CZ 4.2Å; F693-F840 AromaticContact CG-CE2 3.81Å; F693-F840 HydrophobicContact CG-CE2 3.81Å; F693-F840 AromaticContact CG-CZ 3.89Å; F693-F840 HydrophobicContact CG-CZ 3.89Å; L816-F840 HydrophobicContact CD2-CD1 3.8Å; L816-F840 HydrophobicContact CD2-CE1 3.82Å; K836-F840 WeakPolarHBondContact O-CB 3.25Å; K836-F840 PolarHBondContact O-N 3.27Å; M837-F840 PolarHBondContact O-N 3.13Å; M837-F840 HydrophobicContact SD-CD1 4.1Å; F840-K842 VanDerWaalsContact C-N 3.26Å; F840-K842 PolarHBondContact O-N 2.91Å; F840-V843 PolarHBondContact O-N 3.23Å; F840-V843 VanDerWaalsContact O-N 3.11Å; F840-A844 HydrophobicContact CD2-CB 4.1Å; F840-A844 HydrophobicContact CE1-CB 4.4Å; F840-A844 HydrophobicContact CE2-CB 3.66Å; F840-A844 HydrophobicContact CZ-CB 3.81Å; F840-A844 VanDerWaalsContact O-CB 3.26Å; F840-A844 WeakPolarHBondContact O-CB 3.45Å; F840-A844 PolarHBondContact O-N 3.42Å |
| 841 | S | 93.6 | Very high | 92.4 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -53.9 | -40.8 | -178.9 | -170.5 | 0 | 0 | 0 | 0 | 112.4 | M837 S839 Q845 | M837-S841 VanDerWaalsContact O-CB 3.26Å; M837-S841 WeakPolarHBondContact O-CB 3.39Å; M837-S841 PolarHBondContact O-N 2.86Å; S839-S841 PolarHBondContact O-N 3.13Å; S841-Q845 WeakPolarHBondContact O-CB 3.34Å; S841-Q845 WeakPolarHBondContact O-CG 3.47Å; S841-Q845 PolarHBondContact O-N 3.08Å |
| 842 | K | 93 | Very high | 92.8 | Very high | 149 Ų | 149 | 51.3 Ų | 51.3 | 65% | 0.648 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -67.8 | -45.9 | 178.1 | -68.4 | 177.7 | -179.7 | -177.4 | 0 | 112.3 | S839 F840 A844 E846 | S839-K842 PolarHBondContact O-N 3.38Å; F840-K842 VanDerWaalsContact C-N 3.26Å; F840-K842 PolarHBondContact O-N 2.91Å; K842-A844 VanDerWaalsContact C-N 3.33Å; K842-E846 PolarHBondContact O-N 3.18Å; K842-E846 VanDerWaalsContact O-N 3.1Å |
| 843 | V | 94.1 | Very high | 93.1 | Very high | 75 Ų | 75 | 52.5 Ų | 52.5 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 178 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | S839 F840 E846 Q847 | S839-V843 PolarHBondContact O-N 2.6Å; F840-V843 PolarHBondContact O-N 3.23Å; F840-V843 VanDerWaalsContact O-N 3.11Å; V843-E846 PolarHBondContact O-N 3.42Å; V843-Q847 WeakPolarHBondContact O-CG 3.5Å; V843-Q847 PolarHBondContact O-N 3.05Å |
| 844 | A | 94.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.8 | -37.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F693 L813 F840 K842 E846 Q847 Y848 | F693-A844 HydrophobicContact CD1-CB 4.3Å; F693-A844 HydrophobicContact CD2-CB 4.21Å; F693-A844 HydrophobicContact CE1-CB 3.86Å; F693-A844 HydrophobicContact CE2-CB 3.76Å; F693-A844 HydrophobicContact CG-CB 4.47Å; F693-A844 VanDerWaalsContact CZ-CA 3.46Å; F693-A844 HydrophobicContact CZ-CB 3.58Å; F693-A844 WeakPolarHBondContact CZ-O 3.49Å; L813-A844 HydrophobicContact CD2-CB 3.58Å; F840-A844 HydrophobicContact CD2-CB 4.1Å; F840-A844 HydrophobicContact CE1-CB 4.4Å; F840-A844 HydrophobicContact CE2-CB 3.66Å; F840-A844 HydrophobicContact CZ-CB 3.81Å; F840-A844 VanDerWaalsContact O-CB 3.26Å; F840-A844 WeakPolarHBondContact O-CB 3.45Å; F840-A844 PolarHBondContact O-N 3.42Å; K842-A844 VanDerWaalsContact C-N 3.33Å; A844-E846 VanDerWaalsContact C-N 3.34Å; A844-Q847 PolarHBondContact O-N 3.47Å; A844-Y848 VanDerWaalsContact O-CB 3.22Å; A844-Y848 WeakPolarHBondContact O-CB 3.31Å; A844-Y848 PolarHBondContact O-N 3.36Å |
| 845 | Q | 94.3 | Very high | 93.8 | Very high | 79 Ų | 79 | 53.1 Ų | 53.1 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.1 | -45 | 166.9 | -78.5 | 166 | -6.8 | 0 | 0 | 111.8 | E817 S841 G849 | E817-Q845 PolarHBondContact OE1-NE2 2.91Å; S841-Q845 WeakPolarHBondContact O-CB 3.34Å; S841-Q845 WeakPolarHBondContact O-CG 3.47Å; S841-Q845 PolarHBondContact O-N 3.08Å; Q845-G849 PolarHBondContact O-N 2.94Å |
| 846 | E | 94.6 | Very high | 94.1 | Very high | 111 Ų | 111 | 52 Ų | 52 | 52% | 0.519 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66 | -42.6 | -178.7 | -160.4 | -161.6 | 141.1 | 0 | 0 | 112.1 | K842 V843 A844 K850 | K842-E846 PolarHBondContact O-N 3.18Å; K842-E846 VanDerWaalsContact O-N 3.1Å; V843-E846 PolarHBondContact O-N 3.42Å; A844-E846 VanDerWaalsContact C-N 3.34Å; E846-K850 WeakPolarHBondContact O-CG 3.46Å; E846-K850 PolarHBondContact O-N 3.42Å; E846-K850 VanDerWaalsContact OE1-CE 3.31Å; E846-K850 WeakPolarHBondContact OE1-CE 3.36Å; E846-K850 IonicContact OE1-NZ 3.27Å; E846-K850 PolarHBondContact OE1-NZ 3.46Å |
| 847 | Q | 94.7 | Very high | 94.3 | Very high | 51 Ų | 51 | 52.2 Ų | 52.2 | 24% | 0.238 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.1 | -39.4 | 176.9 | -60.4 | -61.6 | -5.6 | 0 | 0 | 112.3 | F693 V843 A844 K850 L851 | F693-Q847 HydrophobicContact CE1-CB 4.06Å; F693-Q847 HydrophobicContact CE1-CG 4.49Å; F693-Q847 HydrophobicContact CZ-CB 4.04Å; V843-Q847 WeakPolarHBondContact O-CG 3.5Å; V843-Q847 PolarHBondContact O-N 3.05Å; A844-Q847 PolarHBondContact O-N 3.47Å; Q847-K850 PolarHBondContact O-N 3.06Å; Q847-L851 PolarHBondContact O-N 3.09Å |
| 848 | Y | 96.1 | Very high | 94.4 | Very high | 35 Ų | 35 | 52.4 Ų | 52.4 | 14% | 0.137 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 173 | 172.8 | -109.7 | 0 | 0 | 0 | 111.5 | L806 M809 E810 L813 A844 K850 L851 A852 | L806-Y848 HydrophobicContact CB-CE2 4.44Å; L806-Y848 HydrophobicContact CD2-CE2 4.28Å; M809-Y848 HydrophobicContact CB-CD2 4.48Å; M809-Y848 HydrophobicContact CG-CD2 4.14Å; M809-Y848 HydrophobicContact SD-CD2 3.78Å; M809-Y848 HydrophobicContact SD-CG 4.44Å; E810-Y848 HydrophobicContact CB-CE1 4.08Å; E810-Y848 HydrophobicContact CB-CE2 4.12Å; E810-Y848 WeakPolarHBondContact CB-OH 3.31Å; E810-Y848 HydrophobicContact CG-CE1 3.97Å; E810-Y848 PolarHBondContact OE1-OH 3.39Å; L813-Y848 VanDerWaalsContact CD1-CB 3.48Å; L813-Y848 HydrophobicContact CD1-CD1 3.9Å; L813-Y848 HydrophobicContact CD1-CD2 4.42Å; L813-Y848 HydrophobicContact CD1-CG 3.65Å; A844-Y848 VanDerWaalsContact O-CB 3.22Å; A844-Y848 WeakPolarHBondContact O-CB 3.31Å; A844-Y848 PolarHBondContact O-N 3.36Å; Y848-K850 VanDerWaalsContact C-N 3.28Å; Y848-K850 PolarHBondContact O-N 3Å; Y848-L851 PolarHBondContact O-N 2.64Å; Y848-L851 VanDerWaalsContact O-N 3.1Å; Y848-A852 HydrophobicContact CE1-CB 4.37Å; Y848-A852 HydrophobicContact CE2-CB 4.26Å; Y848-A852 WeakPolarHBondContact O-CB 3.05Å; Y848-A852 PolarHBondContact O-N 3.39Å |
| 849 | G | 95.1 | Very high | 94.6 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 32% | 0.32 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.5 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q845 T853 | Q845-G849 PolarHBondContact O-N 2.94Å; G849-T853 WeakPolarHBondContact O-CB 3.38Å; G849-T853 PolarHBondContact O-N 3.01Å; G849-T853 PolarHBondContact O-OG1 2.62Å |
| 850 | K | 94.6 | Very high | 94.8 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 38% | 0.378 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 172.7 | -69 | 164.2 | -169.5 | 168.1 | 0 | 111.6 | E846 Q847 Y848 T853 M854 | E846-K850 WeakPolarHBondContact O-CG 3.46Å; E846-K850 PolarHBondContact O-N 3.42Å; E846-K850 VanDerWaalsContact OE1-CE 3.31Å; E846-K850 WeakPolarHBondContact OE1-CE 3.36Å; E846-K850 IonicContact OE1-NZ 3.27Å; E846-K850 PolarHBondContact OE1-NZ 3.46Å; Q847-K850 PolarHBondContact O-N 3.06Å; Y848-K850 VanDerWaalsContact C-N 3.28Å; Y848-K850 PolarHBondContact O-N 3Å; K850-T853 PolarHBondContact O-N 3.01Å; K850-M854 VanDerWaalsContact O-CG 3.27Å; K850-M854 WeakPolarHBondContact O-CG 3.46Å; K850-M854 PolarHBondContact O-N 3.33Å |
| 851 | L | 94.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 177.6 | -74.5 | 176.5 | 0 | 0 | 0 | 112.7 | V697 R701 I704 L806 M809 Q847 Y848 T853 M854 H855 | V697-L851 HydrophobicContact CB-CD1 4.29Å; V697-L851 HydrophobicContact CG1-CD1 4.23Å; V697-L851 HydrophobicContact CG2-CD1 3.91Å; R701-L851 HydrophobicContact CB-CD2 3.92Å; R701-L851 HydrophobicContact CG-CD2 4.28Å; I704-L851 HydrophobicContact CD1-CD2 4.35Å; L806-L851 HydrophobicContact CD2-CB 3.94Å; L806-L851 HydrophobicContact CD2-CD1 4.36Å; M809-L851 HydrophobicContact CE-CD1 4.43Å; M809-L851 HydrophobicContact SD-CD1 4.37Å; Q847-L851 PolarHBondContact O-N 3.09Å; Y848-L851 PolarHBondContact O-N 2.64Å; Y848-L851 VanDerWaalsContact O-N 3.1Å; L851-T853 VanDerWaalsContact C-N 3.33Å; L851-T853 PolarHBondContact O-N 3.02Å; L851-M854 PolarHBondContact O-N 3.5Å; L851-H855 PolarHBondContact O-N 3.5Å |
| 852 | A | 95 | Very high | 94.8 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 25% | 0.248 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y848 H855 S856 | Y848-A852 HydrophobicContact CE1-CB 4.37Å; Y848-A852 HydrophobicContact CE2-CB 4.26Å; Y848-A852 WeakPolarHBondContact O-CB 3.05Å; Y848-A852 PolarHBondContact O-N 3.39Å; A852-H855 PolarHBondContact O-N 2.78Å; A852-S856 WeakPolarHBondContact O-CB 3.26Å; A852-S856 PolarHBondContact O-N 3.12Å |
| 853 | T | 95.4 | Very high | 94.9 | Very high | 101 Ų | 101 | 53.1 Ų | 53.1 | 62% | 0.62 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.9 | -43.8 | 173 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | G849 K850 L851 S856 N857 | G849-T853 WeakPolarHBondContact O-CB 3.38Å; G849-T853 PolarHBondContact O-N 3.01Å; G849-T853 PolarHBondContact O-OG1 2.62Å; K850-T853 PolarHBondContact O-N 3.01Å; L851-T853 VanDerWaalsContact C-N 3.33Å; L851-T853 PolarHBondContact O-N 3.02Å; T853-S856 PolarHBondContact O-N 3.08Å; T853-N857 WeakPolarHBondContact O-CB 3.46Å; T853-N857 PolarHBondContact O-N 2.91Å |
| 854 | M | 94.6 | Very high | 94.9 | Very high | 43 Ų | 43 | 52.6 Ų | 52.6 | 21% | 0.212 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.9 | -35.7 | 177.5 | -69.6 | 171 | 55.2 | 0 | 0 | 113 | R701 I704 L705 N708 K850 L851 M858 | R701-M854 HydrophobicContact CG-CE 4.08Å; I704-M854 HydrophobicContact CG2-CB 3.73Å; I704-M854 HydrophobicContact CG2-CE 4.33Å; I704-M854 WeakPolarHBondContact CG2-O 3.43Å; L705-M854 HydrophobicContact CD1-CE 4.22Å; L705-M854 HydrophobicContact CD2-CE 3.57Å; L705-M854 HydrophobicContact CG-CE 3.62Å; N708-M854 PolarHBondContact ND2-O 2.72Å; K850-M854 VanDerWaalsContact O-CG 3.27Å; K850-M854 WeakPolarHBondContact O-CG 3.46Å; K850-M854 PolarHBondContact O-N 3.33Å; L851-M854 PolarHBondContact O-N 3.5Å; M854-M858 WeakPolarHBondContact O-CB 3.21Å; M854-M858 PolarHBondContact O-N 3.46Å |
| 855 | H | 95.6 | Very high | 94.9 | Very high | 12 Ų | 12 | 52.6 Ų | 52.6 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.8 | -45.7 | 175 | -172 | -82.2 | 0 | 0 | 0 | 111.8 | I704 L806 L851 A852 N857 M858 E859 | I704-H855 HydrophobicContact CD1-CB 4.31Å; L806-H855 HydrophobicContact CD1-CB 3.64Å; L806-H855 WeakPolarHBondContact CD1-CD2 3.4Å; L851-H855 PolarHBondContact O-N 3.5Å; A852-H855 PolarHBondContact O-N 2.78Å; H855-N857 PolarHBondContact O-N 3.36Å; H855-M858 WeakPolarHBondContact O-CA 3.43Å; H855-M858 VanDerWaalsContact O-CB 3.25Å; H855-M858 WeakPolarHBondContact O-CB 3.44Å; H855-M858 PolarHBondContact O-N 2.87Å; H855-E859 IonicContact CE1-OE1 3.4Å; H855-E859 PolarHBondContact CE1-OE1 3.43Å; H855-E859 IonicContact CE1-OE2 2.83Å; H855-E859 PolarHBondContact CE1-OE2 2.86Å; H855-E859 IonicContact ND1-OE1 2.8Å; H855-E859 IonicContact ND1-OE2 2.64Å; H855-E859 PolarHBondContact ND1-OE2 3.37Å; H855-E859 WeakPolarHBondContact O-CG 3.5Å; H855-E859 PolarHBondContact O-N 2.96Å |
| 856 | S | 95.6 | Very high | 94.8 | Very high | 65 Ų | 65 | 48.9 Ų | 48.9 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.2 | -35.4 | 176.7 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | A852 T853 T860 | A852-S856 WeakPolarHBondContact O-CB 3.26Å; A852-S856 PolarHBondContact O-N 3.12Å; T853-S856 PolarHBondContact O-N 3.08Å; S856-T860 VanDerWaalsContact O-CB 3.31Å; S856-T860 WeakPolarHBondContact O-CB 3.46Å; S856-T860 PolarHBondContact O-N 3.39Å; S856-T860 PolarHBondContact O-OG1 3.12Å |
| 857 | N | 95.2 | Very high | 94.8 | Very high | 81 Ų | 81 | 51 Ų | 51 | 43% | 0.433 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 170.6 | -171.1 | 65.3 | 0 | 0 | 0 | 112.2 | N708 T853 H855 T860 M861 | N708-N857 PolarHBondContact OD1-ND2 2.7Å; T853-N857 WeakPolarHBondContact O-CB 3.46Å; T853-N857 PolarHBondContact O-N 2.91Å; H855-N857 PolarHBondContact O-N 3.36Å; N857-T860 PolarHBondContact O-N 2.85Å; N857-M861 WeakPolarHBondContact O-CB 3.45Å; N857-M861 VanDerWaalsContact O-CG 3.29Å; N857-M861 WeakPolarHBondContact O-CG 3.36Å; N857-M861 PolarHBondContact O-N 2.68Å |
| 858 | M | 95.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.3 | -49.8 | 176.1 | -174.7 | -165.9 | 72.8 | 0 | 0 | 111.7 | I704 V707 N708 L802 M854 H855 T860 M861 Y862 | I704-M858 HydrophobicContact CB-SD 4.37Å; I704-M858 HydrophobicContact CG1-SD 4.32Å; I704-M858 HydrophobicContact CG2-CB 4.32Å; I704-M858 HydrophobicContact CG2-SD 4.26Å; V707-M858 HydrophobicContact CB-CG 3.74Å; V707-M858 HydrophobicContact CB-SD 3.69Å; V707-M858 HydrophobicContact CG1-CG 3.42Å; V707-M858 VanDerWaalsContact CG1-CG 3.42Å; V707-M858 HydrophobicContact CG1-SD 3.78Å; V707-M858 HydrophobicContact CG2-SD 4.23Å; N708-M858 WeakPolarHBondContact ND2-CB 3.33Å; N708-M858 WeakPolarHBondContact OD1-CA 3.45Å; N708-M858 PolarHBondContact OD1-N 3.29Å; L802-M858 HydrophobicContact CD1-CE 4.22Å; L802-M858 HydrophobicContact CD1-SD 4.15Å; M854-M858 WeakPolarHBondContact O-CB 3.21Å; M854-M858 PolarHBondContact O-N 3.46Å; H855-M858 WeakPolarHBondContact O-CA 3.43Å; H855-M858 VanDerWaalsContact O-CB 3.25Å; H855-M858 WeakPolarHBondContact O-CB 3.44Å; H855-M858 PolarHBondContact O-N 2.87Å; M858-T860 VanDerWaalsContact C-N 3.33Å; M858-T860 PolarHBondContact O-N 3.12Å; M858-M861 PolarHBondContact O-N 3.35Å; M858-Y862 WeakPolarHBondContact O-CB 3.29Å; M858-Y862 PolarHBondContact O-N 3.45Å |
| 859 | E | 94.4 | Very high | 94.7 | Very high | 83 Ų | 83 | 55.3 Ų | 55.3 | 39% | 0.388 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 175.5 | -67.6 | 171.3 | 114.9 | 0 | 0 | 111.1 | H855 Y862 Q863 | H855-E859 IonicContact CE1-OE1 3.4Å; H855-E859 PolarHBondContact CE1-OE1 3.43Å; H855-E859 IonicContact CE1-OE2 2.83Å; H855-E859 PolarHBondContact CE1-OE2 2.86Å; H855-E859 IonicContact ND1-OE1 2.8Å; H855-E859 IonicContact ND1-OE2 2.64Å; H855-E859 PolarHBondContact ND1-OE2 3.37Å; H855-E859 WeakPolarHBondContact O-CG 3.5Å; H855-E859 PolarHBondContact O-N 2.96Å; E859-Y862 PolarHBondContact O-N 2.88Å; E859-Q863 WeakPolarHBondContact O-CG 3.25Å; E859-Q863 PolarHBondContact O-N 3.41Å |
| 860 | T | 95.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 58.3 Ų | 58.3 | 44% | 0.436 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 178.2 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | S856 N857 M858 N864 | S856-T860 VanDerWaalsContact O-CB 3.31Å; S856-T860 WeakPolarHBondContact O-CB 3.46Å; S856-T860 PolarHBondContact O-N 3.39Å; S856-T860 PolarHBondContact O-OG1 3.12Å; N857-T860 PolarHBondContact O-N 2.85Å; M858-T860 VanDerWaalsContact C-N 3.33Å; M858-T860 PolarHBondContact O-N 3.12Å; T860-N864 WeakPolarHBondContact O-CB 3.46Å; T860-N864 VanDerWaalsContact O-CG 3.24Å; T860-N864 PolarHBondContact O-N 3.13Å; T860-N864 PolarHBondContact O-ND2 2.98Å |
| 861 | M | 93.9 | Very high | 94.5 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 22% | 0.217 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.2 | -37.3 | 177.2 | -67.3 | -137.7 | -72.1 | 0 | 0 | 111.8 | N708 C711 E712 N857 M858 N864 L865 | N708-M861 HydrophobicContact CB-CE 3.83Å; N708-M861 VanDerWaalsContact O-CE 3.3Å; N708-M861 WeakPolarHBondContact O-CE 3.48Å; N708-M861 VanDerWaalsContact OD1-CE 3.22Å; N708-M861 WeakPolarHBondContact OD1-CE 3.46Å; C711-M861 HydrophobicContact CB-CB 3.98Å; E712-M861 HydrophobicContact CB-CE 4.47Å; N857-M861 WeakPolarHBondContact O-CB 3.45Å; N857-M861 VanDerWaalsContact O-CG 3.29Å; N857-M861 WeakPolarHBondContact O-CG 3.36Å; N857-M861 PolarHBondContact O-N 2.68Å; M858-M861 PolarHBondContact O-N 3.35Å; M861-N864 PolarHBondContact O-N 2.85Å; M861-L865 WeakPolarHBondContact O-CB 3.44Å; M861-L865 PolarHBondContact O-N 2.98Å |
| 862 | Y | 95.3 | Very high | 94.1 | Very high | 14 Ų | 14 | 57.4 Ų | 57.4 | 6% | 0.055 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65 | -46.8 | 174.6 | -177.2 | -113.6 | 0 | 0 | 0 | 112.3 | M858 E859 N864 L865 L866 T876 S877 V878 L881 F882 | M858-Y862 WeakPolarHBondContact O-CB 3.29Å; M858-Y862 PolarHBondContact O-N 3.45Å; E859-Y862 PolarHBondContact O-N 2.88Å; Y862-N864 VanDerWaalsContact C-N 3.32Å; Y862-N864 PolarHBondContact O-N 3.08Å; Y862-L865 WeakPolarHBondContact O-CB 3.32Å; Y862-L865 PolarHBondContact O-N 3.46Å; Y862-L865 VanDerWaalsContact O-N 3.1Å; Y862-L866 HydrophobicContact CD1-CD1 3.98Å; Y862-L866 HydrophobicContact CD1-CG 4.45Å; Y862-L866 HydrophobicContact CE1-CD1 3.46Å; Y862-L866 VanDerWaalsContact CE1-CD1 3.46Å; Y862-L866 HydrophobicContact CE1-CD2 4.47Å; Y862-L866 HydrophobicContact CE1-CG 4.08Å; Y862-L866 HydrophobicContact CE2-CD1 4.47Å; Y862-L866 HydrophobicContact CE2-CD2 4.16Å; Y862-L866 HydrophobicContact CE2-CG 4.22Å; Y862-L866 WeakPolarHBondContact O-CG 3.39Å; Y862-L866 PolarHBondContact O-N 3.32Å; Y862-T876 PolarHBondContact OH-O 3.27Å; Y862-S877 PolarHBondContact OH-O 3.34Å; Y862-V878 HydrophobicContact CD1-CG2 3.76Å; Y862-V878 HydrophobicContact CD2-CG2 4.04Å; Y862-V878 HydrophobicContact CE1-CG2 3.73Å; Y862-V878 HydrophobicContact CE2-CB 4.39Å; Y862-V878 HydrophobicContact CE2-CG2 4.03Å; Y862-V878 HydrophobicContact CG-CG2 3.93Å; Y862-V878 PolarHBondContact OH-N 3.48Å; Y862-L881 HydrophobicContact CE2-CB 4.34Å; Y862-L881 HydrophobicContact CE2-CD2 3.79Å; Y862-F882 HydrophobicContact CD2-CE2 4.39Å |
| 863 | Q | 94.1 | Very high | 93.7 | Very high | 94 Ų | 94 | 59.3 Ų | 59.3 | 44% | 0.439 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 175.2 | -66.7 | -62 | -28.4 | 0 | 0 | 112 | E859 L865 L866 Q867 | E859-Q863 WeakPolarHBondContact O-CG 3.25Å; E859-Q863 PolarHBondContact O-N 3.41Å; Q863-L865 VanDerWaalsContact C-N 3.3Å; Q863-L865 PolarHBondContact O-N 2.85Å; Q863-L866 PolarHBondContact O-N 3.3Å; Q863-Q867 WeakPolarHBondContact O-CB 3.25Å; Q863-Q867 PolarHBondContact O-N 2.97Å |
| 864 | N | 93.8 | Very high | 93.1 | Very high | 65 Ų | 65 | 63.9 Ų | 63.9 | 35% | 0.348 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.7 | -33.1 | 173.6 | -76.7 | -39.6 | 0 | 0 | 0 | 112.9 | R715 T860 M861 Y862 Y868 | R715-N864 PolarHBondContact NH1-O 3.02Å; T860-N864 WeakPolarHBondContact O-CB 3.46Å; T860-N864 VanDerWaalsContact O-CG 3.24Å; T860-N864 PolarHBondContact O-N 3.13Å; T860-N864 PolarHBondContact O-ND2 2.98Å; M861-N864 PolarHBondContact O-N 2.85Å; Y862-N864 VanDerWaalsContact C-N 3.32Å; Y862-N864 PolarHBondContact O-N 3.08Å; N864-Y868 VanDerWaalsContact O-CB 3.29Å; N864-Y868 WeakPolarHBondContact O-CB 3.15Å; N864-Y868 PolarHBondContact O-N 3.48Å; N864-Y868 VanDerWaalsContact O-N 3.17Å |
| 865 | L | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.8 | -49.3 | 175.5 | -174.3 | 74.3 | 0 | 0 | 0 | 111.1 | C711 V714 R715 M861 Y862 Q863 Q867 Y868 F869 L881 F882 | C711-L865 HydrophobicContact CB-CD2 4.48Å; V714-L865 HydrophobicContact CB-CD1 4.16Å; V714-L865 HydrophobicContact CG1-CD1 4.1Å; R715-L865 HydrophobicContact CB-CD1 4.01Å; M861-L865 WeakPolarHBondContact O-CB 3.44Å; M861-L865 PolarHBondContact O-N 2.98Å; Y862-L865 WeakPolarHBondContact O-CB 3.32Å; Y862-L865 PolarHBondContact O-N 3.46Å; Y862-L865 VanDerWaalsContact O-N 3.1Å; Q863-L865 VanDerWaalsContact C-N 3.3Å; Q863-L865 PolarHBondContact O-N 2.85Å; L865-Q867 VanDerWaalsContact C-N 3.34Å; L865-Q867 PolarHBondContact O-N 3.25Å; L865-Y868 PolarHBondContact O-N 3.32Å; L865-Y868 VanDerWaalsContact O-N 3.13Å; L865-F869 HydrophobicContact CD1-CD2 3.91Å; L865-F869 HydrophobicContact CD1-CE2 3.65Å; L865-F869 HydrophobicContact CG-CD2 4.23Å; L865-F869 HydrophobicContact CG-CE2 4.44Å; L865-F869 PolarHBondContact O-N 3.39Å; L865-L881 HydrophobicContact CD2-CD2 3.71Å; L865-F882 HydrophobicContact CD2-CE1 4.34Å; L865-F882 HydrophobicContact CD2-CZ 3.94Å |
| 866 | L | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.9 | -45.2 | 176.2 | -67.3 | 178.4 | 0 | 0 | 0 | 111.7 | Y862 Q863 Y868 F869 A870 V871 P873 L881 | Y862-L866 HydrophobicContact CD1-CD1 3.98Å; Y862-L866 HydrophobicContact CD1-CG 4.45Å; Y862-L866 HydrophobicContact CE1-CD1 3.46Å; Y862-L866 VanDerWaalsContact CE1-CD1 3.46Å; Y862-L866 HydrophobicContact CE1-CD2 4.47Å; Y862-L866 HydrophobicContact CE1-CG 4.08Å; Y862-L866 HydrophobicContact CE2-CD1 4.47Å; Y862-L866 HydrophobicContact CE2-CD2 4.16Å; Y862-L866 HydrophobicContact CE2-CG 4.22Å; Y862-L866 WeakPolarHBondContact O-CG 3.39Å; Y862-L866 PolarHBondContact O-N 3.32Å; Q863-L866 PolarHBondContact O-N 3.3Å; L866-Y868 VanDerWaalsContact C-N 3.31Å; L866-Y868 PolarHBondContact O-N 3Å; L866-F869 PolarHBondContact O-N 3.24Å; L866-A870 WeakPolarHBondContact O-CA 3.16Å; L866-A870 PolarHBondContact O-N 3.33Å; L866-V871 HydrophobicContact CD2-CB 3.66Å; L866-V871 HydrophobicContact CD2-CG1 3.62Å; L866-V871 PolarHBondContact O-N 3.41Å; L866-P873 HydrophobicContact CB-CG 4.42Å; L866-P873 HydrophobicContact CD1-CB 3.72Å; L866-P873 HydrophobicContact CD1-CG 3.85Å; L866-L881 HydrophobicContact CD2-CD2 4.12Å |
| 867 | Q | 93.8 | Very high | 92.2 | Very high | 156 Ų | 156 | 68.6 Ų | 68.6 | 73% | 0.729 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.1 | -38 | 176.4 | -170.3 | -176.7 | 29.6 | 0 | 0 | 112.4 | Q863 L865 A870 | Q863-Q867 WeakPolarHBondContact O-CB 3.25Å; Q863-Q867 PolarHBondContact O-N 2.97Å; L865-Q867 VanDerWaalsContact C-N 3.34Å; L865-Q867 PolarHBondContact O-N 3.25Å; Q867-A870 PolarHBondContact O-N 3.41Å |
| 868 | Y | 93.8 | Very high | 92.1 | Very high | 139 Ų | 139 | 65.2 Ų | 65.2 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.5 | -37 | -178.3 | -179.7 | -101.7 | 0 | 0 | 0 | 112.9 | N864 L865 L866 | N864-Y868 VanDerWaalsContact O-CB 3.29Å; N864-Y868 WeakPolarHBondContact O-CB 3.15Å; N864-Y868 PolarHBondContact O-N 3.48Å; N864-Y868 VanDerWaalsContact O-N 3.17Å; L865-Y868 PolarHBondContact O-N 3.32Å; L865-Y868 VanDerWaalsContact O-N 3.13Å; L866-Y868 VanDerWaalsContact C-N 3.31Å; L866-Y868 PolarHBondContact O-N 3Å |
| 869 | F | 94.2 | Very high | 92 | Very high | 37 Ų | 37 | 67.6 Ų | 67.6 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 8.7 | 175.2 | -67.9 | -69.4 | 0 | 0 | 0 | 114.2 | V714 F720 L724 L748 L865 L866 V871 | V714-F869 HydrophobicContact CG1-CE2 3.83Å; V714-F869 HydrophobicContact CG1-CZ 4.26Å; F720-F869 HydrophobicContact CD1-CZ 4.3Å; F720-F869 HydrophobicContact CE1-CE1 4.35Å; F720-F869 HydrophobicContact CE1-CZ 4.13Å; L724-F869 HydrophobicContact CD1-CD1 4.07Å; L724-F869 HydrophobicContact CD1-CE1 3.55Å; L748-F869 HydrophobicContact CD1-CB 3.81Å; L748-F869 HydrophobicContact CD1-CD1 4.23Å; L748-F869 HydrophobicContact CD1-CD2 4.14Å; L748-F869 HydrophobicContact CD1-CG 3.8Å; L748-F869 HydrophobicContact CD2-CD1 4.27Å; L748-F869 HydrophobicContact CG-CB 4.33Å; L865-F869 HydrophobicContact CD1-CD2 3.91Å; L865-F869 HydrophobicContact CD1-CE2 3.65Å; L865-F869 HydrophobicContact CG-CD2 4.23Å; L865-F869 HydrophobicContact CG-CE2 4.44Å; L865-F869 PolarHBondContact O-N 3.39Å; L866-F869 PolarHBondContact O-N 3.24Å; F869-V871 HydrophobicContact CB-CG2 4.05Å; F869-V871 PolarHBondContact O-N 2.84Å |
| 870 | A | 93.1 | Very high | 91.9 | Very high | 94 Ų | 94 | 68.6 Ų | 68.6 | 78% | 0.777 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 32.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L866 Q867 | L866-A870 WeakPolarHBondContact O-CA 3.16Å; L866-A870 PolarHBondContact O-N 3.33Å; Q867-A870 PolarHBondContact O-N 3.41Å |
| 871 | V | 92.3 | Very high | 91.9 | Very high | 14 Ų | 14 | 65.7 Ų | 65.7 | 9% | 0.085 | 33% | 0.33 | C | S | . | . | trans | -83.2 | 142.8 | 177.1 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | L748 L866 F869 P873 T876 | L748-V871 HydrophobicContact CD1-CG2 4.31Å; L866-V871 HydrophobicContact CD2-CB 3.66Å; L866-V871 HydrophobicContact CD2-CG1 3.62Å; L866-V871 PolarHBondContact O-N 3.41Å; F869-V871 HydrophobicContact CB-CG2 4.05Å; F869-V871 PolarHBondContact O-N 2.84Å; V871-P873 VanDerWaalsContact O-CD 3.3Å; V871-P873 WeakPolarHBondContact O-CD 3.33Å; V871-T876 HydrophobicContact CG1-CG2 4.25Å | ||
| 872 | D | 87.7 | Confident | 92.1 | Very high | 59 Ų | 59 | 63.6 Ų | 63.6 | 32% | 0.316 | 32% | 0.32 | S | S | . | . | trans | -80.9 | 113.2 | -177 | -175.4 | -15.5 | 0 | 0 | 0 | 111.9 | K874 K875 | D872-K874 PolarHBondContact O-N 2.81Å; D872-K874 WeakPolarHBondContact OD1-CB 3.41Å; D872-K874 PolarHBondContact OD1-N 3.06Å; D872-K875 HydrophobicContact CB-CB 4.29Å; D872-K875 HydrophobicContact CB-CD 4.46Å; D872-K875 HydrophobicContact CB-CG 4.18Å; D872-K875 PolarHBondContact O-N 2.97Å; D872-K875 IonicContact OD2-NZ 3.19Å; D872-K875 PolarHBondContact OD2-NZ 3.45Å | ||
| 873 | P | 85.8 | Confident | 92.2 | Very high | 69 Ų | 69 | 65.6 Ų | 65.6 | 45% | 0.448 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -8 | -178.2 | -19 | 31.8 | 0 | 0 | 0 | 115.1 | L866 V871 | L866-P873 HydrophobicContact CB-CG 4.42Å; L866-P873 HydrophobicContact CD1-CB 3.72Å; L866-P873 HydrophobicContact CD1-CG 3.85Å; V871-P873 VanDerWaalsContact O-CD 3.3Å; V871-P873 WeakPolarHBondContact O-CD 3.33Å |
| 874 | K | 83.3 | Confident | 92.2 | Very high | 198 Ų | 198 | 63.7 Ų | 63.7 | 86% | 0.861 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -3.9 | 176 | -59.1 | 178.6 | -178.9 | 176.4 | 0 | 113.5 | D872 | D872-K874 PolarHBondContact O-N 2.81Å; D872-K874 WeakPolarHBondContact OD1-CB 3.41Å; D872-K874 PolarHBondContact OD1-N 3.06Å |
| 875 | K | 84.7 | Confident | 92.4 | Very high | 152 Ų | 152 | 60.8 Ų | 60.8 | 66% | 0.661 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | -0.5 | -176.1 | -60.3 | -164.1 | -172.3 | 88.5 | 0 | 114.4 | D872 | D872-K875 HydrophobicContact CB-CB 4.29Å; D872-K875 HydrophobicContact CB-CD 4.46Å; D872-K875 HydrophobicContact CB-CG 4.18Å; D872-K875 PolarHBondContact O-N 2.97Å; D872-K875 IonicContact OD2-NZ 3.19Å; D872-K875 PolarHBondContact OD2-NZ 3.45Å |
| 876 | T | 88.9 | Confident | 92.5 | Very high | 31 Ų | 31 | 61.6 Ų | 61.6 | 19% | 0.19 | 32% | 0.317 | C | S | . | . | trans | -146.7 | 109.2 | -172.7 | -51.4 | 0 | 0 | 0 | 0 | 110.1 | Y862 V871 E880 L881 | Y862-T876 PolarHBondContact OH-O 3.27Å; V871-T876 HydrophobicContact CG1-CG2 4.25Å; T876-E880 VanDerWaalsContact CA-OE2 3.31Å; T876-E880 WeakPolarHBondContact CA-OE2 3.49Å; T876-E880 HydrophobicContact CG2-CB 4.19Å; T876-L881 HydrophobicContact CG2-CB 3.75Å; T876-L881 HydrophobicContact CG2-CD1 4.45Å | ||
| 877 | S | 92.5 | Very high | 92.6 | Very high | 35 Ų | 35 | 65.3 Ų | 65.3 | 25% | 0.245 | 34% | 0.336 | C | S | . | . | trans | -77.7 | 167.9 | 169.7 | 77 | 0 | 0 | 0 | 0 | 111.9 | Y862 E879 E880 L881 | Y862-S877 PolarHBondContact OH-O 3.34Å; S877-E879 WeakPolarHBondContact CB-OE1 3.25Å; S877-E879 PolarHBondContact O-N 3.25Å; S877-E879 WeakPolarHBondContact OG-CG 3.45Å; S877-E879 PolarHBondContact OG-OE1 2.94Å; S877-E880 PolarHBondContact N-OE2 3.49Å; S877-E880 PolarHBondContact O-N 3.35Å; S877-E880 WeakPolarHBondContact OG-CG 3.45Å; S877-E880 PolarHBondContact OG-N 2.89Å; S877-L881 PolarHBondContact O-N 3.16Å; S877-L881 VanDerWaalsContact O-N 3.08Å | ||
| 878 | V | 93.3 | Very high | 92.8 | Very high | 11 Ų | 11 | 58 Ų | 58 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.9 | -51.7 | -178.5 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | V707 A799 Y862 E880 L881 F882 | V707-V878 HydrophobicContact CB-CG1 4.42Å; V707-V878 HydrophobicContact CG1-CG1 3.6Å; V707-V878 HydrophobicContact CG2-CG1 3.86Å; A799-V878 HydrophobicContact CB-CB 4.05Å; A799-V878 HydrophobicContact CB-CG2 3.83Å; Y862-V878 HydrophobicContact CD1-CG2 3.76Å; Y862-V878 HydrophobicContact CD2-CG2 4.04Å; Y862-V878 HydrophobicContact CE1-CG2 3.73Å; Y862-V878 HydrophobicContact CE2-CB 4.39Å; Y862-V878 HydrophobicContact CE2-CG2 4.03Å; Y862-V878 HydrophobicContact CG-CG2 3.93Å; Y862-V878 PolarHBondContact OH-N 3.48Å; V878-E880 VanDerWaalsContact C-N 3.32Å; V878-E880 PolarHBondContact O-N 3.21Å; V878-L881 PolarHBondContact O-N 2.92Å; V878-F882 HydrophobicContact CG1-CD2 3.88Å; V878-F882 HydrophobicContact CG1-CE2 4Å; V878-F882 VanDerWaalsContact O-CD2 3.25Å; V878-F882 WeakPolarHBondContact O-CD2 3.46Å; V878-F882 PolarHBondContact O-N 3.16Å |
| 879 | E | 93.2 | Very high | 92.9 | Very high | 53 Ų | 53 | 53 Ų | 53 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -33.8 | 178 | 58.7 | -76.3 | 171.5 | 0 | 0 | 113.1 | A799 S877 T883 | A799-E879 PolarHBondContact N-OE2 2.61Å; S877-E879 WeakPolarHBondContact CB-OE1 3.25Å; S877-E879 PolarHBondContact O-N 3.25Å; S877-E879 WeakPolarHBondContact OG-CG 3.45Å; S877-E879 PolarHBondContact OG-OE1 2.94Å; E879-T883 WeakPolarHBondContact O-CB 3.43Å; E879-T883 PolarHBondContact O-N 3.1Å; E879-T883 PolarHBondContact O-OG1 3.3Å |
| 880 | E | 93.8 | Very high | 93.1 | Very high | 104 Ų | 104 | 54.2 Ų | 54.2 | 49% | 0.486 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.3 | -50 | 175.6 | -73.5 | 175 | 148.4 | 0 | 0 | 112 | T876 S877 V878 F882 T883 D884 | T876-E880 VanDerWaalsContact CA-OE2 3.31Å; T876-E880 WeakPolarHBondContact CA-OE2 3.49Å; T876-E880 HydrophobicContact CG2-CB 4.19Å; S877-E880 PolarHBondContact N-OE2 3.49Å; S877-E880 PolarHBondContact O-N 3.35Å; S877-E880 WeakPolarHBondContact OG-CG 3.45Å; S877-E880 PolarHBondContact OG-N 2.89Å; V878-E880 VanDerWaalsContact C-N 3.32Å; V878-E880 PolarHBondContact O-N 3.21Å; E880-F882 PolarHBondContact O-N 2.71Å; E880-T883 PolarHBondContact O-N 3.32Å; E880-D884 PolarHBondContact O-N 3.06Å |
| 881 | L | 95.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.8 | -49.1 | -179.5 | -177.5 | 65.2 | 0 | 0 | 0 | 111.6 | L748 Y862 L865 L866 T876 S877 V878 T883 D884 L885 | L748-L881 HydrophobicContact CD1-CD1 4.11Å; Y862-L881 HydrophobicContact CE2-CB 4.34Å; Y862-L881 HydrophobicContact CE2-CD2 3.79Å; L865-L881 HydrophobicContact CD2-CD2 3.71Å; L866-L881 HydrophobicContact CD2-CD2 4.12Å; T876-L881 HydrophobicContact CG2-CB 3.75Å; T876-L881 HydrophobicContact CG2-CD1 4.45Å; S877-L881 PolarHBondContact O-N 3.16Å; S877-L881 VanDerWaalsContact O-N 3.08Å; V878-L881 PolarHBondContact O-N 2.92Å; L881-T883 VanDerWaalsContact C-N 3.32Å; L881-T883 PolarHBondContact O-N 3.14Å; L881-D884 PolarHBondContact O-N 3.32Å; L881-L885 HydrophobicContact CD1-CD1 4.46Å; L881-L885 HydrophobicContact CG-CD1 4.22Å; L881-L885 WeakPolarHBondContact O-CG 3.47Å; L881-L885 PolarHBondContact O-N 2.63Å; L881-L885 VanDerWaalsContact O-N 3.08Å |
| 882 | F | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73.3 | -25.1 | -178.8 | -67.9 | -61.1 | 0 | 0 | 0 | 112.4 | V707 A710 V714 V791 A794 S795 Y862 L865 V878 E880 L885 S886 | V707-F882 HydrophobicContact CG1-CE2 4.2Å; A710-F882 HydrophobicContact CB-CD1 3.93Å; A710-F882 HydrophobicContact CB-CE1 3.5Å; A710-F882 HydrophobicContact CB-CE2 4.39Å; A710-F882 HydrophobicContact CB-CZ 3.77Å; V714-F882 HydrophobicContact CG2-CE1 4.11Å; V791-F882 HydrophobicContact CB-CD1 4.5Å; V791-F882 HydrophobicContact CG1-CB 4.46Å; V791-F882 HydrophobicContact CG1-CD1 4.2Å; V791-F882 HydrophobicContact CG2-CD1 4.13Å; V791-F882 HydrophobicContact CG2-CE1 4.46Å; A794-F882 HydrophobicContact CB-CB 4.06Å; A794-F882 HydrophobicContact CB-CD1 4.33Å; A794-F882 HydrophobicContact CB-CD2 3.74Å; A794-F882 HydrophobicContact CB-CE2 4.28Å; A794-F882 HydrophobicContact CB-CG 3.77Å; S795-F882 VanDerWaalsContact CB-C 3.5Å; Y862-F882 HydrophobicContact CD2-CE2 4.39Å; L865-F882 HydrophobicContact CD2-CE1 4.34Å; L865-F882 HydrophobicContact CD2-CZ 3.94Å; V878-F882 HydrophobicContact CG1-CD2 3.88Å; V878-F882 HydrophobicContact CG1-CE2 4Å; V878-F882 VanDerWaalsContact O-CD2 3.25Å; V878-F882 WeakPolarHBondContact O-CD2 3.46Å; V878-F882 PolarHBondContact O-N 3.16Å; E880-F882 PolarHBondContact O-N 2.71Å; F882-L885 HydrophobicContact CD1-CD1 4.25Å; F882-L885 HydrophobicContact CE1-CD1 4.49Å; F882-S886 WeakPolarHBondContact O-CB 3.47Å; F882-S886 PolarHBondContact O-N 3.44Å |
| 883 | T | 96.6 | Very high | 93.9 | Very high | 55 Ų | 55 | 49.8 Ų | 49.8 | 34% | 0.337 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64 | -47.3 | 168.9 | -69.4 | 0 | 0 | 0 | 0 | 111.4 | S795 E879 E880 L881 L885 S886 N887 | S795-T883 PolarHBondContact O-OG1 3.12Å; E879-T883 WeakPolarHBondContact O-CB 3.43Å; E879-T883 PolarHBondContact O-N 3.1Å; E879-T883 PolarHBondContact O-OG1 3.3Å; E880-T883 PolarHBondContact O-N 3.32Å; L881-T883 VanDerWaalsContact C-N 3.32Å; L881-T883 PolarHBondContact O-N 3.14Å; T883-L885 PolarHBondContact O-N 2.91Å; T883-S886 PolarHBondContact O-N 2.94Å; T883-N887 WeakPolarHBondContact CG2-ND2 3.35Å; T883-N887 VanDerWaalsContact O-CB 3.26Å; T883-N887 WeakPolarHBondContact O-CB 3.38Å; T883-N887 PolarHBondContact O-N 3.36Å; T883-N887 PolarHBondContact O-ND2 3.47Å |
| 884 | D | 95.3 | Very high | 94.4 | Very high | 54 Ų | 54 | 50.3 Ų | 50.3 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 177.3 | -103.8 | -9.1 | 0 | 0 | 0 | 112 | S749 C752 E880 L881 F888 | S749-D884 WeakPolarHBondContact CA-OD2 3.1Å; S749-D884 VanDerWaalsContact CB-OD2 3.25Å; S749-D884 WeakPolarHBondContact CB-OD2 3.38Å; C752-D884 PolarHBondContact SG-O 3.29Å; C752-D884 PolarHBondContact SG-OD1 3.27Å; E880-D884 PolarHBondContact O-N 3.06Å; L881-D884 PolarHBondContact O-N 3.32Å; D884-F888 WeakPolarHBondContact O-CB 3.33Å; D884-F888 PolarHBondContact O-N 3.18Å |
| 885 | L | 96.9 | Very high | 95 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.7 | -40.8 | 176.4 | -66.1 | 174.6 | 0 | 0 | 0 | 112.9 | V714 F720 L751 V791 L881 F882 T883 F888 R889 | V714-L885 HydrophobicContact CG1-CD1 3.88Å; V714-L885 HydrophobicContact CG2-CD1 3.91Å; F720-L885 HydrophobicContact CE1-CD2 4.4Å; F720-L885 HydrophobicContact CE2-CD2 4.28Å; F720-L885 HydrophobicContact CZ-CD2 3.64Å; L751-L885 HydrophobicContact CD1-CD2 4.34Å; V791-L885 HydrophobicContact CG1-CB 3.78Å; L881-L885 HydrophobicContact CD1-CD1 4.46Å; L881-L885 HydrophobicContact CG-CD1 4.22Å; L881-L885 WeakPolarHBondContact O-CG 3.47Å; L881-L885 PolarHBondContact O-N 2.63Å; L881-L885 VanDerWaalsContact O-N 3.08Å; F882-L885 HydrophobicContact CD1-CD1 4.25Å; F882-L885 HydrophobicContact CE1-CD1 4.49Å; T883-L885 PolarHBondContact O-N 2.91Å; L885-F888 PolarHBondContact O-N 3.49Å; L885-R889 VanDerWaalsContact O-CB 3.29Å; L885-R889 WeakPolarHBondContact O-CB 3.3Å; L885-R889 PolarHBondContact O-N 3.08Å |
| 886 | S | 97.4 | Very high | 95.5 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 12% | 0.119 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -43 | 174.8 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | D792 F882 T883 S890 | D792-S886 WeakPolarHBondContact OD1-CB 3.29Å; D792-S886 PolarHBondContact OD1-OG 3.37Å; F882-S886 WeakPolarHBondContact O-CB 3.47Å; F882-S886 PolarHBondContact O-N 3.44Å; T883-S886 PolarHBondContact O-N 2.94Å; S886-S890 VanDerWaalsContact O-CB 3.3Å; S886-S890 WeakPolarHBondContact O-CB 3.4Å; S886-S890 PolarHBondContact O-N 3.01Å; S886-S890 PolarHBondContact O-OG 3.13Å |
| 887 | N | 96.8 | Very high | 95.7 | Very high | 77 Ų | 77 | 39 Ų | 39 | 41% | 0.412 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.8 | -49.1 | 172.5 | -77.5 | -36.9 | 0 | 0 | 0 | 111.1 | T883 S890 M891 | T883-N887 WeakPolarHBondContact CG2-ND2 3.35Å; T883-N887 VanDerWaalsContact O-CB 3.26Å; T883-N887 WeakPolarHBondContact O-CB 3.38Å; T883-N887 PolarHBondContact O-N 3.36Å; T883-N887 PolarHBondContact O-ND2 3.47Å; N887-S890 WeakPolarHBondContact O-CB 3.49Å; N887-S890 PolarHBondContact O-N 3.47Å; N887-M891 HydrophobicContact CB-CE 4.15Å; N887-M891 WeakPolarHBondContact O-CB 3.34Å; N887-M891 WeakPolarHBondContact O-CE 3.44Å; N887-M891 VanDerWaalsContact O-CG 3.26Å; N887-M891 WeakPolarHBondContact O-CG 3.47Å; N887-M891 PolarHBondContact O-N 2.92Å |
| 888 | F | 97.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 1% | 0.013 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.3 | -48 | 179.5 | 174.1 | -114.3 | 0 | 0 | 0 | 112.4 | F720 L723 L751 L754 L767 F784 D884 L885 S890 M891 F892 | F720-F888 HydrophobicContact CE2-CD1 4.47Å; F720-F888 HydrophobicContact CE2-CE1 4.31Å; L723-F888 HydrophobicContact CD2-CE1 3.71Å; L723-F888 HydrophobicContact CD2-CZ 3.8Å; L723-F888 HydrophobicContact CG-CZ 4.48Å; L751-F888 HydrophobicContact CB-CB 4.17Å; L751-F888 HydrophobicContact CB-CD1 4.1Å; L751-F888 HydrophobicContact CB-CD2 3.61Å; L751-F888 HydrophobicContact CB-CE1 4.41Å; L751-F888 HydrophobicContact CB-CE2 3.96Å; L751-F888 HydrophobicContact CB-CG 3.68Å; L751-F888 HydrophobicContact CB-CZ 4.34Å; L751-F888 HydrophobicContact CD1-CD1 3.91Å; L751-F888 HydrophobicContact CD1-CE1 4.09Å; L751-F888 HydrophobicContact CD1-CG 4.31Å; L751-F888 HydrophobicContact CD2-CE1 4.28Å; L751-F888 HydrophobicContact CD2-CE2 4.32Å; L751-F888 HydrophobicContact CD2-CZ 4.05Å; L751-F888 HydrophobicContact CG-CD1 4.48Å; L754-F888 HydrophobicContact CD1-CE2 4.07Å; L767-F888 HydrophobicContact CD1-CE2 3.77Å; F784-F888 HydrophobicContact CE2-CD1 4.13Å; F784-F888 AromaticContact CE2-CE1 3.8Å; F784-F888 HydrophobicContact CE2-CE1 3.8Å; F784-F888 HydrophobicContact CZ-CD1 4.45Å; F784-F888 AromaticContact CZ-CE1 3.87Å; F784-F888 HydrophobicContact CZ-CE1 3.87Å; F784-F888 HydrophobicContact CZ-CZ 4.47Å; D884-F888 WeakPolarHBondContact O-CB 3.33Å; D884-F888 PolarHBondContact O-N 3.18Å; L885-F888 PolarHBondContact O-N 3.49Å; F888-S890 VanDerWaalsContact C-N 3.28Å; F888-S890 PolarHBondContact O-N 3.02Å; F888-M891 PolarHBondContact O-N 2.85Å; F888-M891 VanDerWaalsContact O-N 3.15Å; F888-F892 HydrophobicContact CE2-CD2 4.34Å; F888-F892 AromaticContact CZ-CD2 4Å; F888-F892 HydrophobicContact CZ-CD2 4Å; F888-F892 WeakPolarHBondContact O-CB 3.33Å; F888-F892 PolarHBondContact O-N 3.43Å |
| 889 | R | 96.7 | Very high | 95.8 | Very high | 33 Ų | 33 | 41.2 Ų | 41.2 | 13% | 0.125 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.8 | -44.3 | 174.8 | 179.2 | 175.8 | 173.7 | -111.6 | 5.1 | 111.4 | V785 L788 D792 L885 T893 | V785-R889 HydrophobicContact CG1-CG 4.37Å; V785-R889 VanDerWaalsContact O-CZ 3.23Å; V785-R889 PolarHBondContact O-NE 3.42Å; V785-R889 PolarHBondContact O-NH2 3.43Å; L788-R889 PolarHBondContact O-NE 3.19Å; D792-R889 IonicContact OD1-NH1 2.72Å; D792-R889 PolarHBondContact OD1-NH1 3.07Å; D792-R889 IonicContact OD2-CZ 3.11Å; D792-R889 IonicContact OD2-NH1 2.65Å; D792-R889 PolarHBondContact OD2-NH1 2.67Å; L885-R889 VanDerWaalsContact O-CB 3.29Å; L885-R889 WeakPolarHBondContact O-CB 3.3Å; L885-R889 PolarHBondContact O-N 3.08Å; R889-T893 VanDerWaalsContact O-CB 3.29Å; R889-T893 WeakPolarHBondContact O-CB 3.1Å; R889-T893 PolarHBondContact O-N 2.81Å; R889-T893 PolarHBondContact O-OG1 3.45Å |
| 890 | S | 96.8 | Very high | 95.7 | Very high | 63 Ų | 63 | 44.4 Ų | 44.4 | 44% | 0.441 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.9 | -45.7 | 175.6 | -62.8 | 0 | 0 | 0 | 0 | 112.6 | S886 N887 F888 T893 Q894 | S886-S890 VanDerWaalsContact O-CB 3.3Å; S886-S890 WeakPolarHBondContact O-CB 3.4Å; S886-S890 PolarHBondContact O-N 3.01Å; S886-S890 PolarHBondContact O-OG 3.13Å; N887-S890 WeakPolarHBondContact O-CB 3.49Å; N887-S890 PolarHBondContact O-N 3.47Å; F888-S890 VanDerWaalsContact C-N 3.28Å; F888-S890 PolarHBondContact O-N 3.02Å; S890-T893 PolarHBondContact O-N 3.05Å; S890-Q894 WeakPolarHBondContact O-CB 3.28Å; S890-Q894 PolarHBondContact O-N 3.01Å |
| 891 | M | 96.9 | Very high | 95.5 | Very high | 40 Ų | 40 | 46 Ų | 46 | 20% | 0.197 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.9 | -37.9 | -179.7 | -69.9 | -177.2 | -63 | 0 | 0 | 112.6 | C752 K755 L767 N887 F888 Q894 A895 | C752-M891 HydrophobicContact CB-CE 3.98Å; K755-M891 HydrophobicContact CD-SD 3.55Å; K755-M891 VanDerWaalsContact CD-SD 3.55Å; K755-M891 PolarHBondContact NZ-SD 3.33Å; L767-M891 HydrophobicContact CD2-CB 3.83Å; N887-M891 HydrophobicContact CB-CE 4.15Å; N887-M891 WeakPolarHBondContact O-CB 3.34Å; N887-M891 WeakPolarHBondContact O-CE 3.44Å; N887-M891 VanDerWaalsContact O-CG 3.26Å; N887-M891 WeakPolarHBondContact O-CG 3.47Å; N887-M891 PolarHBondContact O-N 2.92Å; F888-M891 PolarHBondContact O-N 2.85Å; F888-M891 VanDerWaalsContact O-N 3.15Å; M891-Q894 PolarHBondContact O-N 3.17Å; M891-A895 WeakPolarHBondContact O-CB 3.35Å; M891-A895 PolarHBondContact O-N 3.02Å |
| 892 | F | 97.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.5 | -44.3 | 173.7 | -166.8 | -79.5 | 0 | 0 | 0 | 111.2 | L723 L767 A771 C774 L782 F784 V785 F888 Q894 A895 L896 | L723-F892 HydrophobicContact CD1-CE2 3.9Å; L723-F892 HydrophobicContact CD1-CZ 4.42Å; L723-F892 HydrophobicContact CD2-CD2 4.37Å; L723-F892 HydrophobicContact CD2-CE2 4.14Å; L767-F892 HydrophobicContact CD1-CB 4.39Å; L767-F892 HydrophobicContact CD1-CD2 3.8Å; A771-F892 HydrophobicContact CB-CE1 4.22Å; A771-F892 HydrophobicContact CB-CE2 4.17Å; A771-F892 HydrophobicContact CB-CZ 3.99Å; C774-F892 HydrophobicContact CB-CZ 4.13Å; L782-F892 HydrophobicContact CD2-CE1 3.89Å; L782-F892 HydrophobicContact CD2-CZ 4.3Å; F784-F892 AromaticContact CE1-CD1 3.58Å; F784-F892 HydrophobicContact CE1-CD1 3.58Å; F784-F892 HydrophobicContact CE1-CD2 4.21Å; F784-F892 AromaticContact CE1-CE1 3.72Å; F784-F892 HydrophobicContact CE1-CE1 3.72Å; F784-F892 HydrophobicContact CE1-CE2 4.34Å; F784-F892 AromaticContact CE1-CG 3.85Å; F784-F892 HydrophobicContact CE1-CG 3.85Å; F784-F892 HydrophobicContact CE1-CZ 4.09Å; F784-F892 HydrophobicContact CZ-CB 3.95Å; F784-F892 AromaticContact CZ-CD1 3.91Å; F784-F892 HydrophobicContact CZ-CD1 3.91Å; F784-F892 HydrophobicContact CZ-CD2 4.15Å; F784-F892 HydrophobicContact CZ-CE1 4.45Å; F784-F892 AromaticContact CZ-CG 3.74Å; F784-F892 HydrophobicContact CZ-CG 3.74Å; V785-F892 HydrophobicContact CG2-CD1 4.45Å; F888-F892 HydrophobicContact CE2-CD2 4.34Å; F888-F892 AromaticContact CZ-CD2 4Å; F888-F892 HydrophobicContact CZ-CD2 4Å; F888-F892 WeakPolarHBondContact O-CB 3.33Å; F888-F892 PolarHBondContact O-N 3.43Å; F892-Q894 VanDerWaalsContact C-N 3.27Å; F892-Q894 PolarHBondContact O-N 2.86Å; F892-A895 PolarHBondContact O-N 3.39Å; F892-A895 VanDerWaalsContact O-N 3.16Å; F892-L896 HydrophobicContact CD1-CD1 3.96Å; F892-L896 HydrophobicContact CD1-CG 4.21Å; F892-L896 HydrophobicContact CE1-CD1 3.89Å; F892-L896 HydrophobicContact CE1-CD2 4.33Å; F892-L896 HydrophobicContact CE1-CG 4.08Å; F892-L896 PolarHBondContact O-N 2.93Å |
| 893 | T | 96.1 | Very high | 94.6 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 20% | 0.202 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -34.1 | 175.5 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | V785 R889 S890 K897 | V785-T893 WeakPolarHBondContact CG1-OG1 3.45Å; R889-T893 VanDerWaalsContact O-CB 3.29Å; R889-T893 WeakPolarHBondContact O-CB 3.1Å; R889-T893 PolarHBondContact O-N 2.81Å; R889-T893 PolarHBondContact O-OG1 3.45Å; S890-T893 PolarHBondContact O-N 3.05Å; T893-K897 WeakPolarHBondContact O-CD 3.43Å; T893-K897 WeakPolarHBondContact O-CG 3.48Å; T893-K897 PolarHBondContact O-N 3.18Å |
| 894 | Q | 96.1 | Very high | 94.1 | Very high | 80 Ų | 80 | 55.7 Ų | 55.7 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.7 | -43.1 | 172.8 | -175.1 | 67.5 | 7.8 | 0 | 0 | 111.6 | S890 M891 F892 L896 K897 E898 | S890-Q894 WeakPolarHBondContact O-CB 3.28Å; S890-Q894 PolarHBondContact O-N 3.01Å; M891-Q894 PolarHBondContact O-N 3.17Å; F892-Q894 VanDerWaalsContact C-N 3.27Å; F892-Q894 PolarHBondContact O-N 2.86Å; Q894-L896 VanDerWaalsContact C-N 3.35Å; Q894-L896 PolarHBondContact O-N 3.31Å; Q894-K897 WeakPolarHBondContact O-CA 3.1Å; Q894-K897 WeakPolarHBondContact O-CB 3.37Å; Q894-K897 PolarHBondContact O-N 3.32Å; Q894-E898 HydrophobicContact CG-CG 4.47Å; Q894-E898 WeakPolarHBondContact CG-OE1 3.47Å; Q894-E898 PolarHBondContact NE2-OE1 2.9Å; Q894-E898 PolarHBondContact O-N 3Å |
| 895 | A | 96.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L767 A771 M891 F892 K897 E898 N899 | L767-A895 HydrophobicContact CD2-CB 4.47Å; L767-A895 HydrophobicContact CG-CB 4.12Å; A771-A895 HydrophobicContact CB-CB 4.11Å; M891-A895 WeakPolarHBondContact O-CB 3.35Å; M891-A895 PolarHBondContact O-N 3.02Å; F892-A895 PolarHBondContact O-N 3.39Å; F892-A895 VanDerWaalsContact O-N 3.16Å; A895-K897 VanDerWaalsContact C-N 3.33Å; A895-K897 PolarHBondContact O-N 3.11Å; A895-E898 PolarHBondContact O-N 2.97Å; A895-N899 WeakPolarHBondContact O-CB 3.46Å; A895-N899 VanDerWaalsContact O-CG 3.28Å; A895-N899 PolarHBondContact O-N 3.02Å |
| 896 | L | 94.5 | Very high | 92.9 | Very high | 33 Ų | 33 | 62 Ų | 62 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.6 | -44.3 | 171.1 | -70.5 | 170.1 | 0 | 0 | 0 | 112.3 | A771 E775 L782 F892 Q894 Y900 | A771-L896 HydrophobicContact CB-CD2 3.89Å; A771-L896 HydrophobicContact CB-CG 4.14Å; A771-L896 WeakPolarHBondContact O-CD2 3.19Å; E775-L896 HydrophobicContact CB-CD2 4.43Å; L782-L896 HydrophobicContact CD2-CD1 4.19Å; L782-L896 HydrophobicContact CD2-CD2 3.96Å; F892-L896 HydrophobicContact CD1-CD1 3.96Å; F892-L896 HydrophobicContact CD1-CG 4.21Å; F892-L896 HydrophobicContact CE1-CD1 3.89Å; F892-L896 HydrophobicContact CE1-CD2 4.33Å; F892-L896 HydrophobicContact CE1-CG 4.08Å; F892-L896 PolarHBondContact O-N 2.93Å; Q894-L896 VanDerWaalsContact C-N 3.35Å; Q894-L896 PolarHBondContact O-N 3.31Å; L896-Y900 PolarHBondContact O-N 3.34Å |
| 897 | K | 94.1 | Very high | 92.2 | Very high | 108 Ų | 108 | 64.5 Ų | 64.5 | 47% | 0.47 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.6 | -33.8 | 179.6 | -68 | 166.6 | -174.2 | 171.5 | 0 | 112.2 | T893 Q894 A895 R901 | T893-K897 WeakPolarHBondContact O-CD 3.43Å; T893-K897 WeakPolarHBondContact O-CG 3.48Å; T893-K897 PolarHBondContact O-N 3.18Å; Q894-K897 WeakPolarHBondContact O-CA 3.1Å; Q894-K897 WeakPolarHBondContact O-CB 3.37Å; Q894-K897 PolarHBondContact O-N 3.32Å; A895-K897 VanDerWaalsContact C-N 3.33Å; A895-K897 PolarHBondContact O-N 3.11Å; K897-R901 WeakPolarHBondContact O-CG 3.39Å; K897-R901 PolarHBondContact O-N 3.46Å |
| 898 | E | 93.2 | Very high | 91.5 | Very high | 81 Ų | 81 | 65.6 Ų | 65.6 | 38% | 0.379 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -74.1 | -43.5 | 176.6 | -72.1 | 179.8 | -163.3 | 0 | 0 | 111.3 | H768 Q894 A895 Y900 R901 Q902 | H768-E898 IonicContact CE1-OE2 2.61Å; H768-E898 IonicContact NE2-OE2 3.87Å; H768-E898 PolarHBondContact NE2-OE2 3.02Å; Q894-E898 HydrophobicContact CG-CG 4.47Å; Q894-E898 WeakPolarHBondContact CG-OE1 3.47Å; Q894-E898 PolarHBondContact NE2-OE1 2.9Å; Q894-E898 PolarHBondContact O-N 3Å; A895-E898 PolarHBondContact O-N 2.97Å; E898-Y900 VanDerWaalsContact C-N 3.32Å; E898-Y900 PolarHBondContact O-N 2.87Å; E898-R901 PolarHBondContact O-N 2.9Å; E898-Q902 WeakPolarHBondContact O-CB 3.05Å; E898-Q902 PolarHBondContact O-N 2.71Å |
| 899 | N | 93.1 | Very high | 90.8 | Very high | 13 Ų | 13 | 69.3 Ų | 69.3 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.5 | -40.8 | 171.1 | -70.9 | -8.4 | 0 | 0 | 0 | 112.7 | H768 E772 A895 R903 | H768-N899 PolarHBondContact CD2-OD1 3.15Å; H768-N899 VanDerWaalsContact CD2-OD1 3.27Å; H768-N899 PolarHBondContact O-ND2 3.47Å; E772-N899 PolarHBondContact N-ND2 2.97Å; A895-N899 WeakPolarHBondContact O-CB 3.46Å; A895-N899 VanDerWaalsContact O-CG 3.28Å; A895-N899 PolarHBondContact O-N 3.02Å; N899-R903 WeakPolarHBondContact O-CG 3.21Å; N899-R903 PolarHBondContact O-N 2.92Å; N899-R903 VanDerWaalsContact O-N 3.14Å; N899-R903 PolarHBondContact O-NE 2.93Å |
| 900 | Y | 91.4 | Very high | 90.2 | Very high | 119 Ų | 119 | 74.9 Ų | 74.9 | 47% | 0.467 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.2 | -49.8 | 175.7 | -177.5 | -91.6 | 0 | 0 | 0 | 112 | L896 E898 Q902 R903 E904 | L896-Y900 PolarHBondContact O-N 3.34Å; E898-Y900 VanDerWaalsContact C-N 3.32Å; E898-Y900 PolarHBondContact O-N 2.87Å; Y900-Q902 VanDerWaalsContact C-N 3.32Å; Y900-Q902 PolarHBondContact O-N 3.36Å; Y900-R903 PolarHBondContact O-N 2.79Å; Y900-E904 PolarHBondContact O-N 3.33Å |
| 901 | R | 89.3 | Confident | 89.4 | Confident | 137 Ų | 137 | 79 Ų | 79 | 52% | 0.517 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 177.6 | -71.1 | 175.8 | -169.7 | 128.6 | -3.6 | 112.3 | K897 E898 E904 L905 | K897-R901 WeakPolarHBondContact O-CG 3.39Å; K897-R901 PolarHBondContact O-N 3.46Å; E898-R901 PolarHBondContact O-N 2.9Å; R901-E904 PolarHBondContact O-N 3.25Å; R901-L905 WeakPolarHBondContact O-CB 3.31Å; R901-L905 PolarHBondContact O-N 3.33Å |
| 902 | Q | 87.6 | Confident | 88.6 | Confident | 89 Ų | 89 | 79.9 Ų | 79.9 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | -179.8 | -174.1 | 61.4 | 20.7 | 0 | 0 | 111 | E898 Y900 L905 E906 | E898-Q902 WeakPolarHBondContact O-CB 3.05Å; E898-Q902 PolarHBondContact O-N 2.71Å; Y900-Q902 VanDerWaalsContact C-N 3.32Å; Y900-Q902 PolarHBondContact O-N 3.36Å; Q902-L905 PolarHBondContact O-N 3.45Å; Q902-E906 PolarHBondContact NE2-OE1 2.88Å; Q902-E906 WeakPolarHBondContact O-CB 3.41Å; Q902-E906 WeakPolarHBondContact O-CG 3.26Å; Q902-E906 PolarHBondContact O-N 3.42Å |
| 903 | R | 86.5 | Confident | 87.7 | Confident | 77 Ų | 77 | 88 Ų | 88 | 29% | 0.291 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 175.5 | -68.7 | 177.1 | -62.3 | 173.7 | 3.6 | 112.6 | E775 N899 Y900 E906 E907 | E775-R903 VanDerWaalsContact CD-NH2 3.35Å; E775-R903 IonicContact OE1-NH2 3.17Å; E775-R903 PolarHBondContact OE1-NH2 3.5Å; E775-R903 IonicContact OE2-CZ 3.51Å; E775-R903 IonicContact OE2-NH1 2.6Å; E775-R903 PolarHBondContact OE2-NH1 3.45Å; E775-R903 IonicContact OE2-NH2 2.78Å; E775-R903 PolarHBondContact OE2-NH2 3.47Å; N899-R903 WeakPolarHBondContact O-CG 3.21Å; N899-R903 PolarHBondContact O-N 2.92Å; N899-R903 VanDerWaalsContact O-N 3.14Å; N899-R903 PolarHBondContact O-NE 2.93Å; Y900-R903 PolarHBondContact O-N 2.79Å; R903-E906 PolarHBondContact O-N 2.76Å; R903-E907 PolarHBondContact O-N 2.83Å |
| 904 | E | 86.4 | Confident | 86.9 | Confident | 105 Ų | 105 | 89 Ų | 89 | 49% | 0.491 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 174.5 | -173.4 | 169.9 | -147.2 | 0 | 0 | 111.9 | Y900 R901 E907 K908 | Y900-E904 PolarHBondContact O-N 3.33Å; R901-E904 PolarHBondContact O-N 3.25Å; E904-E907 PolarHBondContact O-N 2.92Å; E904-K908 WeakPolarHBondContact O-CB 3.46Å; E904-K908 PolarHBondContact O-N 3.28Å |
| 905 | L | 82.6 | Confident | 86.1 | Confident | 84 Ų | 84 | 88 Ų | 88 | 44% | 0.44 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 176 | 177.4 | 60.4 | 0 | 0 | 0 | 112.3 | R901 Q902 E907 K908 Q909 | R901-L905 WeakPolarHBondContact O-CB 3.31Å; R901-L905 PolarHBondContact O-N 3.33Å; Q902-L905 PolarHBondContact O-N 3.45Å; L905-E907 VanDerWaalsContact C-N 3.34Å; L905-K908 PolarHBondContact O-N 3.05Å; L905-Q909 WeakPolarHBondContact O-CG 3.33Å; L905-Q909 PolarHBondContact O-N 2.8Å |
| 906 | E | 84.7 | Confident | 85.1 | Confident | 107 Ų | 107 | 95.1 Ų | 95.1 | 50% | 0.5 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 177.7 | -75.1 | -178.2 | -169.1 | 0 | 0 | 111.7 | Q902 R903 Q909 R910 | Q902-E906 PolarHBondContact NE2-OE1 2.88Å; Q902-E906 WeakPolarHBondContact O-CB 3.41Å; Q902-E906 WeakPolarHBondContact O-CG 3.26Å; Q902-E906 PolarHBondContact O-N 3.42Å; R903-E906 PolarHBondContact O-N 2.76Å; E906-Q909 PolarHBondContact O-N 2.84Å; E906-R910 WeakPolarHBondContact O-CB 3.43Å; E906-R910 PolarHBondContact O-N 2.88Å |
| 907 | E | 83 | Confident | 84.4 | Confident | 70 Ų | 70 | 98.5 Ų | 98.5 | 33% | 0.327 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71 | -38 | 173.6 | -137.9 | -145.1 | 145.4 | 0 | 0 | 112.8 | R903 E904 L905 Q909 R910 R911 | R903-E907 PolarHBondContact O-N 2.83Å; E904-E907 PolarHBondContact O-N 2.92Å; L905-E907 VanDerWaalsContact C-N 3.34Å; E907-Q909 VanDerWaalsContact C-N 3.32Å; E907-Q909 PolarHBondContact O-N 3.24Å; E907-R910 PolarHBondContact O-N 3.38Å; E907-R910 IonicContact OE1-CZ 3.37Å; E907-R910 IonicContact OE1-NH2 3.47Å; E907-R910 PolarHBondContact OE1-NH2 3.06Å; E907-R911 VanDerWaalsContact CD-NE 3.28Å; E907-R911 WeakPolarHBondContact O-CB 3.34Å; E907-R911 VanDerWaalsContact O-CG 3.29Å; E907-R911 WeakPolarHBondContact O-CG 3.42Å; E907-R911 PolarHBondContact O-N 2.95Å; E907-R911 IonicContact OE1-CZ 2.68Å; E907-R911 VanDerWaalsContact OE1-CZ 3.3Å; E907-R911 IonicContact OE1-NE 2.7Å; E907-R911 PolarHBondContact OE1-NE 3.36Å; E907-R911 IonicContact OE1-NH2 3.28Å; E907-R911 PolarHBondContact OE1-NH2 3.49Å; E907-R911 IonicContact OE2-CZ 2.74Å; E907-R911 IonicContact OE2-NE 2.7Å; E907-R911 IonicContact OE2-NH2 2.73Å; E907-R911 PolarHBondContact OE2-NH2 3.33Å |
| 908 | K | 82.2 | Confident | 83.5 | Confident | 99 Ų | 99 | 99.1 Ų | 99.1 | 43% | 0.43 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.6 | -46.4 | 171.9 | -169.8 | 177.6 | -177.1 | -179 | 0 | 110.3 | S284 E904 L905 R911 A912 | S284-K908 WeakPolarHBondContact O-CE 3.38Å; S284-K908 PolarHBondContact O-NZ 2.65Å; E904-K908 WeakPolarHBondContact O-CB 3.46Å; E904-K908 PolarHBondContact O-N 3.28Å; L905-K908 PolarHBondContact O-N 3.05Å; K908-R911 PolarHBondContact O-N 2.61Å; K908-A912 WeakPolarHBondContact O-CB 3Å; K908-A912 PolarHBondContact O-N 3.11Å |
| 909 | Q | 81.6 | Confident | 82.5 | Confident | 82 Ų | 82 | 98.2 Ų | 98.2 | 38% | 0.383 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 175.3 | -72.4 | -172.6 | 40.6 | 0 | 0 | 113.1 | L905 E906 E907 A912 R913 | L905-Q909 WeakPolarHBondContact O-CG 3.33Å; L905-Q909 PolarHBondContact O-N 2.8Å; E906-Q909 PolarHBondContact O-N 2.84Å; E907-Q909 VanDerWaalsContact C-N 3.32Å; E907-Q909 PolarHBondContact O-N 3.24Å; Q909-A912 PolarHBondContact O-N 2.96Å; Q909-R913 VanDerWaalsContact O-CG 3.32Å; Q909-R913 WeakPolarHBondContact O-CG 3.47Å; Q909-R913 PolarHBondContact O-N 3.33Å; Q909-R913 VanDerWaalsContact OE1-NH2 3.09Å |
| 910 | R | 84.2 | Confident | 81.5 | Confident | 149 Ų | 149 | 102.7 Ų | 102.7 | 56% | 0.562 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.3 | -44.6 | 177.3 | -172.4 | -172 | 70.1 | 83.2 | -0.6 | 111.4 | E906 E907 A914 | E906-R910 WeakPolarHBondContact O-CB 3.43Å; E906-R910 PolarHBondContact O-N 2.88Å; E907-R910 PolarHBondContact O-N 3.38Å; E907-R910 IonicContact OE1-CZ 3.37Å; E907-R910 IonicContact OE1-NH2 3.47Å; E907-R910 PolarHBondContact OE1-NH2 3.06Å; R910-A914 WeakPolarHBondContact O-CB 3.2Å; R910-A914 PolarHBondContact O-N 3.31Å; R910-A914 VanDerWaalsContact O-N 3.1Å |
| 911 | R | 80.1 | Confident | 80.6 | Confident | 150 Ų | 150 | 102.9 Ų | 102.9 | 57% | 0.566 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.3 | -46.1 | 176.5 | -69.7 | 175.3 | -173.9 | -166.9 | 10.2 | 111.3 | E907 K908 R913 A914 A915 | E907-R911 VanDerWaalsContact CD-NE 3.28Å; E907-R911 WeakPolarHBondContact O-CB 3.34Å; E907-R911 VanDerWaalsContact O-CG 3.29Å; E907-R911 WeakPolarHBondContact O-CG 3.42Å; E907-R911 PolarHBondContact O-N 2.95Å; E907-R911 IonicContact OE1-CZ 2.68Å; E907-R911 VanDerWaalsContact OE1-CZ 3.3Å; E907-R911 IonicContact OE1-NE 2.7Å; E907-R911 PolarHBondContact OE1-NE 3.36Å; E907-R911 IonicContact OE1-NH2 3.28Å; E907-R911 PolarHBondContact OE1-NH2 3.49Å; E907-R911 IonicContact OE2-CZ 2.74Å; E907-R911 IonicContact OE2-NE 2.7Å; E907-R911 IonicContact OE2-NH2 2.73Å; E907-R911 PolarHBondContact OE2-NH2 3.33Å; K908-R911 PolarHBondContact O-N 2.61Å; R911-R913 PolarHBondContact O-N 2.89Å; R911-A914 PolarHBondContact O-N 2.88Å; R911-A915 WeakPolarHBondContact O-CB 3.36Å; R911-A915 PolarHBondContact O-N 3.47Å |
| 912 | A | 79.7 | Confident | 79.7 | Confident | 58 Ų | 58 | 99.5 Ų | 99.5 | 48% | 0.479 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61 | -43 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K908 Q909 A915 K916 | K908-A912 WeakPolarHBondContact O-CB 3Å; K908-A912 PolarHBondContact O-N 3.11Å; Q909-A912 PolarHBondContact O-N 2.96Å; A912-A915 PolarHBondContact O-N 3.44Å; A912-K916 WeakPolarHBondContact O-CB 3.29Å; A912-K916 PolarHBondContact O-N 3.47Å |
| 913 | R | 79.1 | Confident | 78.8 | Confident | 171 Ų | 171 | 100.9 Ų | 100.9 | 65% | 0.645 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 175.2 | -70 | 177.1 | -161.1 | -172.4 | 10 | 111.9 | Q909 R911 K916 E917 | Q909-R913 VanDerWaalsContact O-CG 3.32Å; Q909-R913 WeakPolarHBondContact O-CG 3.47Å; Q909-R913 PolarHBondContact O-N 3.33Å; Q909-R913 VanDerWaalsContact OE1-NH2 3.09Å; R911-R913 PolarHBondContact O-N 2.89Å; R913-K916 PolarHBondContact O-N 2.94Å; R913-E917 WeakPolarHBondContact O-CB 3.5Å; R913-E917 PolarHBondContact O-N 3.35Å |
| 914 | A | 80.3 | Confident | 78 | Confident | 54 Ų | 54 | 101.9 Ų | 101.9 | 45% | 0.446 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R910 R911 K918 | R910-A914 WeakPolarHBondContact O-CB 3.2Å; R910-A914 PolarHBondContact O-N 3.31Å; R910-A914 VanDerWaalsContact O-N 3.1Å; R911-A914 PolarHBondContact O-N 2.88Å; A914-K918 WeakPolarHBondContact O-CB 3.17Å; A914-K918 PolarHBondContact O-N 3.36Å |
| 915 | A | 77.5 | Confident | 77.2 | Confident | 60 Ų | 60 | 101.2 Ų | 101.2 | 50% | 0.496 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64 | -47.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R911 A912 K918 A919 | R911-A915 WeakPolarHBondContact O-CB 3.36Å; R911-A915 PolarHBondContact O-N 3.47Å; A912-A915 PolarHBondContact O-N 3.44Å; A915-K918 PolarHBondContact O-N 2.89Å; A915-A919 WeakPolarHBondContact O-CB 3.46Å; A915-A919 PolarHBondContact O-N 3.16Å |
| 916 | K | 76.3 | Confident | 76.2 | Confident | 151 Ų | 151 | 102.8 Ų | 102.8 | 66% | 0.657 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.7 | -46.4 | 176.7 | -175.9 | 170.1 | -179.6 | 170.7 | 0 | 112.4 | A912 R913 K918 A919 E920 | A912-K916 WeakPolarHBondContact O-CB 3.29Å; A912-K916 PolarHBondContact O-N 3.47Å; R913-K916 PolarHBondContact O-N 2.94Å; K916-K918 VanDerWaalsContact C-N 3.3Å; K916-K918 PolarHBondContact O-N 2.92Å; K916-A919 PolarHBondContact O-N 3.14Å; K916-E920 WeakPolarHBondContact O-CB 3.38Å; K916-E920 PolarHBondContact O-N 2.85Å |
| 917 | E | 78.8 | Confident | 75 | Confident | 105 Ų | 105 | 100.9 Ų | 100.9 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.9 | -36 | 177.3 | -164.3 | -152.5 | 115.8 | 0 | 0 | 112.2 | R913 R921 | R913-E917 WeakPolarHBondContact O-CB 3.5Å; R913-E917 PolarHBondContact O-N 3.35Å; E917-R921 VanDerWaalsContact O-CB 3.27Å; E917-R921 WeakPolarHBondContact O-CB 3.41Å; E917-R921 PolarHBondContact O-N 2.89Å; E917-R921 PolarHBondContact O-NH1 2.84Å; E917-R921 IonicContact OE1-CZ 3.82Å; E917-R921 IonicContact OE1-NH1 3.39Å; E917-R921 PolarHBondContact OE1-NH1 2.67Å; E917-R921 IonicContact OE1-NH2 2.69Å; E917-R921 PolarHBondContact OE1-NH2 2.99Å |
| 918 | K | 76.5 | Confident | 74 | Confident | 120 Ų | 120 | 102.3 Ų | 102.3 | 52% | 0.522 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.8 | -45.5 | 173.6 | -178.1 | 178 | 176.1 | -65.9 | 0 | 111.9 | A914 A915 K916 R921 E922 | A914-K918 WeakPolarHBondContact O-CB 3.17Å; A914-K918 PolarHBondContact O-N 3.36Å; A915-K918 PolarHBondContact O-N 2.89Å; K916-K918 VanDerWaalsContact C-N 3.3Å; K916-K918 PolarHBondContact O-N 2.92Å; K918-R921 PolarHBondContact O-N 2.77Å; K918-E922 IonicContact NZ-OE1 3.56Å; K918-E922 PolarHBondContact NZ-OE1 3.18Å; K918-E922 PolarHBondContact O-N 2.84Å |
| 919 | A | 71.9 | Confident | 73 | Confident | 62 Ų | 62 | 102.4 Ų | 102.4 | 51% | 0.512 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A915 K916 E922 K923 | A915-A919 WeakPolarHBondContact O-CB 3.46Å; A915-A919 PolarHBondContact O-N 3.16Å; K916-A919 PolarHBondContact O-N 3.14Å; A919-E922 PolarHBondContact O-N 2.72Å; A919-K923 PolarHBondContact O-N 2.81Å |
| 920 | E | 71.6 | Confident | 71.8 | Confident | 107 Ų | 107 | 103.1 Ų | 103.1 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 176.2 | -170.3 | 172 | 170.5 | 0 | 0 | 111.7 | K916 E922 K923 Q924 | K916-E920 WeakPolarHBondContact O-CB 3.38Å; K916-E920 PolarHBondContact O-N 2.85Å; E920-E922 PolarHBondContact O-N 3.46Å; E920-K923 PolarHBondContact O-N 2.74Å; E920-Q924 WeakPolarHBondContact O-CG 3.45Å; E920-Q924 PolarHBondContact O-N 3.1Å |
| 921 | R | 73.1 | Confident | 70.5 | Confident | 123 Ų | 123 | 103 Ų | 103 | 46% | 0.464 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 173.1 | -177.5 | 179.6 | -73.3 | 107.2 | -7.9 | 112.5 | E917 K918 Q924 E925 | E917-R921 VanDerWaalsContact O-CB 3.27Å; E917-R921 WeakPolarHBondContact O-CB 3.41Å; E917-R921 PolarHBondContact O-N 2.89Å; E917-R921 PolarHBondContact O-NH1 2.84Å; E917-R921 IonicContact OE1-CZ 3.82Å; E917-R921 IonicContact OE1-NH1 3.39Å; E917-R921 PolarHBondContact OE1-NH1 2.67Å; E917-R921 IonicContact OE1-NH2 2.69Å; E917-R921 PolarHBondContact OE1-NH2 2.99Å; K918-R921 PolarHBondContact O-N 2.77Å; R921-Q924 PolarHBondContact O-N 2.98Å; R921-E925 PolarHBondContact O-N 3.18Å |
| 922 | E | 70.6 | Confident | 69.5 | Low | 67 Ų | 67 | 102.7 Ų | 102.7 | 31% | 0.313 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.4 | -34.8 | 176.3 | -75.4 | -167 | -126.6 | 0 | 0 | 112.8 | K918 A919 E920 E925 R926 R963 | K918-E922 IonicContact NZ-OE1 3.56Å; K918-E922 PolarHBondContact NZ-OE1 3.18Å; K918-E922 PolarHBondContact O-N 2.84Å; A919-E922 PolarHBondContact O-N 2.72Å; E920-E922 PolarHBondContact O-N 3.46Å; E922-E925 PolarHBondContact O-N 3.05Å; E922-R926 PolarHBondContact O-N 2.83Å; E922-R963 IonicContact OE2-NH1 3.81Å; E922-R963 PolarHBondContact OE2-NH1 3.02Å; E922-R963 VanDerWaalsContact OE2-NH1 3.09Å |
| 923 | K | 68.7 | Low | 68.3 | Low | 117 Ų | 117 | 105.5 Ų | 105.5 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 171.3 | -174.8 | 171.1 | -177.9 | 171.7 | 0 | 111.4 | A919 E920 E925 R926 Q927 | A919-K923 PolarHBondContact O-N 2.81Å; E920-K923 PolarHBondContact O-N 2.74Å; K923-E925 VanDerWaalsContact C-N 3.34Å; K923-E925 PolarHBondContact O-N 3.11Å; K923-R926 PolarHBondContact O-N 2.98Å; K923-Q927 WeakPolarHBondContact O-CG 3.31Å; K923-Q927 PolarHBondContact O-N 2.8Å |
| 924 | Q | 68.4 | Low | 67 | Low | 98 Ų | 98 | 100.4 Ų | 100.4 | 46% | 0.458 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 175.5 | -70 | 175.2 | 15.3 | 0 | 0 | 111.8 | E920 R921 Q927 Q928 | E920-Q924 WeakPolarHBondContact O-CG 3.45Å; E920-Q924 PolarHBondContact O-N 3.1Å; R921-Q924 PolarHBondContact O-N 2.98Å; Q924-Q927 PolarHBondContact O-N 3.29Å; Q924-Q928 WeakPolarHBondContact O-CB 3.36Å; Q924-Q928 WeakPolarHBondContact O-CG 3.47Å; Q924-Q928 PolarHBondContact O-N 2.91Å |
| 925 | E | 70.8 | Confident | 65.6 | Low | 92 Ų | 92 | 102.6 Ų | 102.6 | 43% | 0.43 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 174 | -87.7 | -161.6 | -135.9 | 0 | 0 | 113.2 | R921 E922 K923 K929 | R921-E925 PolarHBondContact O-N 3.18Å; E922-E925 PolarHBondContact O-N 3.05Å; K923-E925 VanDerWaalsContact C-N 3.34Å; K923-E925 PolarHBondContact O-N 3.11Å; E925-K929 WeakPolarHBondContact O-CB 3.43Å; E925-K929 VanDerWaalsContact O-CD 3.31Å; E925-K929 WeakPolarHBondContact O-CD 3.35Å; E925-K929 VanDerWaalsContact O-CG 3.24Å; E925-K929 WeakPolarHBondContact O-CG 3.31Å; E925-K929 PolarHBondContact O-N 3.02Å; E925-K929 IonicContact OE2-NZ 2.73Å; E925-K929 PolarHBondContact OE2-NZ 3.15Å |
| 926 | R | 60.9 | Low | 64.2 | Low | 116 Ų | 116 | 105.4 Ų | 105.4 | 44% | 0.438 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.9 | -50.1 | 173.5 | -83.8 | 177.5 | 158.4 | 168.7 | -5.9 | 110.7 | E922 K923 Q928 K929 K930 E961 | E922-R926 PolarHBondContact O-N 2.83Å; K923-R926 PolarHBondContact O-N 2.98Å; R926-Q928 PolarHBondContact O-N 3.33Å; R926-K929 PolarHBondContact O-N 3.16Å; R926-K929 VanDerWaalsContact O-N 3.13Å; R926-K930 PolarHBondContact O-N 3.43Å; R926-E961 IonicContact CZ-OE1 3.43Å; R926-E961 IonicContact NE-OE1 3.44Å; R926-E961 PolarHBondContact NE-OE1 3.2Å; R926-E961 IonicContact NH2-OE1 2.76Å; R926-E961 PolarHBondContact NH2-OE1 2.92Å |
| 927 | Q | 58.9 | Low | 62.7 | Low | 68 Ų | 68 | 101.2 Ų | 101.2 | 32% | 0.318 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | -179.8 | -70.4 | -178.9 | -23.2 | 0 | 0 | 112.7 | K923 Q924 K929 K930 R931 | K923-Q927 WeakPolarHBondContact O-CG 3.31Å; K923-Q927 PolarHBondContact O-N 2.8Å; Q924-Q927 PolarHBondContact O-N 3.29Å; Q927-K929 VanDerWaalsContact C-N 3.32Å; Q927-K929 PolarHBondContact O-N 3.13Å; Q927-K930 PolarHBondContact O-N 3.37Å; Q927-R931 WeakPolarHBondContact O-CG 3.24Å; Q927-R931 PolarHBondContact O-N 3.5Å |
| 928 | Q | 63 | Low | 61.1 | Low | 99 Ų | 99 | 98.7 Ų | 98.7 | 46% | 0.463 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.4 | -33.3 | 172.8 | -76.1 | -168.9 | 22.2 | 0 | 0 | 113.3 | Q924 R926 R932 | Q924-Q928 WeakPolarHBondContact O-CB 3.36Å; Q924-Q928 WeakPolarHBondContact O-CG 3.47Å; Q924-Q928 PolarHBondContact O-N 2.91Å; R926-Q928 PolarHBondContact O-N 3.33Å; Q928-R932 VanDerWaalsContact O-CG 3.3Å; Q928-R932 WeakPolarHBondContact O-CG 3.44Å; Q928-R932 PolarHBondContact O-N 2.94Å |
| 929 | K | 61.4 | Low | 59.5 | Low | 101 Ų | 101 | 101 Ų | 101 | 44% | 0.439 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -74.5 | -36.9 | 176.6 | -70.7 | 161.6 | -166.6 | 161.5 | 0 | 111.6 | E925 R926 Q927 R932 L933 | E925-K929 WeakPolarHBondContact O-CB 3.43Å; E925-K929 VanDerWaalsContact O-CD 3.31Å; E925-K929 WeakPolarHBondContact O-CD 3.35Å; E925-K929 VanDerWaalsContact O-CG 3.24Å; E925-K929 WeakPolarHBondContact O-CG 3.31Å; E925-K929 PolarHBondContact O-N 3.02Å; E925-K929 IonicContact OE2-NZ 2.73Å; E925-K929 PolarHBondContact OE2-NZ 3.15Å; R926-K929 PolarHBondContact O-N 3.16Å; R926-K929 VanDerWaalsContact O-N 3.13Å; Q927-K929 VanDerWaalsContact C-N 3.32Å; Q927-K929 PolarHBondContact O-N 3.13Å; K929-R932 PolarHBondContact O-N 3.01Å; K929-L933 PolarHBondContact O-N 3.37Å |
| 930 | K | 56.3 | Low | 58.4 | Low | 98 Ų | 98 | 104.9 Ų | 104.9 | 43% | 0.426 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.1 | -49.9 | 170.2 | -155.9 | 175.7 | -168.7 | 178.9 | 0 | 109.9 | S223 D225 R926 Q927 L933 | S223-K930 PolarHBondContact O-NZ 3.29Å; D225-K930 IonicContact OD1-NZ 2.62Å; D225-K930 PolarHBondContact OD1-NZ 2.84Å; R926-K930 PolarHBondContact O-N 3.43Å; Q927-K930 PolarHBondContact O-N 3.37Å; K930-L933 PolarHBondContact O-N 3.48Å |
| 931 | R | 57.3 | Low | 57.5 | Low | 145 Ų | 145 | 102.3 Ų | 102.3 | 55% | 0.547 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 175.9 | -72.1 | -179.1 | -175.6 | -117.7 | -4 | 113.5 | Q927 L933 L934 E935 | Q927-R931 WeakPolarHBondContact O-CG 3.24Å; Q927-R931 PolarHBondContact O-N 3.5Å; R931-L933 VanDerWaalsContact C-N 3.28Å; R931-L933 PolarHBondContact O-N 3.11Å; R931-L934 CarbonylContact O-C 3.3Å; R931-L934 WeakPolarHBondContact O-CA 3.36Å; R931-L934 WeakPolarHBondContact O-CB 3.42Å; R931-L934 PolarHBondContact O-N 3.47Å; R931-E935 WeakPolarHBondContact O-CG 3.42Å; R931-E935 PolarHBondContact O-N 2.75Å |
| 932 | R | 58.7 | Low | 57 | Low | 145 Ų | 145 | 102.4 Ų | 102.4 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.5 | -29.5 | 179.2 | -72.9 | 179.4 | -140.9 | -150.5 | 5.5 | 114.2 | Q928 K929 L934 V936 | Q928-R932 VanDerWaalsContact O-CG 3.3Å; Q928-R932 WeakPolarHBondContact O-CG 3.44Å; Q928-R932 PolarHBondContact O-N 2.94Å; K929-R932 PolarHBondContact O-N 3.01Å; R932-L934 PolarHBondContact O-N 2.94Å; R932-V936 WeakPolarHBondContact O-CB 3.27Å; R932-V936 WeakPolarHBondContact O-CG2 3.45Å; R932-V936 PolarHBondContact O-N 3.2Å |
| 933 | L | 54.6 | Low | 56.8 | Low | 117 Ų | 117 | 99.4 Ų | 99.4 | 61% | 0.613 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.7 | -21.9 | 172.8 | -77 | 166.7 | 0 | 0 | 0 | 113 | K929 K930 R931 N937 | K929-L933 PolarHBondContact O-N 3.37Å; K930-L933 PolarHBondContact O-N 3.48Å; R931-L933 VanDerWaalsContact C-N 3.28Å; R931-L933 PolarHBondContact O-N 3.11Å; L933-N937 PolarHBondContact O-ND2 3.01Å; L933-N937 VanDerWaalsContact O-ND2 3.1Å |
| 934 | L | 52.2 | Low | 57 | Low | 64 Ų | 64 | 93.9 Ų | 93.9 | 34% | 0.335 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -90 | -43.5 | 174.3 | -56.1 | 170.4 | 0 | 0 | 0 | 110.8 | V170 R931 R932 N937 | V170-L934 HydrophobicContact CB-CD2 4.29Å; V170-L934 HydrophobicContact CG1-CD2 4.19Å; V170-L934 HydrophobicContact CG2-CD2 4.05Å; R931-L934 CarbonylContact O-C 3.3Å; R931-L934 WeakPolarHBondContact O-CA 3.36Å; R931-L934 WeakPolarHBondContact O-CB 3.42Å; R931-L934 PolarHBondContact O-N 3.47Å; R932-L934 PolarHBondContact O-N 2.94Å; L934-N937 PolarHBondContact O-N 2.75Å |
| 935 | E | 50.6 | Low | 57.5 | Low | 99 Ų | 99 | 90.1 Ų | 90.1 | 46% | 0.463 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.4 | -34.7 | -178.1 | -68.6 | 161.9 | 167 | 0 | 0 | 113.3 | R931 N937 A938 | R931-E935 WeakPolarHBondContact O-CG 3.42Å; R931-E935 PolarHBondContact O-N 2.75Å; E935-N937 PolarHBondContact O-N 2.9Å; E935-A938 WeakPolarHBondContact O-CB 3.29Å; E935-A938 PolarHBondContact O-N 2.66Å |
| 936 | V | 47.6 | Very low | 58.1 | Low | 120 Ų | 120 | 85.9 Ų | 85.9 | 73% | 0.727 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.2 | 175.6 | 167 | 0 | 0 | 0 | 0 | 112.4 | R932 | R932-V936 WeakPolarHBondContact O-CB 3.27Å; R932-V936 WeakPolarHBondContact O-CG2 3.45Å; R932-V936 PolarHBondContact O-N 3.2Å |
| 937 | N | 44.2 | Very low | 59.1 | Low | 63 Ų | 63 | 82.4 Ų | 82.4 | 34% | 0.337 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 0.7 | 172.6 | -59.1 | -38.9 | 0 | 0 | 0 | 113.2 | L933 L934 E935 | L933-N937 PolarHBondContact O-ND2 3.01Å; L933-N937 VanDerWaalsContact O-ND2 3.1Å; L934-N937 PolarHBondContact O-N 2.75Å; E935-N937 PolarHBondContact O-N 2.9Å |
| 938 | A | 45.1 | Very low | 60.2 | Low | 51 Ų | 51 | 81.2 Ų | 81.2 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -21.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E935 | E935-A938 WeakPolarHBondContact O-CB 3.29Å; E935-A938 PolarHBondContact O-N 2.66Å |
| 939 | E | 44 | Very low | 61.1 | Low | 168 Ų | 168 | 77.3 Ų | 77.3 | 79% | 0.785 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -101.2 | -9.1 | -170.7 | -66.8 | -163.7 | 139.9 | 0 | 0 | 116 | ||
| 940 | N | 48.7 | Very low | 62.2 | Low | 145 Ų | 145 | 73.2 Ų | 73.2 | 78% | 0.775 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -140.9 | -15.7 | -178.5 | -81.8 | -80.4 | 0 | 0 | 0 | 117.5 | ||
| 941 | D | 52.1 | Low | 63.6 | Low | 52 Ų | 52 | 73.1 Ų | 73.1 | 28% | 0.278 | 37% | 0.368 | S | S | . | . | trans | -136.7 | 107 | 178.3 | -92.5 | -62.8 | 0 | 0 | 0 | 111.2 | K12 T943 | K12-D941 IonicContact NZ-OD1 2.82Å; K12-D941 PolarHBondContact NZ-OD1 2.93Å; D941-T943 PolarHBondContact O-N 2.8Å | ||
| 942 | E | 62.2 | Low | 64.7 | Low | 125 Ų | 125 | 67.7 Ų | 67.7 | 58% | 0.584 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -73.8 | -3.3 | 172.5 | -59.9 | -166.5 | 149.5 | 0 | 0 | 112.9 | N128 K129 | N128-E942 VanDerWaalsContact CA-O 3.22Å; N128-E942 WeakPolarHBondContact CA-O 3.46Å; N128-E942 VanDerWaalsContact CB-O 3.26Å; N128-E942 WeakPolarHBondContact CB-O 3.35Å; K129-E942 PolarHBondContact N-O 2.83Å |
| 943 | T | 68 | Low | 66 | Low | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -129 | 143.9 | -164.2 | 45.8 | 0 | 0 | 0 | 0 | 113.3 | E3 M5 L7 K12 V80 D941 | E3-T943 WeakPolarHBondContact O-CG2 3.13Å; E3-T943 PolarHBondContact O-OG1 2.56Å; M5-T943 WeakPolarHBondContact O-CB 3.29Å; M5-T943 WeakPolarHBondContact O-CG2 3.34Å; M5-T943 PolarHBondContact O-OG1 2.65Å; L7-T943 CarbonylContact O-C 3.51Å; K12-T943 PolarHBondContact NZ-OG1 2.78Å; V80-T943 HydrophobicContact CG2-CG2 3.22Å; D941-T943 PolarHBondContact O-N 2.8Å |
| 944 | G | 72.9 | Confident | 67.4 | Low | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 83.7 | 9.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N127 M946 D947 S948 | N127-G944 CarbonylContact O-C 3.6Å; N127-G944 WeakPolarHBondContact O-CA 3.28Å; N127-G944 PolarHBondContact O-N 3.12Å; N127-G944 VanDerWaalsContact OD1-C 3.25Å; N127-G944 WeakPolarHBondContact OD1-CA 2.99Å; N127-G944 PolarHBondContact OD1-O 3.49Å; G944-M946 PolarHBondContact O-N 3.45Å; G944-D947 PolarHBondContact O-N 3.4Å; G944-S948 PolarHBondContact O-N 2.94Å; G944-S948 PolarHBondContact O-OG 3.44Å |
| 945 | V | 77.8 | Confident | 68.9 | Low | 19 Ų | 19 | 58 Ų | 58 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.7 | -46.9 | -171.6 | -178.2 | 0 | 0 | 0 | 0 | 112 | N127 L132 L949 | N127-V945 PolarHBondContact O-N 2.83Å; L132-V945 HydrophobicContact CD2-CG1 3.96Å; V945-L949 HydrophobicContact CG1-CD1 3.98Å; V945-L949 WeakPolarHBondContact O-CD1 3.03Å; V945-L949 WeakPolarHBondContact O-CG 3.48Å; V945-L949 PolarHBondContact O-N 2.9Å; V945-L949 VanDerWaalsContact O-N 3.11Å |
| 946 | M | 83.3 | Confident | 70.2 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.3 | -43.3 | -178.8 | -169.8 | 73.1 | -147.8 | 0 | 0 | 111.8 | M126 N127 L163 A166 G944 S948 L949 L950 | M126-M946 HydrophobicContact CB-CB 4.39Å; M126-M946 HydrophobicContact CB-CG 4.34Å; M126-M946 HydrophobicContact CB-SD 4.12Å; M126-M946 HydrophobicContact CE-SD 3.81Å; N127-M946 HydrophobicContact CB-CB 4.12Å; N127-M946 WeakPolarHBondContact OD1-CB 3.21Å; N127-M946 PolarHBondContact OD1-N 3Å; N127-M946 VanDerWaalsContact OD1-N 3.11Å; L163-M946 HydrophobicContact CD2-CE 3.8Å; L163-M946 HydrophobicContact CD2-SD 4.08Å; A166-M946 HydrophobicContact CB-CE 3.41Å; A166-M946 VanDerWaalsContact CB-CE 3.41Å; A166-M946 HydrophobicContact CB-SD 4.22Å; G944-M946 PolarHBondContact O-N 3.45Å; M946-S948 PolarHBondContact O-N 2.76Å; M946-L949 PolarHBondContact O-N 2.74Å; M946-L950 HydrophobicContact CE-CD1 4Å; M946-L950 HydrophobicContact CE-CD2 3.61Å; M946-L950 HydrophobicContact CE-CG 3.69Å; M946-L950 HydrophobicContact CG-CD1 4.23Å; M946-L950 HydrophobicContact CG-CG 4.45Å; M946-L950 WeakPolarHBondContact O-CB 3.3Å; M946-L950 VanDerWaalsContact O-CG 3.26Å; M946-L950 WeakPolarHBondContact O-CG 3.25Å; M946-L950 PolarHBondContact O-N 2.97Å |
| 947 | D | 82.9 | Confident | 71.7 | Confident | 43 Ų | 43 | 50.2 Ų | 50.2 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.1 | -48.4 | 176.6 | -82 | -21.7 | 0 | 0 | 0 | 110.9 | N8 K11 N127 G944 L949 L950 E951 | N8-D947 HydrophobicContact CB-CB 4.04Å; K11-D947 IonicContact NZ-OD2 3.58Å; K11-D947 PolarHBondContact NZ-OD2 2.92Å; N127-D947 PolarHBondContact ND2-OD2 3.19Å; N127-D947 PolarHBondContact OD1-N 3.02Å; G944-D947 PolarHBondContact O-N 3.4Å; D947-L949 VanDerWaalsContact C-N 3.34Å; D947-L949 PolarHBondContact O-N 2.99Å; D947-L950 PolarHBondContact O-N 3.44Å; D947-E951 WeakPolarHBondContact O-CB 3.33Å; D947-E951 PolarHBondContact O-N 3.13Å |
| 948 | S | 82.2 | Confident | 73.3 | Confident | 43 Ų | 43 | 48.8 Ų | 48.8 | 30% | 0.301 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.5 | -38.2 | 178.2 | -61.6 | 0 | 0 | 0 | 0 | 112.9 | G944 M946 E951 A952 | G944-S948 PolarHBondContact O-N 2.94Å; G944-S948 PolarHBondContact O-OG 3.44Å; M946-S948 PolarHBondContact O-N 2.76Å; S948-E951 PolarHBondContact O-N 3.07Å; S948-A952 WeakPolarHBondContact O-CB 3.4Å; S948-A952 PolarHBondContact O-N 3.25Å |
| 949 | L | 81.5 | Confident | 74.8 | Confident | 17 Ų | 17 | 46.9 Ų | 46.9 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.1 | -41.3 | 175.1 | -70.2 | 165.6 | 0 | 0 | 0 | 112.1 | L132 A166 V170 V945 M946 D947 E951 A952 L953 | L132-L949 HydrophobicContact CD2-CD1 4.29Å; A166-L949 HydrophobicContact CB-CB 4.1Å; A166-L949 HydrophobicContact CB-CD1 4.45Å; V170-L949 HydrophobicContact CG2-CD1 3.54Å; V170-L949 HydrophobicContact CG2-CD2 3.35Å; V170-L949 HydrophobicContact CG2-CG 4.08Å; V945-L949 HydrophobicContact CG1-CD1 3.98Å; V945-L949 WeakPolarHBondContact O-CD1 3.03Å; V945-L949 WeakPolarHBondContact O-CG 3.48Å; V945-L949 PolarHBondContact O-N 2.9Å; V945-L949 VanDerWaalsContact O-N 3.11Å; M946-L949 PolarHBondContact O-N 2.74Å; D947-L949 VanDerWaalsContact C-N 3.34Å; D947-L949 PolarHBondContact O-N 2.99Å; L949-E951 VanDerWaalsContact C-N 3.26Å; L949-E951 PolarHBondContact O-N 3.1Å; L949-A952 PolarHBondContact O-N 2.98Å; L949-L953 WeakPolarHBondContact O-CB 3.26Å; L949-L953 WeakPolarHBondContact O-CG 3.43Å; L949-L953 PolarHBondContact O-N 3.43Å |
| 950 | L | 84.7 | Confident | 75.7 | Confident | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.5 | -30 | 175.6 | -68.8 | 179.4 | 0 | 0 | 0 | 112.4 | K162 M946 D947 L953 Q954 | K162-L950 HydrophobicContact CB-CD2 3.68Å; K162-L950 HydrophobicContact CG-CD2 4.17Å; K162-L950 WeakPolarHBondContact O-CD2 3.24Å; M946-L950 HydrophobicContact CE-CD1 4Å; M946-L950 HydrophobicContact CE-CD2 3.61Å; M946-L950 HydrophobicContact CE-CG 3.69Å; M946-L950 HydrophobicContact CG-CD1 4.23Å; M946-L950 HydrophobicContact CG-CG 4.45Å; M946-L950 WeakPolarHBondContact O-CB 3.3Å; M946-L950 VanDerWaalsContact O-CG 3.26Å; M946-L950 WeakPolarHBondContact O-CG 3.25Å; M946-L950 PolarHBondContact O-N 2.97Å; D947-L950 PolarHBondContact O-N 3.44Å; L950-L953 HydrophobicContact CD2-CD1 4.08Å; L950-Q954 VanDerWaalsContact O-CB 3.31Å; L950-Q954 WeakPolarHBondContact O-CB 3.23Å; L950-Q954 PolarHBondContact O-N 3.41Å |
| 951 | E | 84.9 | Confident | 75.9 | Confident | 96 Ų | 96 | 40 Ų | 40 | 45% | 0.449 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -76.2 | -41 | 174.2 | -179.7 | 158.3 | -150.4 | 0 | 0 | 112.9 | D947 S948 L949 L953 Q954 S955 | D947-E951 WeakPolarHBondContact O-CB 3.33Å; D947-E951 PolarHBondContact O-N 3.13Å; S948-E951 PolarHBondContact O-N 3.07Å; L949-E951 VanDerWaalsContact C-N 3.26Å; L949-E951 PolarHBondContact O-N 3.1Å; E951-L953 VanDerWaalsContact C-N 3.27Å; E951-L953 PolarHBondContact O-N 3.46Å; E951-Q954 PolarHBondContact O-N 2.79Å; E951-Q954 VanDerWaalsContact O-N 3.14Å; E951-S955 WeakPolarHBondContact O-CB 3.36Å; E951-S955 PolarHBondContact O-N 2.97Å; E951-S955 PolarHBondContact O-OG 3.42Å |
| 952 | A | 81.7 | Confident | 75.4 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 26% | 0.256 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.8 | -36.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112 | S948 L949 S955 G956 A957 A958 | S948-A952 WeakPolarHBondContact O-CB 3.4Å; S948-A952 PolarHBondContact O-N 3.25Å; L949-A952 PolarHBondContact O-N 2.98Å; A952-S955 PolarHBondContact O-OG 2.94Å; A952-G956 CarbonylContact O-C 3.55Å; A952-G956 PolarHBondContact O-N 3.39Å; A952-A957 PolarHBondContact O-N 2.96Å; A952-A958 HydrophobicContact CB-CB 4.05Å; A952-A958 PolarHBondContact O-N 3.45Å |
| 953 | L | 84.4 | Confident | 74.5 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.1 | -46.3 | 168.9 | -81.3 | 164.2 | 0 | 0 | 0 | 112.2 | A166 I169 Q215 Q260 L949 L950 E951 G956 F959 | A166-L953 HydrophobicContact CB-CD1 4.03Å; I169-L953 HydrophobicContact CD1-CD2 3.48Å; I169-L953 VanDerWaalsContact CD1-CD2 3.48Å; I169-L953 HydrophobicContact CD1-CG 4.2Å; Q215-L953 PolarHBondContact NE2-O 2.95Å; Q260-L953 PolarHBondContact NE2-O 2.99Å; L949-L953 WeakPolarHBondContact O-CB 3.26Å; L949-L953 WeakPolarHBondContact O-CG 3.43Å; L949-L953 PolarHBondContact O-N 3.43Å; L950-L953 HydrophobicContact CD2-CD1 4.08Å; E951-L953 VanDerWaalsContact C-N 3.27Å; E951-L953 PolarHBondContact O-N 3.46Å; L953-G956 PolarHBondContact O-N 2.97Å; L953-F959 HydrophobicContact CD2-CE1 4.23Å; L953-F959 HydrophobicContact CD2-CE2 3.76Å; L953-F959 HydrophobicContact CD2-CZ 3.37Å |
| 954 | Q | 84.3 | Confident | 72.8 | Confident | 66 Ų | 66 | 58.7 Ų | 58.7 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | -177.2 | -163.2 | 77.1 | 16.6 | 0 | 0 | 112.9 | A256 L950 E951 G956 | A256-Q954 HydrophobicContact CB-CG 4.49Å; A256-Q954 VanDerWaalsContact CB-NE2 3.28Å; L950-Q954 VanDerWaalsContact O-CB 3.31Å; L950-Q954 WeakPolarHBondContact O-CB 3.23Å; L950-Q954 PolarHBondContact O-N 3.41Å; E951-Q954 PolarHBondContact O-N 2.79Å; E951-Q954 VanDerWaalsContact O-N 3.14Å; Q954-G956 VanDerWaalsContact C-N 3.28Å; Q954-G956 PolarHBondContact O-N 2.67Å |
| 955 | S | 83.2 | Confident | 70.9 | Confident | 56 Ų | 56 | 69.9 Ų | 69.9 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -10.8 | 176 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | E951 A952 A957 | E951-S955 WeakPolarHBondContact O-CB 3.36Å; E951-S955 PolarHBondContact O-N 2.97Å; E951-S955 PolarHBondContact O-OG 3.42Å; A952-S955 PolarHBondContact O-OG 2.94Å; S955-A957 PolarHBondContact O-N 3.17Å; S955-A957 WeakPolarHBondContact OG-CB 3.4Å; S955-A957 PolarHBondContact OG-N 2.86Å |
| 956 | G | 78.1 | Confident | 68.4 | Low | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 6.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114 | A952 L953 Q954 A958 F959 R960 | A952-G956 CarbonylContact O-C 3.55Å; A952-G956 PolarHBondContact O-N 3.39Å; L953-G956 PolarHBondContact O-N 2.97Å; Q954-G956 VanDerWaalsContact C-N 3.28Å; Q954-G956 PolarHBondContact O-N 2.67Å; G956-A958 PolarHBondContact O-N 3.33Å; G956-F959 PolarHBondContact O-N 3.38Å; G956-R960 PolarHBondContact O-N 3.16Å |
| 957 | A | 79.8 | Confident | 65.9 | Low | 55 Ų | 55 | 78.8 Ų | 78.8 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -25.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A952 S955 F959 | A952-A957 PolarHBondContact O-N 2.96Å; S955-A957 PolarHBondContact O-N 3.17Å; S955-A957 WeakPolarHBondContact OG-CB 3.4Å; S955-A957 PolarHBondContact OG-N 2.86Å; A957-F959 PolarHBondContact O-N 2.81Å |
| 958 | A | 76.8 | Confident | 63.5 | Low | 33 Ų | 33 | 87.6 Ų | 87.6 | 27% | 0.273 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I169 A952 G956 | I169-A958 HydrophobicContact CD1-CB 3.9Å; A952-A958 HydrophobicContact CB-CB 4.05Å; A952-A958 PolarHBondContact O-N 3.45Å; G956-A958 PolarHBondContact O-N 3.33Å |
| 959 | F | 77 | Confident | 60.9 | Low | 10 Ų | 10 | 91.2 Ų | 91.2 | 4% | 0.044 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -24.2 | -175.2 | -55.9 | -58.6 | 0 | 0 | 0 | 114.2 | I169 N218 A219 T222 Q260 V263 H267 L953 G956 A957 E961 | I169-F959 HydrophobicContact CD1-CD1 4.28Å; I169-F959 HydrophobicContact CD1-CE1 3.55Å; I169-F959 HydrophobicContact CD1-CZ 3.96Å; I169-F959 HydrophobicContact CG1-CE1 4.48Å; N218-F959 HydrophobicContact CB-CD1 4.35Å; N218-F959 HydrophobicContact CB-CD2 4.25Å; N218-F959 HydrophobicContact CB-CE1 3.87Å; N218-F959 HydrophobicContact CB-CE2 3.77Å; N218-F959 HydrophobicContact CB-CZ 3.54Å; A219-F959 HydrophobicContact CB-CE1 4.15Å; A219-F959 HydrophobicContact CB-CZ 4.22Å; T222-F959 WeakPolarHBondContact OG1-CD1 3.42Å; Q260-F959 VanDerWaalsContact OE1-CE2 3.32Å; V263-F959 HydrophobicContact CB-CB 4.48Å; V263-F959 HydrophobicContact CG1-CB 3.46Å; V263-F959 VanDerWaalsContact CG1-CB 3.46Å; V263-F959 HydrophobicContact CG1-CD2 3.87Å; V263-F959 HydrophobicContact CG1-CG 3.78Å; V263-F959 HydrophobicContact CG2-CB 4.15Å; V263-F959 HydrophobicContact CG2-CD2 4.48Å; H267-F959 PolarHBondContact NE2-O 2.86Å; L953-F959 HydrophobicContact CD2-CE1 4.23Å; L953-F959 HydrophobicContact CD2-CE2 3.76Å; L953-F959 HydrophobicContact CD2-CZ 3.37Å; G956-F959 PolarHBondContact O-N 3.38Å; A957-F959 PolarHBondContact O-N 2.81Å; F959-E961 PolarHBondContact O-N 2.99Å |
| 960 | R | 63.7 | Low | 58.5 | Low | 88 Ų | 88 | 101.6 Ų | 101.6 | 33% | 0.332 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -86.6 | 109.7 | -178.1 | -74 | -174.4 | 167.6 | 126.6 | 10.2 | 111 | V263 E266 G956 R962 | V263-R960 HydrophobicContact CG2-CG 4.21Å; E266-R960 IonicContact OE2-CZ 2.69Å; E266-R960 IonicContact OE2-NE 3.24Å; E266-R960 PolarHBondContact OE2-NE 2.97Å; E266-R960 VanDerWaalsContact OE2-NE 3.11Å; E266-R960 IonicContact OE2-NH2 2.84Å; E266-R960 PolarHBondContact OE2-NH2 3.49Å; G956-R960 PolarHBondContact O-N 3.16Å; R960-R962 PolarHBondContact O-N 3.07Å; R960-R962 VanDerWaalsContact O-N 3.13Å |
| 961 | E | 53.2 | Low | 55.8 | Low | 82 Ų | 82 | 108 Ų | 108 | 38% | 0.383 | 52% | 0.519 | S | S | . | . | trans | -49.3 | 122.1 | 167 | -87.1 | -163.2 | 161.1 | 0 | 0 | 109.7 | R926 F959 R963 | R926-E961 IonicContact CZ-OE1 3.43Å; R926-E961 IonicContact NE-OE1 3.44Å; R926-E961 PolarHBondContact NE-OE1 3.2Å; R926-E961 IonicContact NH2-OE1 2.76Å; R926-E961 PolarHBondContact NH2-OE1 2.92Å; F959-E961 PolarHBondContact O-N 2.99Å; E961-R963 PolarHBondContact O-N 2.87Å; E961-R963 IonicContact OE1-CZ 3.34Å; E961-R963 IonicContact OE1-NE 3.54Å; E961-R963 IonicContact OE1-NH2 3.24Å; E961-R963 PolarHBondContact OE1-NH2 3.1Å; E961-R963 WeakPolarHBondContact OE2-CD 3.36Å; E961-R963 IonicContact OE2-CZ 2.64Å; E961-R963 IonicContact OE2-NE 3.26Å; E961-R963 PolarHBondContact OE2-NE 2.78Å; E961-R963 IonicContact OE2-NH2 2.71Å; E961-R963 PolarHBondContact OE2-NH2 2.8Å | ||
| 962 | R | 40.7 | Very low | 53 | Low | 254 Ų | 254 | 110.1 Ų | 110.1 | 96% | 0.958 | 53% | 0.533 | S | S | * | . | trans | -75.4 | 39.8 | 178.5 | -151.9 | -176.5 | -167.7 | -168.6 | 7.2 | 112.8 | R960 K964 | R960-R962 PolarHBondContact O-N 3.07Å; R960-R962 VanDerWaalsContact O-N 3.13Å; R962-K964 PolarHBondContact O-N 3.03Å; R962-K964 VanDerWaalsContact O-N 3.12Å | ||
| 963 | R | 42.8 | Very low | 50.6 | Low | 116 Ų | 116 | 119.8 Ų | 119.8 | 44% | 0.438 | 57% | 0.565 | S | S | . | * | trans | -71.9 | 102.8 | 169.3 | -69.4 | -161.3 | -148.6 | -150.9 | 4.6 | 108.9 | E922 E961 R965 | E922-R963 IonicContact OE2-NH1 3.81Å; E922-R963 PolarHBondContact OE2-NH1 3.02Å; E922-R963 VanDerWaalsContact OE2-NH1 3.09Å; E961-R963 PolarHBondContact O-N 2.87Å; E961-R963 IonicContact OE1-CZ 3.34Å; E961-R963 IonicContact OE1-NE 3.54Å; E961-R963 IonicContact OE1-NH2 3.24Å; E961-R963 PolarHBondContact OE1-NH2 3.1Å; E961-R963 WeakPolarHBondContact OE2-CD 3.36Å; E961-R963 IonicContact OE2-CZ 2.64Å; E961-R963 IonicContact OE2-NE 3.26Å; E961-R963 PolarHBondContact OE2-NE 2.78Å; E961-R963 IonicContact OE2-NH2 2.71Å; E961-R963 PolarHBondContact OE2-NH2 2.8Å; R963-R965 PolarHBondContact O-N 2.63Å | ||
| 964 | K | 32.3 | Very low | 47.9 | Very low | 204 Ų | 204 | 128.3 Ų | 128.3 | 89% | 0.887 | 61% | 0.605 | S | S | * | * | trans | -54.3 | 109.2 | 145.2 | -75.7 | -177.4 | 177 | 179.6 | 0 | 106.6 | R962 A966 | R962-K964 PolarHBondContact O-N 3.03Å; R962-K964 VanDerWaalsContact O-N 3.12Å; K964-A966 PolarHBondContact O-N 2.86Å; K964-A966 VanDerWaalsContact O-N 3.16Å | ||
| 965 | R | 32.8 | Very low | 45.2 | Very low | 235 Ų | 235 | 134.5 Ų | 134.5 | 89% | 0.887 | 63% | 0.633 | S | S | * | * | trans | -54.1 | 121.4 | 148.9 | -77.5 | -177.5 | 174.8 | 169.4 | 0.2 | 105.1 | R963 | R963-R965 PolarHBondContact O-N 2.63Š| ||
| 966 | A | 25.9 | Very low | 42.4 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 69% | 0.686 | 66% | 0.656 | S | S | * | * | trans | -54.6 | 133.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | K964 R968 | K964-A966 PolarHBondContact O-N 2.86Å; K964-A966 VanDerWaalsContact O-N 3.16Å; A966-R968 PolarHBondContact O-N 2.83Å | ||
| 967 | P | 31.3 | Very low | 39.8 | Very low | 125 Ų | 125 | 145 Ų | 145 | 81% | 0.812 | 70% | 0.695 | S | S | * | * | trans | -63.7 | 108.9 | 179.6 | 26 | -32.6 | 0 | 0 | 0 | 108 | ||||
| 968 | R | 31.8 | Very low | 37.1 | Very low | 228 Ų | 228 | 147.9 Ų | 147.9 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | trans | -54 | 131.9 | 154.2 | -71.4 | -175.5 | 178.3 | 173.8 | -0.4 | 105.8 | A966 R970 | A966-R968 PolarHBondContact O-N 2.83Å; R968-R970 PolarHBondContact O-N 2.99Å | ||
| 969 | P | 28.6 | Very low | 35.2 | Very low | 120 Ų | 120 | 152.1 Ų | 152.1 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | trans | -57.3 | 115.5 | 178.1 | 23.4 | -32.4 | 0 | 0 | 0 | 108.4 | ||||
| 970 | R | 29.9 | Very low | 32.5 | Very low | 234 Ų | 234 | 157 Ų | 157 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -86.6 | 107 | 162.6 | -88.1 | -173.9 | 166.4 | -174.8 | -4.5 | 106.1 | R968 N972 | R968-R970 PolarHBondContact O-N 2.99Å; R970-N972 PolarHBondContact O-N 2.96Å | ||
| 971 | D | 29.4 | Very low | 30.7 | Very low | 151 Ų | 151 | 158.6 Ų | 158.6 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -59.5 | 136 | 159.8 | -71.5 | -56.1 | 0 | 0 | 0 | 109 | Y973 | D971-Y973 PolarHBondContact O-N 2.94Š| ||
| 972 | N | 26.2 | Very low | 29.7 | Very low | 141 Ų | 141 | 165.1 Ų | 165.1 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | trans | -76.4 | 115 | -175.1 | -82.6 | -43.4 | 0 | 0 | 0 | 110.7 | R970 | R970-N972 PolarHBondContact O-N 2.96Š| ||
| 973 | Y | 29.6 | Very low | 29 | Very low | 234 Ų | 234 | 164.6 Ų | 164.6 | 92% | 0.918 | 82% | 0.822 | S | S | * | * | trans | -129.7 | 123.9 | 142.3 | -86.8 | -76.8 | 0 | 0 | 0 | 110.5 | D971 | D971-Y973 PolarHBondContact O-N 2.94Š| ||
| 974 | Q | 28.1 | Very low | 28.2 | Very low | 180 Ų | 180 | 167.3 Ų | 167.3 | 84% | 0.841 | 84% | 0.84 | S | S | * | * | trans | -86.2 | 132.5 | 176.3 | -64.6 | 172.8 | -26.8 | 0 | 0 | 109.5 | ||||
| 975 | Q | 28.5 | Very low | 27.8 | Very low | 195 Ų | 195 | 164.2 Ų | 164.2 | 91% | 0.911 | 84% | 0.838 | S | S | * | * | trans | -155.3 | 168.3 | 146.7 | -115.3 | 165.5 | 27.8 | 0 | 0 | 111.3 | ||||
| 976 | T | 24.8 | Very low | 27.6 | Very low | 141 Ų | 141 | 161 Ų | 161 | 87% | 0.865 | 84% | 0.837 | S | S | * | * | trans | -91.7 | 156.3 | -150.9 | 42.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 977 | V | 23.2 | Very low | 27.5 | Very low | 137 Ų | 137 | 167.8 Ų | 167.8 | 83% | 0.83 | 85% | 0.845 | S | S | * | * | trans | -88.8 | 129.7 | -175.3 | 176.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 978 | S | 21.8 | Very low | 27.3 | Very low | 115 Ų | 115 | 166.9 Ų | 166.9 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -165.1 | 155.4 | 139 | -84.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 979 | P | 36.9 | Very low | 27 | Very low | 121 Ų | 121 | 161.7 Ų | 161.7 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | trans | -115 | 147.3 | -146.2 | 38.6 | -30.2 | 0 | 0 | 0 | 116.2 | ||||
| 980 | S | 21.3 | Very low | 26.9 | Very low | 114 Ų | 114 | 163.1 Ų | 163.1 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | trans | -159.2 | 143.8 | 154 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 981 | S | 26 | Very low | 26.7 | Very low | 120 Ų | 120 | 161.9 Ų | 161.9 | 84% | 0.839 | 83% | 0.83 | S | S | * | * | trans | 57.4 | 117.3 | 154.4 | -57.7 | 0 | 0 | 0 | 0 | 121.8 | R983 | S981-R983 PolarHBondContact O-N 2.81Š| ||
| 982 | F | 31.9 | Very low | 26.5 | Very low | 220 Ų | 220 | 163 Ų | 163 | 97% | 0.965 | 83% | 0.831 | S | S | * | * | trans | -64.9 | 117 | 159.2 | -85.1 | -118.9 | 0 | 0 | 0 | 111.7 | ||||
| 983 | R | 25.6 | Very low | 26.5 | Very low | 242 Ų | 242 | 162.4 Ų | 162.4 | 91% | 0.913 | 83% | 0.828 | S | S | * | * | trans | -173 | 166.6 | 145.9 | -113.3 | 179.5 | -179.4 | -163.4 | -0.9 | 111.4 | S981 | S981-R983 PolarHBondContact O-N 2.81Š| ||
| 984 | Q | 25.3 | Very low | 26.3 | Very low | 173 Ų | 173 | 158 Ų | 158 | 81% | 0.808 | 82% | 0.82 | S | S | * | * | trans | 83.5 | 100.7 | 175.2 | -54.5 | -176.2 | 5.3 | 0 | 0 | 117.4 | ||||
| 985 | V | 24.8 | Very low | 26.2 | Very low | 140 Ų | 140 | 158.4 Ų | 158.4 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | trans | -121.1 | 153.3 | 135.2 | 178.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 986 | L | 27.9 | Very low | 26.2 | Very low | 166 Ų | 166 | 153.8 Ų | 153.8 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | trans | 79.1 | 81.1 | -171.4 | -51.7 | -179 | 0 | 0 | 0 | 115.6 | ||||
| 987 | R | 25.2 | Very low | 26.4 | Very low | 227 Ų | 227 | 152.7 Ų | 152.7 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | -123.8 | 153.6 | 140.2 | -107.6 | -165.6 | 168.9 | -168.6 | -3.4 | 109 | ||||
| 988 | P | 26.4 | Very low | 26.5 | Very low | 106 Ų | 106 | 154.8 Ų | 154.8 | 69% | 0.688 | 82% | 0.815 | S | S | * | * | trans | -80.2 | 156 | -164.7 | 32.5 | -36.3 | 0 | 0 | 0 | 113.1 | ||||
| 989 | V | 26.2 | Very low | 26.6 | Very low | 119 Ų | 119 | 157 Ų | 157 | 72% | 0.721 | 81% | 0.813 | S | S | * | * | trans | -90.2 | 108.8 | 166.3 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | Y991 | V989-Y991 HydrophobicContact CG1-CD2 3.9Å; V989-Y991 HydrophobicContact CG1-CE2 3.79Å | ||
| 990 | N | 26.3 | Very low | 25.9 | Very low | 149 Ų | 149 | 163 Ų | 163 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -69.9 | 137.9 | 166.3 | -75.3 | 3.5 | 0 | 0 | 0 | 109.5 | ||||
| 991 | Y | 25.7 | Very low | 26.1 | Very low | 209 Ų | 209 | 162 Ų | 162 | 82% | 0.82 | 81% | 0.813 | S | S | * | * | trans | -121.9 | 131.2 | 165.2 | -94.8 | -85.4 | 0 | 0 | 0 | 109.2 | V989 | V989-Y991 HydrophobicContact CG1-CD2 3.9Å; V989-Y991 HydrophobicContact CG1-CE2 3.79Å | ||
| 992 | E | 24.4 | Very low | 26.1 | Very low | 174 Ų | 174 | 166.3 Ų | 166.3 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | -127.8 | 129.7 | 154.7 | -81.2 | -157.8 | 101.1 | 0 | 0 | 109.5 | ||||
| 993 | N | 26.3 | Very low | 25.7 | Very low | 129 Ų | 129 | 161.3 Ų | 161.3 | 69% | 0.69 | 80% | 0.803 | S | S | * | * | trans | 41.7 | 116.6 | 158.9 | -65 | -49.1 | 0 | 0 | 0 | 118.4 | ||||
| 994 | N | 25.7 | Very low | 25.8 | Very low | 141 Ų | 141 | 160.8 Ų | 160.8 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | -161.1 | 149.2 | 67.2 | -111.3 | -74.5 | 0 | 0 | 0 | 116.4 | |||||
| 995 | K | 26.3 | Very low | 25.7 | Very low | 188 Ų | 188 | 161.8 Ų | 161.8 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | 75.2 | 113.9 | 154.5 | -66.8 | -174.5 | 179 | -175.8 | 0 | 121.7 | ||||
| 996 | A | 27.3 | Very low | 25.7 | Very low | 98 Ų | 98 | 162.2 Ų | 162.2 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | 84.1 | 144.4 | 137.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 997 | P | 29.6 | Very low | 25.6 | Very low | 118 Ų | 118 | 160.5 Ų | 160.5 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -120.8 | 136.7 | -152.5 | 36.3 | -19.7 | 0 | 0 | 0 | 115 | ||||
| 998 | L | 24.6 | Very low | 25.5 | Very low | 182 Ų | 182 | 156.3 Ų | 156.3 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | trans | -141.6 | 75.6 | 161.8 | -81.9 | 175.7 | 0 | 0 | 0 | 109.7 | ||||
| 999 | Q | 24.4 | Very low | 25.5 | Very low | 162 Ų | 162 | 155.9 Ų | 155.9 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | trans | -77.2 | 122.1 | 166.5 | -83.7 | -164.2 | -2.8 | 0 | 0 | 110.1 | ||||
| 1000 | R | 22.6 | Very low | 25.3 | Very low | 246 Ų | 246 | 156.3 Ų | 156.3 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | trans | -115.6 | 68.6 | 166.8 | -163 | -179.7 | -166.8 | -177.7 | 5.5 | 109.1 | R1002 | R1000-R1002 PolarHBondContact O-N 3.17Š| ||
| 1001 | S | 24.5 | Very low | 25.3 | Very low | 94 Ų | 94 | 155.3 Ų | 155.3 | 66% | 0.657 | 81% | 0.812 | S | S | * | * | trans | -71.4 | 125 | -177.5 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1002 | R | 27.7 | Very low | 25.2 | Very low | 210 Ų | 210 | 150.4 Ų | 150.4 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | trans | -70.3 | 140 | 165.8 | -74.5 | 172.8 | 163 | 173.9 | -7.6 | 108.8 | R1000 | R1000-R1002 PolarHBondContact O-N 3.17Š| ||
| 1003 | S | 23.1 | Very low | 25.1 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -119.8 | 121.9 | 148.9 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1004 | R | 26.5 | Very low | 25 | Very low | 232 Ų | 232 | 150.7 Ų | 150.7 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | trans | -108.1 | 121 | 158.2 | -83.2 | -174.1 | 175.2 | -176.7 | -0.3 | 105.9 | ||||
| 1005 | Q | 23.5 | Very low | 25.1 | Very low | 194 Ų | 194 | 149.6 Ų | 149.6 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | -119.7 | 151.8 | 146.8 | -79.6 | -166.6 | -11.6 | 0 | 0 | 109.1 | ||||
| 1006 | N | 25.8 | Very low | 25.2 | Very low | 148 Ų | 148 | 146.7 Ų | 146.7 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -144.7 | 128.2 | -154.1 | -173.3 | 41.6 | 0 | 0 | 0 | 108.5 | ||||
| 1007 | V | 24.5 | Very low | 25 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | -137.4 | 129.8 | 171.8 | -175.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1008 | N | 23.3 | Very low | 24.7 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 74% | 0.738 | 82% | 0.821 | S | S | * | * | trans | -25.3 | 139 | 173.2 | -47.6 | -27.7 | 0 | 0 | 0 | 116.1 | ||||
| 1009 | A | 26.4 | Very low | 24.8 | Very low | 98 Ų | 98 | 147.3 Ų | 147.3 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | cis | 78.4 | 119.3 | 38.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1010 | S | 22.4 | Very low | 24.7 | Very low | 128 Ų | 128 | 148.9 Ų | 148.9 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | -154.3 | 136.5 | 158.3 | 58.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1011 | S | 26.4 | Very low | 24.9 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | trans | -116.5 | 150.1 | -172.7 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1012 | A | 23 | Very low | 24.8 | Very low | 105 Ų | 105 | 150 Ų | 150 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | trans | -144.5 | 149.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1013 | S | 22.8 | Very low | 24.6 | Very low | 106 Ų | 106 | 146.5 Ų | 146.5 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | trans | -136.4 | 134.9 | -151.4 | 61 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1014 | K | 24.5 | Very low | 24.5 | Very low | 203 Ų | 203 | 149.4 Ų | 149.4 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | 65.1 | 172.2 | 159.4 | -70.3 | 178.7 | -179 | 177 | 0 | 113.9 | ||||
| 1015 | P | 27.5 | Very low | 24.4 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | cis | -117.1 | 177.5 | 3.6 | 41.7 | -27.3 | 0 | 0 | 0 | 114.6 | ||||
| 1016 | P | 29.3 | Very low | 24.5 | Very low | 127 Ų | 127 | 143 Ų | 143 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -93.6 | 167.2 | -172.7 | 37.3 | -35.7 | 0 | 0 | 0 | 114.1 | ||||
| 1017 | S | 22.1 | Very low | 24.5 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -133.7 | 140.4 | 164.1 | -167.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1018 | A | 23.9 | Very low | 24.5 | Very low | 90 Ų | 90 | 140.6 Ų | 140.6 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | -6.8 | 132.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1019 | K | 26.3 | Very low | 25.2 | Very low | 202 Ų | 202 | 139.5 Ų | 139.5 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | trans | -84.1 | 126.2 | 147 | -70 | -177.2 | 177.2 | -178.6 | 0 | 108.6 | ||||
| 1020 | E | 22.9 | Very low | 25.2 | Very low | 196 Ų | 196 | 139.4 Ų | 139.4 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -73.2 | 144.8 | 160.6 | -70.6 | -171.7 | 119.6 | 0 | 0 | 110.2 | ||||
| 1021 | V | 25.8 | Very low | 25.4 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -109.7 | 133.5 | 171.8 | 174.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1022 | R | 23 | Very low | 25.4 | Very low | 236 Ų | 236 | 137.7 Ų | 137.7 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -106.4 | 118.6 | 171.3 | -167.5 | 168.5 | -179 | 159.5 | 0.7 | 109.7 | ||||
| 1023 | N | 23.5 | Very low | 25.5 | Very low | 137 Ų | 137 | 144.4 Ų | 144.4 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | -79.1 | 161.1 | 177.8 | -78.8 | -14.4 | 0 | 0 | 0 | 112.6 | ||||
| 1024 | E | 21.8 | Very low | 25.7 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 173.7 | 137.8 | 136.1 | -93.7 | 163 | -152.2 | 0 | 0 | 106.5 | ||||
| 1025 | S | 23.8 | Very low | 25.8 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | cis | -155.5 | -174.5 | -11.2 | -73.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1026 | E | 24.8 | Very low | 25.7 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | cis | -155.7 | -163.9 | 6.8 | -147.1 | -114.9 | -91.6 | 0 | 0 | 108.4 | ||||
| 1027 | G | 26 | Very low | 25.5 | Very low | 62 Ų | 62 | 142.1 Ų | 142.1 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | trans | 111.5 | 95 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1028 | H | 25.5 | Very low | 25.6 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 78% | 0.778 | 80% | 0.795 | S | S | * | * | trans | -131.4 | 147.4 | 172 | -108.4 | -25 | 0 | 0 | 0 | 111.6 | ||||
| 1029 | P | 37.5 | Very low | 25.5 | Very low | 115 Ų | 115 | 143 Ų | 143 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | -135 | 153.5 | 84.3 | 31.1 | -13.3 | 0 | 0 | 0 | 113 | |||||
| 1030 | S | 25.6 | Very low | 25.4 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | 58.8 | 132.1 | 65 | -67.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1031 | V | 27.6 | Very low | 25.6 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | -156.4 | 150.2 | 50.5 | 164.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1032 | A | 26.2 | Very low | 25.6 | Very low | 84 Ų | 84 | 139.8 Ų | 139.8 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | trans | 64.2 | 142.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1033 | R | 25.4 | Very low | 25.8 | Very low | 246 Ų | 246 | 131.6 Ų | 131.6 | 93% | 0.928 | 79% | 0.792 | S | S | * | * | cis | 70.5 | 133.1 | 41.9 | -80.7 | -170 | 164.4 | 173.3 | -3.5 | 114.5 | ||||
| 1034 | A | 26.6 | Very low | 26 | Very low | 83 Ų | 83 | 132.5 Ų | 132.5 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | cis | -167.2 | 161 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1035 | K | 26.5 | Very low | 26.2 | Very low | 203 Ų | 203 | 131.9 Ų | 131.9 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | 57.8 | 110.7 | 151.8 | -72.4 | -176 | 177.2 | -173.4 | 0 | 122.1 | ||||
| 1036 | A | 25.9 | Very low | 26.3 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | 80.5 | 127.6 | 120.6 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1037 | S | 24.5 | Very low | 26.3 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | 70 | 104.3 | 139.3 | -177.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1038 | A | 24.6 | Very low | 26.3 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -161.7 | 162.2 | 134.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1039 | C | 22.7 | Very low | 26.3 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -97 | 159.5 | -177.2 | -57.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1040 | S | 23.9 | Very low | 26.9 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | trans | -166.4 | 131.7 | 135.1 | -105.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1041 | E | 26.3 | Very low | 26.8 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -105.3 | 136.9 | 167.8 | -69.7 | -175.5 | 107 | 0 | 0 | 111.1 | ||||
| 1042 | V | 25.1 | Very low | 26.9 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -149.8 | 131.6 | 148.1 | -163.8 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 1043 | G | 27.9 | Very low | 27 | Very low | 64 Ų | 64 | 139.3 Ų | 139.3 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | cis | 95.2 | 148.3 | 35.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1044 | Q | 27 | Very low | 27 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | cis | -162 | 159.2 | -0.7 | -64 | -173.5 | 57.8 | 0 | 0 | 106.4 | ||||
| 1045 | K | 27.2 | Very low | 27 | Very low | 163 Ų | 163 | 139 Ų | 139 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | cis | -162 | 136.9 | -7 | -106.3 | 163.6 | -178.7 | 158 | 0 | 106.7 | ||||
| 1046 | Y | 25.8 | Very low | 27.1 | Very low | 206 Ų | 206 | 137.2 Ų | 137.2 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | 48.3 | 130.4 | 98.9 | -91.6 | -84.2 | 0 | 0 | 0 | 119.1 | |||||
| 1047 | K | 24.8 | Very low | 27.1 | Very low | 195 Ų | 195 | 139 Ų | 139 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -163.9 | 111.1 | 136.1 | -99.3 | 170.1 | -174.7 | -179.5 | 0 | 107.2 | ||||
| 1048 | N | 25.3 | Very low | 27.3 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 63% | 0.626 | 79% | 0.789 | S | S | * | * | 72.8 | 105.7 | 81.3 | -70.4 | 15.9 | 0 | 0 | 0 | 112.8 | |||||
| 1049 | T | 25.4 | Very low | 27.3 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | 76.8 | 165 | 62.8 | 67.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1050 | P | 49.7 | Very low | 27.4 | Very low | 126 Ų | 126 | 149.2 Ų | 149.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | cis | -139.2 | -175.1 | 3.3 | 40.3 | -20.3 | 0 | 0 | 0 | 117.4 | ||||
| 1051 | G | 24.3 | Very low | 27.5 | Very low | 68 Ų | 68 | 147.4 Ų | 147.4 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | 139.5 | 104.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1052 | H | 29.6 | Very low | 27.5 | Very low | 176 Ų | 176 | 145.1 Ų | 145.1 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | cis | 75 | 131.3 | 15.9 | -98 | 59.2 | 0 | 0 | 0 | 114.9 | ||||
| 1053 | S | 27.9 | Very low | 27.6 | Very low | 95 Ų | 95 | 146 Ų | 146 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | cis | -154.5 | 167.3 | 16.9 | -53.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 1054 | R | 26.8 | Very low | 27.6 | Very low | 248 Ų | 248 | 155 Ų | 155 | 94% | 0.936 | 78% | 0.783 | S | S | * | * | trans | 6.8 | 150.1 | 146.2 | -57.6 | 177 | 173.8 | -160.7 | -2.3 | 121.8 | ||||
| 1055 | G | 25.2 | Very low | 27.6 | Very low | 75 Ų | 75 | 156.4 Ų | 156.4 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 178 | 154.4 | 153 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1056 | L | 29.9 | Very low | 27.7 | Very low | 166 Ų | 166 | 155 Ų | 155 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -133.6 | 171.5 | 173.7 | -83 | 173.7 | 0 | 0 | 0 | 111 | ||||
| 1057 | D | 26.2 | Very low | 27.7 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 75.7 | 98.2 | 159.8 | -66.6 | -56.6 | 0 | 0 | 0 | 122.2 | ||||
| 1058 | R | 27.4 | Very low | 27.9 | Very low | 219 Ų | 219 | 150.9 Ų | 150.9 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | 47.7 | 107 | 105 | -169.1 | -171.1 | -172 | 170.2 | 4.1 | 120.3 | |||||
| 1059 | E | 25.6 | Very low | 29.1 | Very low | 139 Ų | 139 | 150.7 Ų | 150.7 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | 179.8 | 153.8 | 112.1 | -98.5 | -139.2 | 118.3 | 0 | 0 | 115.6 | |||||
| 1060 | R | 24.9 | Very low | 29.5 | Very low | 206 Ų | 206 | 149.2 Ų | 149.2 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | 49 | 105.8 | 150.2 | -66.9 | 178.8 | -167.4 | -134.1 | -3 | 123.6 | ||||
| 1061 | A | 25.3 | Very low | 28.6 | Very low | 88 Ų | 88 | 150.2 Ų | 150.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 59.5 | 126.4 | 110.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1062 | T | 26.5 | Very low | 28.7 | Very low | 146 Ų | 146 | 156.4 Ų | 156.4 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | -144.4 | 141.5 | 128.4 | 29.7 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1063 | D | 26.8 | Very low | 28.6 | Very low | 155 Ų | 155 | 155.9 Ų | 155.9 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -85.7 | 158.7 | -179.7 | -60.2 | -78 | 0 | 0 | 0 | 113.7 | ||||
| 1064 | R | 28 | Very low | 29.4 | Very low | 253 Ų | 253 | 156.5 Ų | 156.5 | 96% | 0.955 | 79% | 0.788 | S | S | * | * | trans | -164.1 | 104 | 144.1 | -112.9 | 168.5 | -173.5 | -173.6 | 1.3 | 113 | ||||
| 1065 | E | 27.1 | Very low | 29.5 | Very low | 185 Ų | 185 | 151.3 Ų | 151.3 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -75.9 | 166.4 | 158 | -68.7 | -168.4 | 103.8 | 0 | 0 | 111.4 | ||||
| 1066 | V | 28.6 | Very low | 29.7 | Very low | 132 Ų | 132 | 154.2 Ų | 154.2 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | -172.2 | 122 | 125.1 | 139.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1067 | V | 26.6 | Very low | 29.7 | Very low | 120 Ų | 120 | 156 Ų | 156 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 44.9 | 117.1 | 145.7 | -173.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1068 | K | 29.6 | Very low | 30 | Very low | 195 Ų | 195 | 153.7 Ų | 153.7 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | 71.1 | 158.1 | 61.4 | -82.2 | -178.6 | 177.9 | 169.3 | 0 | 115 | |||||
| 1069 | P | 50.6 | Low | 29.9 | Very low | 114 Ų | 114 | 152.9 Ų | 152.9 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | cis | -138.2 | 155.4 | 18.3 | 42.4 | -24.5 | 0 | 0 | 0 | 119.9 | ||||
| 1070 | A | 33.6 | Very low | 30.2 | Very low | 91 Ų | 91 | 151.5 Ų | 151.5 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | 61.8 | 153.6 | 130.7 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1071 | E | 29.4 | Very low | 30.9 | Very low | 147 Ų | 147 | 147 Ų | 147 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | cis | -122.2 | -162.3 | -0.6 | -69.8 | -170.3 | 67.8 | 0 | 0 | 110.4 | ||||
| 1072 | R | 27.5 | Very low | 30.9 | Very low | 198 Ų | 198 | 148.7 Ų | 148.7 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | cis | -146 | -136.6 | 0.3 | -158.4 | 168.7 | -93.4 | -173.9 | -1.2 | 111.5 | ||||
| 1073 | K | 26.8 | Very low | 30.9 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -166.5 | 173.7 | -170 | -88 | -161.2 | 172.1 | -160.3 | 0 | 108.6 | E1075 | K1073-E1075 IonicContact NZ-OE1 3.89Š| ||
| 1074 | P | 45.8 | Very low | 30.8 | Very low | 107 Ų | 107 | 149.9 Ų | 149.9 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | -135.8 | -156.8 | 10.9 | 50.9 | -34.3 | 0 | 0 | 0 | 112.2 | ||||
| 1075 | E | 28.5 | Very low | 30.8 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | cis | -144.6 | -102.3 | -21.4 | -142.6 | 62.1 | -82.9 | 0 | 0 | 113.1 | K1073 | K1073-E1075 IonicContact NZ-OE1 3.89Š| ||
| 1076 | T | 29.7 | Very low | 30.7 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -146.5 | 174.4 | -159 | 38.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1077 | K | 29.8 | Very low | 30.8 | Very low | 203 Ų | 203 | 138.4 Ų | 138.4 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -82.9 | 160.6 | 178.7 | -57.4 | 175.4 | 175.3 | -179.7 | 0 | 114 | ||||
| 1078 | A | 31.2 | Very low | 30.8 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | 137.1 | 140 | 114.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 1079 | E | 26.9 | Very low | 30.9 | Very low | 202 Ų | 202 | 135.3 Ų | 135.3 | 94% | 0.944 | 77% | 0.774 | S | S | * | * | trans | 66.5 | 164.6 | 156.5 | -70 | 177.4 | 178.8 | 0 | 0 | 121 | ||||
| 1080 | S | 31.8 | Very low | 29.8 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -125.6 | 169.5 | -157.8 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1081 | P | 38.8 | Very low | 29.7 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | -155 | 163.8 | 108.3 | 39.3 | -21.5 | 0 | 0 | 0 | 117.8 | |||||
| 1082 | V | 26.1 | Very low | 30.1 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | 49.7 | 127.2 | 139.4 | 174.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1083 | L | 25.8 | Very low | 30.8 | Very low | 172 Ų | 172 | 135.7 Ų | 135.7 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | -154.8 | 158.1 | 128.4 | -117.5 | 165.2 | 0 | 0 | 0 | 111.6 | |||||
| 1084 | Q | 25.5 | Very low | 31.5 | Very low | 155 Ų | 155 | 133 Ų | 133 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | trans | -119 | 152.9 | -172.9 | -67.6 | 176.9 | -83.1 | 0 | 0 | 112.5 | ||||
| 1085 | T | 27.7 | Very low | 31.5 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | 40.4 | 114 | 146.9 | 56.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1086 | A | 25.5 | Very low | 32.4 | Very low | 108 Ų | 108 | 133 Ų | 133 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -147.7 | 154.3 | 132.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1087 | A | 29.9 | Very low | 33.1 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | -121.8 | 149.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1088 | D | 26.7 | Very low | 33.8 | Very low | 171 Ų | 171 | 125.3 Ų | 125.3 | 91% | 0.914 | 76% | 0.756 | S | S | * | * | -174 | 176 | 125.5 | -100.2 | -27.4 | 0 | 0 | 0 | 112.3 | |||||
| 1089 | A | 30.7 | Very low | 34.8 | Very low | 80 Ų | 80 | 125 Ų | 125 | 66% | 0.661 | 74% | 0.742 | S | S | * | * | trans | -95.2 | 174.9 | -154.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1090 | N | 29.1 | Very low | 35.8 | Very low | 170 Ų | 170 | 118.4 Ų | 118.4 | 91% | 0.909 | 72% | 0.722 | S | S | * | * | trans | 74.1 | 128.8 | 157.7 | -60.9 | -17.7 | 0 | 0 | 0 | 119.4 | ||||
| 1091 | G | 30.7 | Very low | 36.4 | Very low | 73 Ų | 73 | 122.5 Ų | 122.5 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | trans | 150.1 | 115.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1092 | E | 37.9 | Very low | 36.7 | Very low | 195 Ų | 195 | 122.6 Ų | 122.6 | 91% | 0.911 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 133.5 | 172.9 | -64.1 | -178 | 130 | 0 | 0 | 110.3 | D1094 | E1092-D1094 PolarHBondContact O-N 3.09Š|
| 1093 | P | 41.3 | Very low | 37.9 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 117.2 | 176.9 | 30.9 | -32.2 | 0 | 0 | 0 | 111.2 | V1095 | P1093-V1095 PolarHBondContact O-N 3.2Š|
| 1094 | D | 43 | Very low | 38.6 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 59% | 0.588 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 121.3 | 174.9 | 178.8 | 3.9 | 0 | 0 | 0 | 112.3 | E1092 E1096 A1097 | E1092-D1094 PolarHBondContact O-N 3.09Å; D1094-E1096 VanDerWaalsContact C-N 3.29Å; D1094-E1096 PolarHBondContact O-N 3.12Å; D1094-E1096 WeakPolarHBondContact OD1-CB 3.5Å; D1094-E1096 PolarHBondContact OD1-N 3.14Å; D1094-A1097 PolarHBondContact O-N 3.25Å |
| 1095 | V | 45.9 | Very low | 39.3 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 61% | 0.612 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -66.8 | -29.8 | -178.1 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | P1093 L1098 L1099 | P1093-V1095 PolarHBondContact O-N 3.2Å; V1095-L1098 PolarHBondContact O-N 2.99Å; V1095-L1099 HydrophobicContact CG1-CD1 4.12Å; V1095-L1099 HydrophobicContact CG1-CG 4.48Å; V1095-L1099 PolarHBondContact O-N 2.94Å; V1095-L1099 VanDerWaalsContact O-N 3.09Å |
| 1096 | E | 45.4 | Very low | 39.9 | Very low | 146 Ų | 146 | 124 Ų | 124 | 68% | 0.682 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -71.1 | -34.2 | -177.5 | -167 | 149.8 | -135.4 | 0 | 0 | 111.5 | D1094 L1098 L1099 A1100 | D1094-E1096 VanDerWaalsContact C-N 3.29Å; D1094-E1096 PolarHBondContact O-N 3.12Å; D1094-E1096 WeakPolarHBondContact OD1-CB 3.5Å; D1094-E1096 PolarHBondContact OD1-N 3.14Å; E1096-L1098 VanDerWaalsContact C-N 3.31Å; E1096-L1098 PolarHBondContact O-N 3.07Å; E1096-L1099 PolarHBondContact O-N 3.32Å; E1096-A1100 PolarHBondContact O-N 3.36Å |
| 1097 | A | 45.9 | Very low | 40.7 | Very low | 61 Ų | 61 | 124.8 Ų | 124.8 | 50% | 0.504 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -64.7 | -32.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1094 R1101 | D1094-A1097 PolarHBondContact O-N 3.25Å; A1097-R1101 PolarHBondContact O-N 3.07Å |
| 1098 | L | 45 | Very low | 41.3 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 61% | 0.613 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -73.1 | -41.7 | 175.5 | -153.5 | 82.1 | 0 | 0 | 0 | 111.5 | V1095 E1096 A1100 R1101 L1102 | V1095-L1098 PolarHBondContact O-N 2.99Å; E1096-L1098 VanDerWaalsContact C-N 3.31Å; E1096-L1098 PolarHBondContact O-N 3.07Å; L1098-A1100 VanDerWaalsContact C-N 3.33Å; L1098-A1100 PolarHBondContact O-N 2.64Å; L1098-R1101 PolarHBondContact O-N 3.3Å; L1098-R1101 VanDerWaalsContact O-N 3.13Å; L1098-L1102 PolarHBondContact O-N 2.9Å |
| 1099 | L | 51.4 | Low | 42.1 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 42% | 0.424 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -67.5 | -29.4 | 177.1 | -72.2 | 170.6 | 0 | 0 | 0 | 113.2 | V1095 E1096 R1101 R1103 | V1095-L1099 HydrophobicContact CG1-CD1 4.12Å; V1095-L1099 HydrophobicContact CG1-CG 4.48Å; V1095-L1099 PolarHBondContact O-N 2.94Å; V1095-L1099 VanDerWaalsContact O-N 3.09Å; E1096-L1099 PolarHBondContact O-N 3.32Å; L1099-R1101 VanDerWaalsContact C-N 3.34Å; L1099-R1103 WeakPolarHBondContact O-CG 3.4Å; L1099-R1103 PolarHBondContact O-N 3.26Å |
| 1100 | A | 47.2 | Very low | 42.8 | Very low | 63 Ų | 63 | 127.1 Ų | 127.1 | 52% | 0.521 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -64.1 | -38.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1096 L1098 R1103 | E1096-A1100 PolarHBondContact O-N 3.36Å; L1098-A1100 VanDerWaalsContact C-N 3.33Å; L1098-A1100 PolarHBondContact O-N 2.64Å; A1100-R1103 PolarHBondContact O-N 2.99Å |
| 1101 | R | 44.3 | Very low | 43.8 | Very low | 196 Ų | 196 | 124.2 Ų | 124.2 | 74% | 0.74 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -73.2 | -35.5 | 179.4 | -124.2 | 171.5 | 179.1 | 166.2 | -1.3 | 113.1 | A1097 L1098 L1099 R1103 A1104 | A1097-R1101 PolarHBondContact O-N 3.07Å; L1098-R1101 PolarHBondContact O-N 3.3Å; L1098-R1101 VanDerWaalsContact O-N 3.13Å; L1099-R1101 VanDerWaalsContact C-N 3.34Å; R1101-R1103 PolarHBondContact O-N 3.25Å; R1101-A1104 PolarHBondContact O-N 2.99Å |
| 1102 | L | 45 | Very low | 44.7 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 59% | 0.592 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 3.2 | 174 | -78.9 | 165.2 | 0 | 0 | 0 | 114.6 | L1098 | L1098-L1102 PolarHBondContact O-N 2.9Š|
| 1103 | R | 51.9 | Low | 45.2 | Very low | 202 Ų | 202 | 122.7 Ų | 122.7 | 76% | 0.762 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 3.2 | 168.9 | -69.7 | 173.8 | 179.4 | 144.7 | -0.7 | 113 | L1099 A1100 R1101 | L1099-R1103 WeakPolarHBondContact O-CG 3.4Å; L1099-R1103 PolarHBondContact O-N 3.26Å; A1100-R1103 PolarHBondContact O-N 2.99Å; R1101-R1103 PolarHBondContact O-N 3.25Å |
| 1104 | A | 41 | Very low | 45.5 | Very low | 85 Ų | 85 | 123 Ų | 123 | 70% | 0.702 | 65% | 0.649 | S | S | * | * | trans | -121.4 | 13.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1101 | R1101-A1104 PolarHBondContact O-N 2.99Š| ||
| 1105 | L | 40.5 | Very low | 45.8 | Very low | 201 Ų | 201 | 124.2 Ų | 124.2 | 100% | 1.052 | 66% | 0.655 | S | S | * | * | trans | -124.4 | 0 | 168.6 | -72.4 | 170.5 | 0 | 0 | 0 | 107.7 |
Retrieved 1,105 of 1,105 residues in 6142.1 ms
(Link to these results)