| 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 | 53.2 | Low | 72.5 | Confident | 173 Ų | 173 | 69.1 Ų | 69.1 | 85% | 0.852 | 35% | 0.353 | S | S | * | . | 0 | -41.2 | 0 | -83.8 | -176.3 | 177 | 0 | 0 | 113.2 | A3 A4 M5 | M1-A3 PolarHBondContact O-N 2.99Å; M1-A4 PolarHBondContact O-N 3.47Å; M1-M5 PolarHBondContact O-N 2.93Å | |||
| 2 | Q | 59.3 | Low | 74 | Confident | 114 Ų | 114 | 63.3 Ų | 63.3 | 53% | 0.533 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | -174.9 | -172 | 173.7 | -21.1 | 0 | 0 | 114.9 | A4 M5 E6 V83 | Q2-A4 VanDerWaalsContact C-N 3.28Å; Q2-A4 PolarHBondContact O-N 3.22Å; Q2-M5 WeakPolarHBondContact O-CB 3.1Å; Q2-M5 PolarHBondContact O-N 3.22Å; Q2-E6 PolarHBondContact NE2-OE1 2.92Å; Q2-E6 VanDerWaalsContact NE2-OE1 3.08Å; Q2-E6 PolarHBondContact O-N 2.69Å; Q2-V83 HydrophobicContact CB-CG1 4.48Å |
| 3 | A | 65.7 | Low | 75 | Confident | 3 Ų | 3 | 69.5 Ų | 69.5 | 3% | 0.025 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54 | -42.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1 M5 E6 I7 V83 F86 | M1-A3 PolarHBondContact O-N 2.99Å; A3-M5 VanDerWaalsContact C-N 3.32Å; A3-M5 PolarHBondContact O-N 3.18Å; A3-E6 PolarHBondContact O-N 3.07Å; A3-I7 PolarHBondContact O-N 3.21Å; A3-I7 VanDerWaalsContact O-N 3.15Å; A3-V83 HydrophobicContact CB-CG1 3.86Å; A3-F86 HydrophobicContact CB-CD1 3.61Å; A3-F86 HydrophobicContact CB-CE1 3.87Å |
| 4 | A | 68.7 | Low | 75.9 | Confident | 44 Ų | 44 | 75.3 Ų | 75.3 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | M1 Q2 S8 | M1-A4 PolarHBondContact O-N 3.47Å; Q2-A4 VanDerWaalsContact C-N 3.28Å; Q2-A4 PolarHBondContact O-N 3.22Å; A4-S8 VanDerWaalsContact O-CB 3.27Å; A4-S8 WeakPolarHBondContact O-CB 3Å; A4-S8 PolarHBondContact O-N 3.22Å; A4-S8 PolarHBondContact O-OG 3.42Å |
| 5 | M | 68.5 | Low | 76.9 | Confident | 120 Ų | 120 | 74.3 Ų | 74.3 | 59% | 0.591 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67.7 | -41.1 | 177.5 | -68.1 | -179.3 | -177.7 | 0 | 0 | 112.2 | M1 Q2 A3 S8 A9 | M1-M5 PolarHBondContact O-N 2.93Å; Q2-M5 WeakPolarHBondContact O-CB 3.1Å; Q2-M5 PolarHBondContact O-N 3.22Å; A3-M5 VanDerWaalsContact C-N 3.32Å; A3-M5 PolarHBondContact O-N 3.18Å; M5-S8 PolarHBondContact O-N 3.16Å; M5-A9 WeakPolarHBondContact O-CB 3.4Å; M5-A9 PolarHBondContact O-N 2.91Å |
| 6 | E | 73.8 | Confident | 77.6 | Confident | 81 Ų | 81 | 73.3 Ų | 73.3 | 38% | 0.379 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.7 | -42.4 | -179.9 | -72.7 | 178.3 | -154.2 | 0 | 0 | 112.2 | Q2 A3 S8 A9 K10 L87 | Q2-E6 PolarHBondContact NE2-OE1 2.92Å; Q2-E6 VanDerWaalsContact NE2-OE1 3.08Å; Q2-E6 PolarHBondContact O-N 2.69Å; A3-E6 PolarHBondContact O-N 3.07Å; E6-S8 VanDerWaalsContact C-N 3.35Å; E6-A9 PolarHBondContact O-N 3.34Å; E6-K10 PolarHBondContact O-N 2.78Å; E6-L87 HydrophobicContact CB-CD2 3.96Å; E6-L87 WeakPolarHBondContact OE2-CD1 3.29Å; E6-L87 WeakPolarHBondContact OE2-CD2 3.43Å |
| 7 | I | 80.1 | Confident | 78.3 | Confident | 9 Ų | 9 | 75.4 Ų | 75.4 | 5% | 0.046 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 171.7 | -69.6 | -170.7 | 0 | 0 | 0 | 111 | A3 A9 K10 Y11 I51 I54 F86 A90 | A3-I7 PolarHBondContact O-N 3.21Å; A3-I7 VanDerWaalsContact O-N 3.15Å; I7-A9 VanDerWaalsContact C-N 3.29Å; I7-A9 PolarHBondContact O-N 2.91Å; I7-K10 PolarHBondContact O-N 2.82Å; I7-K10 VanDerWaalsContact O-N 3.16Å; I7-Y11 HydrophobicContact CG2-CD2 3.81Å; I7-Y11 HydrophobicContact CG2-CE2 4.26Å; I7-Y11 WeakPolarHBondContact O-CD2 3.5Å; I7-Y11 PolarHBondContact O-N 3.42Å; I7-I51 HydrophobicContact CG2-CB 4.33Å; I7-I51 HydrophobicContact CG2-CD1 4.04Å; I7-I51 HydrophobicContact CG2-CG1 3.71Å; I7-I51 HydrophobicContact CG2-CG2 4Å; I7-I54 HydrophobicContact CD1-CG2 3.6Å; I7-F86 HydrophobicContact CD1-CD1 4.37Å; I7-F86 HydrophobicContact CD1-CE1 3.29Å; I7-F86 HydrophobicContact CD1-CZ 3.64Å; I7-F86 HydrophobicContact CG1-CE1 4.25Å; I7-A90 HydrophobicContact CD1-CB 4.25Å |
| 8 | S | 76.8 | Confident | 79.1 | Confident | 11 Ų | 11 | 74.9 Ų | 74.9 | 8% | 0.077 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 176.6 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | A4 M5 E6 K10 C12 Y13 T45 | A4-S8 VanDerWaalsContact O-CB 3.27Å; A4-S8 WeakPolarHBondContact O-CB 3Å; A4-S8 PolarHBondContact O-N 3.22Å; A4-S8 PolarHBondContact O-OG 3.42Å; M5-S8 PolarHBondContact O-N 3.16Å; E6-S8 VanDerWaalsContact C-N 3.35Å; S8-K10 VanDerWaalsContact C-N 3.3Å; S8-K10 PolarHBondContact O-N 3.03Å; S8-C12 CarbonylContact O-C 3.58Å; S8-C12 WeakPolarHBondContact O-CA 3.07Å; S8-C12 VanDerWaalsContact O-CB 3.25Å; S8-C12 WeakPolarHBondContact O-CB 3.4Å; S8-C12 PolarHBondContact O-N 2.84Å; S8-Y13 PolarHBondContact O-N 3.49Å; S8-T45 WeakPolarHBondContact OG-CG2 3.29Å |
| 9 | A | 81.7 | Confident | 79.7 | Confident | 39 Ų | 39 | 73.6 Ų | 73.6 | 32% | 0.322 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.7 | -30.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M5 E6 I7 Y13 L16 | M5-A9 WeakPolarHBondContact O-CB 3.4Å; M5-A9 PolarHBondContact O-N 2.91Å; E6-A9 PolarHBondContact O-N 3.34Å; I7-A9 VanDerWaalsContact C-N 3.29Å; I7-A9 PolarHBondContact O-N 2.91Å; A9-Y13 WeakPolarHBondContact O-CB 3.27Å; A9-L16 HydrophobicContact CB-CD2 4.13Å |
| 10 | K | 83.9 | Confident | 80.3 | Confident | 115 Ų | 115 | 71.7 Ų | 71.7 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -76 | -43.5 | 177.6 | -169.7 | 172.2 | -178.3 | 178.7 | 0 | 112.7 | E6 I7 S8 D91 | E6-K10 PolarHBondContact O-N 2.78Å; I7-K10 PolarHBondContact O-N 2.82Å; I7-K10 VanDerWaalsContact O-N 3.16Å; S8-K10 VanDerWaalsContact C-N 3.3Å; S8-K10 PolarHBondContact O-N 3.03Å; K10-D91 IonicContact NZ-OD1 2.78Å; K10-D91 PolarHBondContact NZ-OD1 3.19Å |
| 11 | Y | 86.1 | Confident | 81 | Confident | 51 Ų | 51 | 71.8 Ų | 71.8 | 20% | 0.2 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -111.6 | -21.3 | -170.8 | -61.3 | -69.1 | 0 | 0 | 0 | 114.9 | I7 V50 I51 I54 | I7-Y11 HydrophobicContact CG2-CD2 3.81Å; I7-Y11 HydrophobicContact CG2-CE2 4.26Å; I7-Y11 WeakPolarHBondContact O-CD2 3.5Å; I7-Y11 PolarHBondContact O-N 3.42Å; Y11-V50 HydrophobicContact CD1-CB 4.24Å; Y11-V50 HydrophobicContact CD1-CG1 3.86Å; Y11-V50 HydrophobicContact CD2-CG1 4.26Å; Y11-V50 HydrophobicContact CE1-CB 4.17Å; Y11-V50 HydrophobicContact CE1-CG1 3.36Å; Y11-V50 HydrophobicContact CE2-CG1 3.79Å; Y11-V50 HydrophobicContact CG-CG1 4.29Å; Y11-I51 HydrophobicContact CD2-CG1 3.96Å; Y11-I51 HydrophobicContact CG-CG1 4.19Å; Y11-I54 HydrophobicContact CD2-CD1 4.42Å; Y11-I54 HydrophobicContact CE2-CD1 3.47Å; Y11-I54 VanDerWaalsContact CE2-CD1 3.47Å |
| 12 | C | 89.6 | Confident | 83 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -118.3 | 33.8 | 178.3 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | S8 K14 E15 L16 C44 I51 | S8-C12 CarbonylContact O-C 3.58Å; S8-C12 WeakPolarHBondContact O-CA 3.07Å; S8-C12 VanDerWaalsContact O-CB 3.25Å; S8-C12 WeakPolarHBondContact O-CB 3.4Å; S8-C12 PolarHBondContact O-N 2.84Å; C12-K14 VanDerWaalsContact C-N 3.28Å; C12-K14 PolarHBondContact O-N 2.95Å; C12-E15 PolarHBondContact O-N 3.09Å; C12-L16 WeakPolarHBondContact O-CB 3.49Å; C12-L16 PolarHBondContact O-N 2.95Å; C12-C44 VanDerWaalsContact CA-SG 3.58Å; C12-C44 HydrophobicContact CB-CB 3.8Å; C12-C44 WeakPolarHBondContact CB-SG 3.4Å; C12-C44 WeakPolarHBondContact SG-CB 3.45Å; C12-C44 CovalentContact SG-SG 2.03Å; C12-C44 PolarHBondContact SG-SG 3.42Å; C12-I51 VanDerWaalsContact SG-CD1 3.53Å |
| 13 | Y | 87.3 | Confident | 84.7 | Confident | 144 Ų | 144 | 61 Ų | 61 | 57% | 0.565 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -53.8 | -45.5 | -174.3 | 177.9 | -98.6 | 0 | 0 | 0 | 112 | S8 A9 E15 L16 E17 | S8-Y13 PolarHBondContact O-N 3.49Å; A9-Y13 WeakPolarHBondContact O-CB 3.27Å; Y13-E15 PolarHBondContact O-N 2.7Å; Y13-L16 PolarHBondContact O-N 3.38Å; Y13-E17 HydrophobicContact CE1-CB 4.27Å; Y13-E17 WeakPolarHBondContact CE1-OE2 3.49Å; Y13-E17 WeakPolarHBondContact O-CB 3.44Å; Y13-E17 PolarHBondContact O-N 2.93Å |
| 14 | K | 88.5 | Confident | 86.1 | Confident | 150 Ų | 150 | 64.6 Ų | 64.6 | 65% | 0.652 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.4 | -46.5 | -176.9 | -177.6 | 179.4 | 179.5 | -179.9 | 0 | 112.3 | C12 L16 T18 | C12-K14 VanDerWaalsContact C-N 3.28Å; C12-K14 PolarHBondContact O-N 2.95Å; K14-L16 VanDerWaalsContact C-N 3.33Å; K14-T18 WeakPolarHBondContact O-CB 3.48Å; K14-T18 PolarHBondContact O-N 3.38Å; K14-T18 PolarHBondContact O-OG1 3.38Å |
| 15 | E | 89.8 | Confident | 87.4 | Confident | 60 Ų | 60 | 66.6 Ų | 66.6 | 28% | 0.28 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 177.2 | -68.3 | 64.7 | -144.9 | 0 | 0 | 110.4 | C12 Y13 Y19 K40 V41 C44 | C12-E15 PolarHBondContact O-N 3.09Å; Y13-E15 PolarHBondContact O-N 2.7Å; E15-Y19 VanDerWaalsContact O-CB 3.29Å; E15-Y19 WeakPolarHBondContact O-CB 3.47Å; E15-Y19 PolarHBondContact O-N 3.1Å; E15-K40 HydrophobicContact CG-CB 4.34Å; E15-V41 HydrophobicContact CB-CG2 3.79Å; E15-V41 WeakPolarHBondContact O-CG2 3.48Å; E15-C44 HydrophobicContact CG-CB 4.16Å |
| 16 | L | 88.1 | Confident | 88.6 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | -179.4 | -154.6 | 97.5 | 0 | 0 | 0 | 112 | A9 C12 Y13 K14 Y19 G20 V41 | A9-L16 HydrophobicContact CB-CD2 4.13Å; C12-L16 WeakPolarHBondContact O-CB 3.49Å; C12-L16 PolarHBondContact O-N 2.95Å; Y13-L16 PolarHBondContact O-N 3.38Å; K14-L16 VanDerWaalsContact C-N 3.33Å; L16-Y19 PolarHBondContact O-N 2.9Å; L16-G20 PolarHBondContact O-N 2.94Å; L16-V41 HydrophobicContact CD1-CG1 4.1Å |
| 17 | E | 90.7 | Very high | 89.4 | Confident | 108 Ų | 108 | 63 Ų | 63 | 51% | 0.505 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 177.2 | -173.8 | -166.5 | -179.6 | 0 | 0 | 110.6 | Y13 Y19 G20 S21 | Y13-E17 HydrophobicContact CE1-CB 4.27Å; Y13-E17 WeakPolarHBondContact CE1-OE2 3.49Å; Y13-E17 WeakPolarHBondContact O-CB 3.44Å; Y13-E17 PolarHBondContact O-N 2.93Å; E17-Y19 VanDerWaalsContact C-N 3.32Å; E17-Y19 PolarHBondContact O-N 2.89Å; E17-G20 PolarHBondContact O-N 2.93Å; E17-S21 WeakPolarHBondContact O-CB 3.28Å; E17-S21 PolarHBondContact O-N 3.43Å |
| 18 | T | 91.4 | Very high | 90.1 | Very high | 68 Ų | 68 | 68.7 Ų | 68.7 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 179.4 | -53.1 | 0 | 0 | 0 | 0 | 110.8 | K14 C22 L37 | K14-T18 WeakPolarHBondContact O-CB 3.48Å; K14-T18 PolarHBondContact O-N 3.38Å; K14-T18 PolarHBondContact O-OG1 3.38Å; T18-C22 PolarHBondContact O-N 2.91Å; T18-C22 VanDerWaalsContact O-N 3.11Å; T18-L37 HydrophobicContact CG2-CD1 4.07Å; T18-L37 HydrophobicContact CG2-CD2 3.64Å; T18-L37 HydrophobicContact CG2-CG 4.49Å |
| 19 | Y | 91.7 | Very high | 90.9 | Very high | 50 Ų | 50 | 69.9 Ų | 69.9 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 174.7 | 175.2 | -111.2 | 0 | 0 | 0 | 111.9 | E15 L16 E17 S21 C22 V23 W30 C34 L37 K38 V41 | E15-Y19 VanDerWaalsContact O-CB 3.29Å; E15-Y19 WeakPolarHBondContact O-CB 3.47Å; E15-Y19 PolarHBondContact O-N 3.1Å; L16-Y19 PolarHBondContact O-N 2.9Å; E17-Y19 VanDerWaalsContact C-N 3.32Å; E17-Y19 PolarHBondContact O-N 2.89Å; Y19-S21 PolarHBondContact O-N 2.84Å; Y19-C22 WeakPolarHBondContact O-CB 3.41Å; Y19-C22 PolarHBondContact O-N 2.78Å; Y19-V23 HydrophobicContact CD1-CG2 4.45Å; Y19-V23 HydrophobicContact CD2-CG2 4.23Å; Y19-V23 HydrophobicContact CE1-CG2 4.01Å; Y19-V23 HydrophobicContact CE2-CG2 3.77Å; Y19-V23 WeakPolarHBondContact O-CG2 3.36Å; Y19-V23 PolarHBondContact O-N 2.74Å; Y19-W30 VanDerWaalsContact OH-CZ3 3.24Å; Y19-W30 WeakPolarHBondContact OH-CZ3 3.38Å; Y19-C34 HydrophobicContact CD2-CB 4.02Å; Y19-C34 HydrophobicContact CE2-CB 3.9Å; Y19-L37 HydrophobicContact CD2-CB 3.87Å; Y19-L37 HydrophobicContact CG-CB 4.47Å; Y19-K38 HydrophobicContact CD2-CB 4.15Å; Y19-K38 HydrophobicContact CE2-CB 3.7Å; Y19-K38 HydrophobicContact CE2-CG 4.43Å; Y19-V41 HydrophobicContact CG-CG2 4.38Å |
| 20 | G | 91.4 | Very high | 91.4 | Very high | 35 Ų | 35 | 71.5 Ų | 71.5 | 36% | 0.361 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L16 E17 C22 V23 A24 | L16-G20 PolarHBondContact O-N 2.94Å; E17-G20 PolarHBondContact O-N 2.93Å; G20-C22 PolarHBondContact O-N 2.9Å; G20-V23 PolarHBondContact O-N 3.32Å; G20-A24 WeakPolarHBondContact O-CB 3.32Å; G20-A24 PolarHBondContact O-N 3.21Å |
| 21 | S | 94.9 | Very high | 91.7 | Very high | 73 Ų | 73 | 71 Ų | 71 | 51% | 0.51 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 175.2 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | E17 Y19 A24 S25 | E17-S21 WeakPolarHBondContact O-CB 3.28Å; E17-S21 PolarHBondContact O-N 3.43Å; Y19-S21 PolarHBondContact O-N 2.84Å; S21-A24 PolarHBondContact O-N 3.02Å; S21-S25 WeakPolarHBondContact O-CB 3.41Å; S21-S25 PolarHBondContact O-N 3.48Å; S21-S25 PolarHBondContact O-OG 3.28Å |
| 22 | C | 94.8 | Very high | 92 | Very high | 21 Ų | 21 | 76.5 Ų | 76.5 | 14% | 0.142 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 175.1 | -178 | 0 | 0 | 0 | 0 | 112.2 | T18 Y19 G20 S25 N26 C34 L37 | T18-C22 PolarHBondContact O-N 2.91Å; T18-C22 VanDerWaalsContact O-N 3.11Å; Y19-C22 WeakPolarHBondContact O-CB 3.41Å; Y19-C22 PolarHBondContact O-N 2.78Å; G20-C22 PolarHBondContact O-N 2.9Å; C22-S25 PolarHBondContact O-N 3.31Å; C22-N26 WeakPolarHBondContact O-CB 3.41Å; C22-N26 PolarHBondContact O-N 2.79Å; C22-N26 PolarHBondContact O-ND2 3.16Å; C22-C34 HydrophobicContact CB-CB 3.89Å; C22-C34 WeakPolarHBondContact CB-SG 3.03Å; C22-C34 PolarHBondContact O-SG 2.88Å; C22-C34 VanDerWaalsContact O-SG 3.41Å; C22-C34 VanDerWaalsContact SG-CA 3.55Å; C22-C34 WeakPolarHBondContact SG-CB 3.36Å; C22-C34 CovalentContact SG-SG 2.04Å; C22-C34 PolarHBondContact SG-SG 3.31Å; C22-L37 HydrophobicContact CB-CD1 3.43Å; C22-L37 VanDerWaalsContact CB-CD1 3.43Å |
| 23 | V | 95.9 | Very high | 92.2 | Very high | 40 Ų | 40 | 83 Ų | 83 | 24% | 0.242 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 178.1 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | Y19 G20 S25 N26 W30 C34 | Y19-V23 HydrophobicContact CD1-CG2 4.45Å; Y19-V23 HydrophobicContact CD2-CG2 4.23Å; Y19-V23 HydrophobicContact CE1-CG2 4.01Å; Y19-V23 HydrophobicContact CE2-CG2 3.77Å; Y19-V23 WeakPolarHBondContact O-CG2 3.36Å; Y19-V23 PolarHBondContact O-N 2.74Å; G20-V23 PolarHBondContact O-N 3.32Å; V23-S25 VanDerWaalsContact C-N 3.26Å; V23-S25 PolarHBondContact O-N 3.05Å; V23-N26 CarbonylContact O-C 3.23Å; V23-N26 PolarHBondContact O-N 3.42Å; V23-N26 VanDerWaalsContact O-N 3.14Å; V23-W30 HydrophobicContact CB-CB 4.31Å; V23-W30 HydrophobicContact CG1-CB 4.32Å; V23-W30 HydrophobicContact CG1-CD2 4.3Å; V23-W30 HydrophobicContact CG1-CG 4.09Å; V23-W30 HydrophobicContact CG2-CB 4.09Å; V23-W30 HydrophobicContact CG2-CD2 4.27Å; V23-W30 HydrophobicContact CG2-CE3 4.01Å; V23-W30 HydrophobicContact CG2-CG 4.33Å; V23-C34 HydrophobicContact CG2-CB 4.46Å |
| 24 | A | 94.5 | Very high | 92.5 | Very high | 79 Ų | 79 | 76.2 Ų | 76.2 | 65% | 0.653 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -59.8 | -37.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G20 S21 | G20-A24 WeakPolarHBondContact O-CB 3.32Å; G20-A24 PolarHBondContact O-N 3.21Å; S21-A24 PolarHBondContact O-N 3.02Å |
| 25 | S | 96 | Very high | 92.8 | Very high | 85 Ų | 85 | 73.4 Ų | 73.4 | 59% | 0.594 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -79.5 | -15.2 | 179.2 | -57.2 | 0 | 0 | 0 | 0 | 113.9 | S21 C22 V23 | S21-S25 WeakPolarHBondContact O-CB 3.41Å; S21-S25 PolarHBondContact O-N 3.48Å; S21-S25 PolarHBondContact O-OG 3.28Å; C22-S25 PolarHBondContact O-N 3.31Å; V23-S25 VanDerWaalsContact C-N 3.26Å; V23-S25 PolarHBondContact O-N 3.05Å |
| 26 | N | 92.6 | Very high | 93 | Very high | 32 Ų | 32 | 75.9 Ų | 75.9 | 17% | 0.171 | 42% | 0.424 | C | S | . | . | trans | -133.1 | 54.6 | -175 | -62.3 | -86.4 | 0 | 0 | 0 | 112.9 | C22 V23 T28 S29 W30 K33 | C22-N26 WeakPolarHBondContact O-CB 3.41Å; C22-N26 PolarHBondContact O-N 2.79Å; C22-N26 PolarHBondContact O-ND2 3.16Å; V23-N26 CarbonylContact O-C 3.23Å; V23-N26 PolarHBondContact O-N 3.42Å; V23-N26 VanDerWaalsContact O-N 3.14Å; N26-T28 PolarHBondContact O-N 2.78Å; N26-S29 PolarHBondContact O-N 2.98Å; N26-W30 HydrophobicContact CB-CB 4.34Å; N26-W30 WeakPolarHBondContact O-CA 3.39Å; N26-W30 VanDerWaalsContact O-CB 3.26Å; N26-W30 WeakPolarHBondContact O-CB 3.42Å; N26-W30 PolarHBondContact O-N 3.48Å; N26-K33 HydrophobicContact CB-CD 4.13Å; N26-K33 WeakPolarHBondContact OD1-CD 3.25Å; N26-K33 PolarHBondContact OD1-NZ 2.97Å | ||
| 27 | P | 91.1 | Very high | 93.1 | Very high | 94 Ų | 94 | 74.7 Ų | 74.7 | 61% | 0.61 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.4 | -167.1 | 23.7 | -35.3 | 0 | 0 | 0 | 115 | ||
| 28 | T | 94.8 | Very high | 93 | Very high | 129 Ų | 129 | 75.3 Ų | 75.3 | 79% | 0.791 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -12 | -179.3 | 56.2 | 0 | 0 | 0 | 0 | 114.6 | N26 | N26-T28 PolarHBondContact O-N 2.78Š|
| 29 | S | 93.8 | Very high | 93.1 | Very high | 35 Ų | 35 | 76.2 Ų | 76.2 | 25% | 0.245 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.6 | 7.4 | -172.8 | 54.2 | 0 | 0 | 0 | 0 | 114.3 | N26 Q31 H32 K33 | N26-S29 PolarHBondContact O-N 2.98Å; S29-Q31 PolarHBondContact O-N 3Å; S29-H32 PolarHBondContact O-N 3.43Å; S29-K33 PolarHBondContact O-N 3.28Å; S29-K33 WeakPolarHBondContact OG-CD 3.42Å |
| 30 | W | 93.4 | Very high | 93 | Very high | 74 Ų | 74 | 79.6 Ų | 79.6 | 28% | 0.28 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.3 | -30.7 | -176.9 | 65.7 | -91.6 | 0 | 0 | 0 | 113.2 | Y19 V23 N26 H32 K33 C34 | Y19-W30 VanDerWaalsContact OH-CZ3 3.24Å; Y19-W30 WeakPolarHBondContact OH-CZ3 3.38Å; V23-W30 HydrophobicContact CB-CB 4.31Å; V23-W30 HydrophobicContact CG1-CB 4.32Å; V23-W30 HydrophobicContact CG1-CD2 4.3Å; V23-W30 HydrophobicContact CG1-CG 4.09Å; V23-W30 HydrophobicContact CG2-CB 4.09Å; V23-W30 HydrophobicContact CG2-CD2 4.27Å; V23-W30 HydrophobicContact CG2-CE3 4.01Å; V23-W30 HydrophobicContact CG2-CG 4.33Å; N26-W30 HydrophobicContact CB-CB 4.34Å; N26-W30 WeakPolarHBondContact O-CA 3.39Å; N26-W30 VanDerWaalsContact O-CB 3.26Å; N26-W30 WeakPolarHBondContact O-CB 3.42Å; N26-W30 PolarHBondContact O-N 3.48Å; W30-H32 PolarHBondContact O-N 2.78Å; W30-K33 PolarHBondContact O-N 3.3Å; W30-C34 WeakPolarHBondContact O-CA 3.4Å; W30-C34 VanDerWaalsContact O-CB 3.26Å; W30-C34 WeakPolarHBondContact O-CB 2.98Å; W30-C34 PolarHBondContact O-N 3.15Å |
| 31 | Q | 88.9 | Confident | 92.9 | Very high | 105 Ų | 105 | 79 Ų | 79 | 49% | 0.491 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.3 | -36.4 | -179.2 | -63.8 | 103.8 | -18.1 | 0 | 0 | 111.9 | S29 | S29-Q31 PolarHBondContact O-N 3Å |
| 32 | H | 93.8 | Very high | 92.6 | Very high | 166 Ų | 166 | 78.9 Ų | 78.9 | 77% | 0.769 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -91.5 | -49.1 | 176.5 | -71.6 | -73.9 | 0 | 0 | 0 | 111.5 | S29 W30 C34 H35 | S29-H32 PolarHBondContact O-N 3.43Å; W30-H32 PolarHBondContact O-N 2.78Å; H32-C34 VanDerWaalsContact C-N 3.32Å; H32-C34 PolarHBondContact O-N 3.13Å; H32-H35 WeakPolarHBondContact O-CB 3.14Å; H32-H35 PolarHBondContact O-N 2.95Å |
| 33 | K | 92.6 | Very high | 92.3 | Very high | 137 Ų | 137 | 84 Ų | 84 | 60% | 0.596 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -67.2 | -29.5 | -173.6 | -75 | -171 | 174.3 | -175 | 0 | 114.4 | N26 S29 W30 | N26-K33 HydrophobicContact CB-CD 4.13Å; N26-K33 WeakPolarHBondContact OD1-CD 3.25Å; N26-K33 PolarHBondContact OD1-NZ 2.97Å; S29-K33 PolarHBondContact O-N 3.28Å; S29-K33 WeakPolarHBondContact OG-CD 3.42Å; W30-K33 PolarHBondContact O-N 3.3Å |
| 34 | C | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 13.2 | -177.8 | -47.1 | 0 | 0 | 0 | 0 | 111.8 | Y19 C22 V23 W30 H32 D36 L37 K38 | Y19-C34 HydrophobicContact CD2-CB 4.02Å; Y19-C34 HydrophobicContact CE2-CB 3.9Å; C22-C34 HydrophobicContact CB-CB 3.89Å; C22-C34 WeakPolarHBondContact CB-SG 3.03Å; C22-C34 PolarHBondContact O-SG 2.88Å; C22-C34 VanDerWaalsContact O-SG 3.41Å; C22-C34 VanDerWaalsContact SG-CA 3.55Å; C22-C34 WeakPolarHBondContact SG-CB 3.36Å; C22-C34 CovalentContact SG-SG 2.04Å; C22-C34 PolarHBondContact SG-SG 3.31Å; V23-C34 HydrophobicContact CG2-CB 4.46Å; W30-C34 WeakPolarHBondContact O-CA 3.4Å; W30-C34 VanDerWaalsContact O-CB 3.26Å; W30-C34 WeakPolarHBondContact O-CB 2.98Å; W30-C34 PolarHBondContact O-N 3.15Å; H32-C34 VanDerWaalsContact C-N 3.32Å; H32-C34 PolarHBondContact O-N 3.13Å; C34-D36 PolarHBondContact O-N 3.38Å; C34-L37 PolarHBondContact O-N 3.01Å; C34-K38 PolarHBondContact O-N 2.91Å |
| 35 | H | 93.8 | Very high | 91.6 | Very high | 91 Ų | 91 | 80.1 Ų | 80.1 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58 | -47.7 | -176.8 | -176.4 | 76.7 | 0 | 0 | 0 | 112.1 | H32 L37 K38 L39 | H32-H35 WeakPolarHBondContact O-CB 3.14Å; H32-H35 PolarHBondContact O-N 2.95Å; H35-L37 VanDerWaalsContact C-N 3.26Å; H35-L37 PolarHBondContact O-N 3.32Å; H35-K38 VanDerWaalsContact O-CB 3.32Å; H35-K38 WeakPolarHBondContact O-CB 3Å; H35-K38 PolarHBondContact O-N 3.44Å; H35-K38 VanDerWaalsContact O-N 3.1Å; H35-L39 PolarHBondContact O-N 2.91Å |
| 36 | D | 93.8 | Very high | 91.1 | Very high | 112 Ų | 112 | 78.9 Ų | 78.9 | 60% | 0.599 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.7 | -34.5 | 179.9 | -63 | -17.6 | 0 | 0 | 0 | 112 | C34 L39 K40 | C34-D36 PolarHBondContact O-N 3.38Å; D36-L39 WeakPolarHBondContact O-CB 3.3Å; D36-L39 PolarHBondContact O-N 3.33Å; D36-K40 WeakPolarHBondContact O-CG 3.46Å; D36-K40 PolarHBondContact O-N 2.03Å |
| 37 | L | 91.4 | Very high | 90.8 | Very high | 34 Ų | 34 | 80.5 Ų | 80.5 | 18% | 0.178 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.2 | -38.3 | 175.5 | -64.3 | 175.1 | 0 | 0 | 0 | 111.4 | T18 Y19 C22 C34 H35 L39 K40 V41 | T18-L37 HydrophobicContact CG2-CD1 4.07Å; T18-L37 HydrophobicContact CG2-CD2 3.64Å; T18-L37 HydrophobicContact CG2-CG 4.49Å; Y19-L37 HydrophobicContact CD2-CB 3.87Å; Y19-L37 HydrophobicContact CG-CB 4.47Å; C22-L37 HydrophobicContact CB-CD1 3.43Å; C22-L37 VanDerWaalsContact CB-CD1 3.43Å; C34-L37 PolarHBondContact O-N 3.01Å; H35-L37 VanDerWaalsContact C-N 3.26Å; H35-L37 PolarHBondContact O-N 3.32Å; L37-L39 VanDerWaalsContact C-N 3.31Å; L37-L39 PolarHBondContact O-N 3.34Å; L37-K40 HydrophobicContact CD2-CD 4.33Å; L37-K40 PolarHBondContact O-N 3.43Å; L37-V41 WeakPolarHBondContact O-CG2 3.14Å; L37-V41 PolarHBondContact O-N 3.18Å |
| 38 | K | 88.9 | Confident | 90.6 | Very high | 121 Ų | 121 | 78.4 Ų | 78.4 | 53% | 0.526 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 171.4 | -176.8 | -177.5 | 174.7 | -177.6 | 0 | 111.5 | Y19 C34 H35 V41 S42 | Y19-K38 HydrophobicContact CD2-CB 4.15Å; Y19-K38 HydrophobicContact CE2-CB 3.7Å; Y19-K38 HydrophobicContact CE2-CG 4.43Å; C34-K38 PolarHBondContact O-N 2.91Å; H35-K38 VanDerWaalsContact O-CB 3.32Å; H35-K38 WeakPolarHBondContact O-CB 3Å; H35-K38 PolarHBondContact O-N 3.44Å; H35-K38 VanDerWaalsContact O-N 3.1Å; K38-V41 PolarHBondContact O-N 3.02Å; K38-S42 PolarHBondContact O-N 2.04Å |
| 39 | L | 92.2 | Very high | 90.2 | Very high | 88 Ų | 88 | 74.9 Ų | 74.9 | 46% | 0.461 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 174.9 | -70.7 | 172.9 | 0 | 0 | 0 | 111.4 | H35 D36 L37 V41 S42 Q43 | H35-L39 PolarHBondContact O-N 2.91Å; D36-L39 WeakPolarHBondContact O-CB 3.3Å; D36-L39 PolarHBondContact O-N 3.33Å; L37-L39 VanDerWaalsContact C-N 3.31Å; L37-L39 PolarHBondContact O-N 3.34Å; L39-V41 PolarHBondContact O-N 3.12Å; L39-S42 WeakPolarHBondContact O-CB 3.49Å; L39-S42 PolarHBondContact O-N 3.31Å; L39-Q43 WeakPolarHBondContact O-CB 3Å; L39-Q43 PolarHBondContact O-N 3.36Å |
| 40 | K | 90.6 | Very high | 89.9 | Confident | 121 Ų | 121 | 74.1 Ų | 74.1 | 53% | 0.526 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 175.5 | -72.5 | 178.7 | -177 | -177.9 | 0 | 112.7 | E15 D36 L37 Q43 C44 | E15-K40 HydrophobicContact CG-CB 4.34Å; D36-K40 WeakPolarHBondContact O-CG 3.46Å; D36-K40 PolarHBondContact O-N 2.03Å; L37-K40 HydrophobicContact CD2-CD 4.33Å; L37-K40 PolarHBondContact O-N 3.43Å; K40-Q43 PolarHBondContact O-N 3.36Å; K40-C44 PolarHBondContact O-N 3.35Å |
| 41 | V | 88.1 | Confident | 89.5 | Confident | 21 Ų | 21 | 70.6 Ų | 70.6 | 13% | 0.127 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.5 | -49.7 | 173 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | E15 L16 Y19 L37 K38 L39 Q43 C44 T45 | E15-V41 HydrophobicContact CB-CG2 3.79Å; E15-V41 WeakPolarHBondContact O-CG2 3.48Å; L16-V41 HydrophobicContact CD1-CG1 4.1Å; Y19-V41 HydrophobicContact CG-CG2 4.38Å; L37-V41 WeakPolarHBondContact O-CG2 3.14Å; L37-V41 PolarHBondContact O-N 3.18Å; K38-V41 PolarHBondContact O-N 3.02Å; L39-V41 PolarHBondContact O-N 3.12Å; V41-Q43 VanDerWaalsContact C-N 3.3Å; V41-Q43 PolarHBondContact O-N 2.82Å; V41-C44 PolarHBondContact O-N 3.27Å; V41-T45 HydrophobicContact CG1-CG2 4.49Å; V41-T45 VanDerWaalsContact O-CG2 3.3Å; V41-T45 WeakPolarHBondContact O-CG2 3.02Å; V41-T45 PolarHBondContact O-N 2.84Å; V41-T45 PolarHBondContact O-OG1 3.1Å |
| 42 | S | 88.6 | Confident | 89.5 | Confident | 71 Ų | 71 | 69.6 Ų | 69.6 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.2 | -44.4 | 178.3 | -173.2 | 0 | 0 | 0 | 0 | 112 | K38 L39 T45 S46 | K38-S42 PolarHBondContact O-N 2.04Å; L39-S42 WeakPolarHBondContact O-CB 3.49Å; L39-S42 PolarHBondContact O-N 3.31Å; S42-T45 PolarHBondContact O-N 3.16Å; S42-T45 PolarHBondContact O-OG1 3.2Å; S42-S46 PolarHBondContact O-N 3.12Å; S42-S46 VanDerWaalsContact O-N 3.1Å; S42-S46 PolarHBondContact O-OG 3.12Å |
| 43 | Q | 89.8 | Confident | 89.2 | Confident | 129 Ų | 129 | 64.3 Ų | 64.3 | 60% | 0.603 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.3 | -46 | -179.5 | -171.9 | 169.7 | -0.1 | 0 | 0 | 111.5 | L39 K40 V41 T45 S46 S47 | L39-Q43 WeakPolarHBondContact O-CB 3Å; L39-Q43 PolarHBondContact O-N 3.36Å; K40-Q43 PolarHBondContact O-N 3.36Å; V41-Q43 VanDerWaalsContact C-N 3.3Å; V41-Q43 PolarHBondContact O-N 2.82Å; Q43-T45 VanDerWaalsContact C-N 3.31Å; Q43-T45 PolarHBondContact O-N 2.84Å; Q43-S46 PolarHBondContact O-N 2.88Å; Q43-S46 VanDerWaalsContact O-N 3.12Å; Q43-S46 PolarHBondContact O-OG 3.4Å; Q43-S47 WeakPolarHBondContact O-CB 3.24Å; Q43-S47 PolarHBondContact O-N 3.21Å; Q43-S47 PolarHBondContact O-OG 3.11Å |
| 44 | C | 88.4 | Confident | 88.9 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.7 | -47.3 | 174.6 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | C12 E15 K40 V41 S46 S47 H48 | C12-C44 VanDerWaalsContact CA-SG 3.58Å; C12-C44 HydrophobicContact CB-CB 3.8Å; C12-C44 WeakPolarHBondContact CB-SG 3.4Å; C12-C44 WeakPolarHBondContact SG-CB 3.45Å; C12-C44 CovalentContact SG-SG 2.03Å; C12-C44 PolarHBondContact SG-SG 3.42Å; E15-C44 HydrophobicContact CG-CB 4.16Å; K40-C44 PolarHBondContact O-N 3.35Å; V41-C44 PolarHBondContact O-N 3.27Å; C44-S46 PolarHBondContact O-N 3.18Å; C44-S47 PolarHBondContact O-N 3.41Å; C44-H48 WeakPolarHBondContact O-CB 3.21Å; C44-H48 PolarHBondContact O-N 2.83Å |
| 45 | T | 86.4 | Confident | 88.5 | Confident | 18 Ų | 18 | 63 Ų | 63 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.9 | -20.3 | -179.5 | 66.5 | 0 | 0 | 0 | 0 | 114.7 | S8 V41 S42 Q43 I51 R55 | S8-T45 WeakPolarHBondContact OG-CG2 3.29Å; V41-T45 HydrophobicContact CG1-CG2 4.49Å; V41-T45 VanDerWaalsContact O-CG2 3.3Å; V41-T45 WeakPolarHBondContact O-CG2 3.02Å; V41-T45 PolarHBondContact O-N 2.84Å; V41-T45 PolarHBondContact O-OG1 3.1Å; S42-T45 PolarHBondContact O-N 3.16Å; S42-T45 PolarHBondContact O-OG1 3.2Å; Q43-T45 VanDerWaalsContact C-N 3.31Å; Q43-T45 PolarHBondContact O-N 2.84Å; T45-I51 VanDerWaalsContact O-CG2 3.29Å; T45-I51 WeakPolarHBondContact O-CG2 3.4Å; T45-R55 PolarHBondContact O-NH1 3.1Å; T45-R55 PolarHBondContact O-NH2 3.45Å; T45-R55 VanDerWaalsContact O-NH2 3.12Å |
| 46 | S | 85.7 | Confident | 88.2 | Confident | 60 Ų | 60 | 64.7 Ų | 64.7 | 42% | 0.42 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -95.5 | -29.7 | 177.9 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | S42 Q43 C44 Q52 | S42-S46 PolarHBondContact O-N 3.12Å; S42-S46 VanDerWaalsContact O-N 3.1Å; S42-S46 PolarHBondContact O-OG 3.12Å; Q43-S46 PolarHBondContact O-N 2.88Å; Q43-S46 VanDerWaalsContact O-N 3.12Å; Q43-S46 PolarHBondContact O-OG 3.4Å; C44-S46 PolarHBondContact O-N 3.18Å; S46-Q52 PolarHBondContact O-NE2 3.05Å |
| 47 | S | 87 | Confident | 88 | Confident | 66 Ų | 66 | 63 Ų | 63 | 46% | 0.462 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -105.4 | -12.3 | -175.1 | 71.2 | 0 | 0 | 0 | 0 | 114.7 | Q43 C44 P49 | Q43-S47 WeakPolarHBondContact O-CB 3.24Å; Q43-S47 PolarHBondContact O-N 3.21Å; Q43-S47 PolarHBondContact O-OG 3.11Å; C44-S47 PolarHBondContact O-N 3.41Å; S47-P49 VanDerWaalsContact O-CD 3.29Å; S47-P49 WeakPolarHBondContact O-CD 3.44Å |
| 48 | H | 86.9 | Confident | 87.9 | Confident | 49 Ų | 49 | 61.5 Ų | 61.5 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | trans | -68 | 119.9 | -177.2 | -170.2 | -57.1 | 0 | 0 | 0 | 110.3 | C44 V50 I51 Q52 | C44-H48 WeakPolarHBondContact O-CB 3.21Å; C44-H48 PolarHBondContact O-N 2.83Å; H48-V50 VanDerWaalsContact C-N 3.32Å; H48-V50 PolarHBondContact ND1-N 3.43Å; H48-V50 PolarHBondContact O-N 3.05Å; H48-I51 HydrophobicContact CB-CB 4.05Å; H48-I51 HydrophobicContact CB-CD1 3.79Å; H48-I51 HydrophobicContact CB-CG1 3.82Å; H48-I51 WeakPolarHBondContact O-CA 3.39Å; H48-I51 WeakPolarHBondContact O-CB 3.29Å; H48-I51 PolarHBondContact O-N 2.97Å; H48-Q52 PolarHBondContact O-N 3.47Å | ||
| 49 | P | 86.3 | Confident | 87.9 | Confident | 56 Ų | 56 | 57.8 Ų | 57.8 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.2 | -41.7 | -173 | -30.1 | 37.6 | 0 | 0 | 0 | 113.8 | S47 I51 Q52 K53 V98 | S47-P49 VanDerWaalsContact O-CD 3.29Å; S47-P49 WeakPolarHBondContact O-CD 3.44Å; P49-I51 PolarHBondContact O-N 3.49Å; P49-Q52 PolarHBondContact O-N 2.98Å; P49-K53 WeakPolarHBondContact O-CB 3.29Å; P49-K53 PolarHBondContact O-N 3.08Å; P49-V98 HydrophobicContact CB-CG1 3.46Å; P49-V98 VanDerWaalsContact CB-CG1 3.46Å |
| 50 | V | 86.6 | Confident | 87.7 | Confident | 18 Ų | 18 | 57.1 Ų | 57.1 | 11% | 0.109 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 174.9 | 175.7 | 0 | 0 | 0 | 0 | 112.4 | Y11 H48 Q52 K53 I54 L95 V98 | Y11-V50 HydrophobicContact CD1-CB 4.24Å; Y11-V50 HydrophobicContact CD1-CG1 3.86Å; Y11-V50 HydrophobicContact CD2-CG1 4.26Å; Y11-V50 HydrophobicContact CE1-CB 4.17Å; Y11-V50 HydrophobicContact CE1-CG1 3.36Å; Y11-V50 HydrophobicContact CE2-CG1 3.79Å; Y11-V50 HydrophobicContact CG-CG1 4.29Å; H48-V50 VanDerWaalsContact C-N 3.32Å; H48-V50 PolarHBondContact ND1-N 3.43Å; H48-V50 PolarHBondContact O-N 3.05Å; V50-Q52 VanDerWaalsContact C-N 3.35Å; V50-K53 PolarHBondContact O-N 3.26Å; V50-I54 HydrophobicContact CG1-CD1 3.71Å; V50-I54 HydrophobicContact CG1-CG1 4.38Å; V50-I54 WeakPolarHBondContact O-CD1 3.46Å; V50-I54 VanDerWaalsContact O-CG1 3.27Å; V50-I54 WeakPolarHBondContact O-CG1 3.27Å; V50-I54 PolarHBondContact O-N 3.03Å; V50-L95 HydrophobicContact CB-CD2 4.39Å; V50-L95 HydrophobicContact CG1-CD1 3.72Å; V50-L95 HydrophobicContact CG1-CD2 3.62Å; V50-L95 HydrophobicContact CG1-CG 4.33Å; V50-L95 HydrophobicContact CG2-CD2 4.37Å; V50-V98 HydrophobicContact CB-CG1 4.45Å; V50-V98 HydrophobicContact CG2-CB 4.15Å; V50-V98 HydrophobicContact CG2-CG1 3.54Å |
| 51 | I | 85.8 | Confident | 87.5 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.7 | -39.1 | 178.5 | -60.6 | -178 | 0 | 0 | 0 | 110.2 | I7 Y11 C12 T45 H48 P49 R55 | I7-I51 HydrophobicContact CG2-CB 4.33Å; I7-I51 HydrophobicContact CG2-CD1 4.04Å; I7-I51 HydrophobicContact CG2-CG1 3.71Å; I7-I51 HydrophobicContact CG2-CG2 4Å; Y11-I51 HydrophobicContact CD2-CG1 3.96Å; Y11-I51 HydrophobicContact CG-CG1 4.19Å; C12-I51 VanDerWaalsContact SG-CD1 3.53Å; T45-I51 VanDerWaalsContact O-CG2 3.29Å; T45-I51 WeakPolarHBondContact O-CG2 3.4Å; H48-I51 HydrophobicContact CB-CB 4.05Å; H48-I51 HydrophobicContact CB-CD1 3.79Å; H48-I51 HydrophobicContact CB-CG1 3.82Å; H48-I51 WeakPolarHBondContact O-CA 3.39Å; H48-I51 WeakPolarHBondContact O-CB 3.29Å; H48-I51 PolarHBondContact O-N 2.97Å; P49-I51 PolarHBondContact O-N 3.49Å; I51-R55 HydrophobicContact CG2-CG 4.45Å; I51-R55 WeakPolarHBondContact O-CB 3.39Å; I51-R55 VanDerWaalsContact O-CG 3.28Å; I51-R55 WeakPolarHBondContact O-CG 3.32Å; I51-R55 PolarHBondContact O-N 3.45Å |
| 52 | Q | 87.4 | Confident | 87.2 | Confident | 83 Ų | 83 | 55.4 Ų | 55.4 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.8 | -49.5 | 173.8 | -70.5 | -177.4 | -16.3 | 0 | 0 | 110.9 | S46 H48 P49 V50 I54 R55 E56 | S46-Q52 PolarHBondContact O-NE2 3.05Å; H48-Q52 PolarHBondContact O-N 3.47Å; P49-Q52 PolarHBondContact O-N 2.98Å; V50-Q52 VanDerWaalsContact C-N 3.35Å; Q52-I54 PolarHBondContact O-N 3.38Å; Q52-R55 WeakPolarHBondContact O-CB 2.97Å; Q52-R55 PolarHBondContact O-N 3.24Å; Q52-R55 VanDerWaalsContact O-N 3.1Å; Q52-E56 WeakPolarHBondContact O-CG 3.47Å; Q52-E56 PolarHBondContact O-N 3.39Å |
| 53 | K | 87.7 | Confident | 87.2 | Confident | 55 Ų | 55 | 57.8 Ų | 57.8 | 24% | 0.239 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 178.6 | -173.2 | 56 | 172.1 | 150.7 | 0 | 112.7 | P49 V50 E56 D57 V93 V98 | P49-K53 WeakPolarHBondContact O-CB 3.29Å; P49-K53 PolarHBondContact O-N 3.08Å; V50-K53 PolarHBondContact O-N 3.26Å; K53-E56 PolarHBondContact O-N 3.2Å; K53-D57 WeakPolarHBondContact CE-OD2 3.47Å; K53-D57 IonicContact NZ-OD1 2.91Å; K53-D57 PolarHBondContact NZ-OD1 3.42Å; K53-D57 IonicContact NZ-OD2 2.82Å; K53-D57 PolarHBondContact NZ-OD2 3.42Å; K53-D57 WeakPolarHBondContact O-CB 3.18Å; K53-D57 PolarHBondContact O-N 3.49Å; K53-V93 HydrophobicContact CG-CG1 3.91Å; K53-V98 HydrophobicContact CB-CG2 4.22Å; K53-V98 HydrophobicContact CG-CG2 4.19Å |
| 54 | I | 87.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 175.6 | -67.6 | 163.1 | 0 | 0 | 0 | 111.2 | I7 Y11 V50 Q52 E56 C58 F86 A90 V93 | I7-I54 HydrophobicContact CD1-CG2 3.6Å; Y11-I54 HydrophobicContact CD2-CD1 4.42Å; Y11-I54 HydrophobicContact CE2-CD1 3.47Å; Y11-I54 VanDerWaalsContact CE2-CD1 3.47Å; V50-I54 HydrophobicContact CG1-CD1 3.71Å; V50-I54 HydrophobicContact CG1-CG1 4.38Å; V50-I54 WeakPolarHBondContact O-CD1 3.46Å; V50-I54 VanDerWaalsContact O-CG1 3.27Å; V50-I54 WeakPolarHBondContact O-CG1 3.27Å; V50-I54 PolarHBondContact O-N 3.03Å; Q52-I54 PolarHBondContact O-N 3.38Å; I54-E56 VanDerWaalsContact C-N 3.29Å; I54-E56 PolarHBondContact O-N 3.32Å; I54-C58 HydrophobicContact CG2-CB 4.43Å; I54-C58 WeakPolarHBondContact O-CA 3.46Å; I54-C58 WeakPolarHBondContact O-CB 3.42Å; I54-C58 PolarHBondContact O-N 2.96Å; I54-F86 HydrophobicContact CG2-CZ 4.19Å; I54-A90 HydrophobicContact CD1-CB 4.31Å; I54-A90 HydrophobicContact CG1-CB 4.42Å; I54-A90 HydrophobicContact CG2-CB 3.5Å; I54-V93 HydrophobicContact CG1-CB 4.28Å; I54-V93 HydrophobicContact CG1-CG1 4.36Å; I54-V93 HydrophobicContact CG1-CG2 4.1Å |
| 55 | R | 85.3 | Confident | 87 | Confident | 111 Ų | 111 | 56 Ų | 56 | 42% | 0.419 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.5 | -38 | 177.5 | -78.4 | 176.7 | 178.4 | -179.5 | 4.6 | 112 | T45 I51 Q52 S59 | T45-R55 PolarHBondContact O-NH1 3.1Å; T45-R55 PolarHBondContact O-NH2 3.45Å; T45-R55 VanDerWaalsContact O-NH2 3.12Å; I51-R55 HydrophobicContact CG2-CG 4.45Å; I51-R55 WeakPolarHBondContact O-CB 3.39Å; I51-R55 VanDerWaalsContact O-CG 3.28Å; I51-R55 WeakPolarHBondContact O-CG 3.32Å; I51-R55 PolarHBondContact O-N 3.45Å; Q52-R55 WeakPolarHBondContact O-CB 2.97Å; Q52-R55 PolarHBondContact O-N 3.24Å; Q52-R55 VanDerWaalsContact O-N 3.1Å; R55-S59 VanDerWaalsContact O-CA 3.24Å; R55-S59 WeakPolarHBondContact O-CA 3.34Å; R55-S59 WeakPolarHBondContact O-CB 3.39Å; R55-S59 PolarHBondContact O-N 3.33Å; R55-S59 VanDerWaalsContact O-N 3.12Å |
| 56 | E | 87 | Confident | 87 | Confident | 125 Ų | 125 | 59.2 Ų | 59.2 | 58% | 0.584 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68.5 | -57.5 | 176.9 | -72.3 | 171 | -175.2 | 0 | 0 | 111 | Q52 K53 I54 C58 S59 | Q52-E56 WeakPolarHBondContact O-CG 3.47Å; Q52-E56 PolarHBondContact O-N 3.39Å; K53-E56 PolarHBondContact O-N 3.2Å; I54-E56 VanDerWaalsContact C-N 3.29Å; I54-E56 PolarHBondContact O-N 3.32Å; E56-C58 VanDerWaalsContact C-N 3.34Å; E56-C58 PolarHBondContact O-N 3.1Å; E56-S59 WeakPolarHBondContact O-CB 3.17Å; E56-S59 PolarHBondContact O-N 3.48Å; E56-S59 PolarHBondContact O-OG 3Å |
| 57 | D | 89.7 | Confident | 87.2 | Confident | 78 Ų | 78 | 60.7 Ų | 60.7 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.7 | -30.9 | -173.2 | -69.6 | -3.4 | 0 | 0 | 0 | 112.6 | K53 V93 | K53-D57 WeakPolarHBondContact CE-OD2 3.47Å; K53-D57 IonicContact NZ-OD1 2.91Å; K53-D57 PolarHBondContact NZ-OD1 3.42Å; K53-D57 IonicContact NZ-OD2 2.82Å; K53-D57 PolarHBondContact NZ-OD2 3.42Å; K53-D57 WeakPolarHBondContact O-CB 3.18Å; K53-D57 PolarHBondContact O-N 3.49Å; D57-V93 HydrophobicContact CB-CG2 4.12Å |
| 58 | C | 90.2 | Very high | 87.3 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 11.9 | -179.8 | -54.6 | 0 | 0 | 0 | 0 | 113.7 | I54 E56 T60 E61 F62 F86 C89 A90 V93 | I54-C58 HydrophobicContact CG2-CB 4.43Å; I54-C58 WeakPolarHBondContact O-CA 3.46Å; I54-C58 WeakPolarHBondContact O-CB 3.42Å; I54-C58 PolarHBondContact O-N 2.96Å; E56-C58 VanDerWaalsContact C-N 3.34Å; E56-C58 PolarHBondContact O-N 3.1Å; C58-T60 PolarHBondContact O-N 3.31Å; C58-E61 PolarHBondContact O-N 3.24Å; C58-E61 VanDerWaalsContact O-N 3.16Å; C58-F62 PolarHBondContact O-N 3.47Å; C58-F86 HydrophobicContact CB-CD2 3.82Å; C58-F86 HydrophobicContact CB-CE2 3.78Å; C58-F86 WeakPolarHBondContact O-CD2 3.06Å; C58-C89 WeakPolarHBondContact CA-SG 3.27Å; C58-C89 HydrophobicContact CB-CB 3.74Å; C58-C89 WeakPolarHBondContact CB-SG 3.34Å; C58-C89 WeakPolarHBondContact SG-CB 3.45Å; C58-C89 CovalentContact SG-SG 2.04Å; C58-C89 PolarHBondContact SG-SG 2.57Å; C58-A90 PolarHBondContact SG-N 3.43Å; C58-A90 VanDerWaalsContact SG-N 3.44Å; C58-V93 VanDerWaalsContact SG-CG2 3.56Å |
| 59 | S | 88.1 | Confident | 87.4 | Confident | 42 Ų | 42 | 58.3 Ų | 58.3 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -50.2 | -40.8 | -179.2 | 49.8 | 0 | 0 | 0 | 0 | 112.9 | R55 E56 E61 F62 E63 | R55-S59 VanDerWaalsContact O-CA 3.24Å; R55-S59 WeakPolarHBondContact O-CA 3.34Å; R55-S59 WeakPolarHBondContact O-CB 3.39Å; R55-S59 PolarHBondContact O-N 3.33Å; R55-S59 VanDerWaalsContact O-N 3.12Å; E56-S59 WeakPolarHBondContact O-CB 3.17Å; E56-S59 PolarHBondContact O-N 3.48Å; E56-S59 PolarHBondContact O-OG 3Å; S59-E61 PolarHBondContact O-N 2.75Å; S59-F62 CarbonylContact O-C 3.42Å; S59-F62 WeakPolarHBondContact O-CA 3.43Å; S59-F62 WeakPolarHBondContact O-CB 3.07Å; S59-F62 PolarHBondContact O-N 3.19Å; S59-E63 WeakPolarHBondContact O-CG 3.44Å; S59-E63 PolarHBondContact O-N 2.85Å |
| 60 | T | 88.9 | Confident | 87.4 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 45% | 0.454 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59 | -41 | -178.8 | -56.5 | 0 | 0 | 0 | 0 | 113.5 | C58 F62 K64 | C58-T60 PolarHBondContact O-N 3.31Å; T60-F62 VanDerWaalsContact C-N 3.31Å; T60-K64 WeakPolarHBondContact O-CG 3.36Å; T60-K64 PolarHBondContact O-N 2.96Å; T60-K64 VanDerWaalsContact O-N 3.16Å |
| 61 | E | 85.1 | Confident | 87.7 | Confident | 30 Ų | 30 | 67.8 Ų | 67.8 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -73.1 | -29.7 | 178 | -66.8 | -56.8 | 130.4 | 0 | 0 | 111.4 | C58 S59 K64 F65 R85 F86 | C58-E61 PolarHBondContact O-N 3.24Å; C58-E61 VanDerWaalsContact O-N 3.16Å; S59-E61 PolarHBondContact O-N 2.75Å; E61-K64 IonicContact OE1-NZ 2.75Å; E61-K64 PolarHBondContact OE1-NZ 3.32Å; E61-F65 PolarHBondContact O-N 2.97Å; E61-F65 VanDerWaalsContact O-N 3.1Å; E61-R85 HydrophobicContact CB-CB 4.47Å; E61-R85 HydrophobicContact CG-CB 4.04Å; E61-R85 WeakPolarHBondContact OE2-CB 3.49Å; E61-R85 WeakPolarHBondContact OE2-CD 3.17Å; E61-F86 HydrophobicContact CB-CB 3.95Å; E61-F86 HydrophobicContact CB-CD2 4.44Å |
| 62 | F | 83.1 | Confident | 87.8 | Confident | 77 Ų | 77 | 70.3 Ų | 70.3 | 34% | 0.338 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.7 | -44.1 | 173.2 | -170.3 | -99.3 | 0 | 0 | 0 | 112.1 | C58 S59 T60 K64 F65 E66 F86 | C58-F62 PolarHBondContact O-N 3.47Å; S59-F62 CarbonylContact O-C 3.42Å; S59-F62 WeakPolarHBondContact O-CA 3.43Å; S59-F62 WeakPolarHBondContact O-CB 3.07Å; S59-F62 PolarHBondContact O-N 3.19Å; T60-F62 VanDerWaalsContact C-N 3.31Å; F62-K64 VanDerWaalsContact C-N 3.33Å; F62-K64 PolarHBondContact O-N 2.96Å; F62-F65 WeakPolarHBondContact O-CB 3.07Å; F62-F65 PolarHBondContact O-N 2.99Å; F62-F65 VanDerWaalsContact O-N 3.14Å; F62-E66 HydrophobicContact CD1-CG 4.17Å; F62-E66 VanDerWaalsContact CE1-CD 3.46Å; F62-E66 HydrophobicContact CE1-CG 3.81Å; F62-E66 HydrophobicContact CZ-CG 4.24Å; F62-E66 PolarHBondContact O-N 2.99Å; F62-F86 HydrophobicContact CB-CD2 3.95Å; F62-F86 HydrophobicContact CB-CE2 3.98Å; F62-F86 HydrophobicContact CD2-CE2 4.39Å |
| 63 | E | 87.6 | Confident | 87.7 | Confident | 121 Ų | 121 | 73.3 Ų | 73.3 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.5 | -41.5 | 175.7 | -71.9 | 174.6 | 174.3 | 0 | 0 | 111.9 | S59 F65 E66 Q67 | S59-E63 WeakPolarHBondContact O-CG 3.44Å; S59-E63 PolarHBondContact O-N 2.85Å; E63-F65 VanDerWaalsContact C-N 3.33Å; E63-F65 PolarHBondContact O-N 3.33Å; E63-E66 PolarHBondContact O-N 3.34Å; E63-Q67 WeakPolarHBondContact O-CB 3.39Å; E63-Q67 PolarHBondContact O-N 3.45Å |
| 64 | K | 89.3 | Confident | 87.8 | Confident | 90 Ų | 90 | 77 Ų | 77 | 39% | 0.391 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 174.4 | -70.8 | 172.8 | -171.1 | 165.5 | 0 | 112.1 | T60 E61 F62 Q67 C68 | T60-K64 WeakPolarHBondContact O-CG 3.36Å; T60-K64 PolarHBondContact O-N 2.96Å; T60-K64 VanDerWaalsContact O-N 3.16Å; E61-K64 IonicContact OE1-NZ 2.75Å; E61-K64 PolarHBondContact OE1-NZ 3.32Å; F62-K64 VanDerWaalsContact C-N 3.33Å; F62-K64 PolarHBondContact O-N 2.96Å; K64-Q67 PolarHBondContact O-N 3.05Å; K64-C68 WeakPolarHBondContact O-CB 3.44Å; K64-C68 PolarHBondContact O-N 3.1Å |
| 65 | F | 86.1 | Confident | 87.8 | Confident | 19 Ų | 19 | 79.7 Ų | 79.7 | 8% | 0.083 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.8 | -47 | 173.7 | 173.8 | -111.7 | 0 | 0 | 0 | 111.4 | E61 F62 E63 C68 L69 C79 H82 V83 | E61-F65 PolarHBondContact O-N 2.97Å; E61-F65 VanDerWaalsContact O-N 3.1Å; F62-F65 WeakPolarHBondContact O-CB 3.07Å; F62-F65 PolarHBondContact O-N 2.99Å; F62-F65 VanDerWaalsContact O-N 3.14Å; E63-F65 VanDerWaalsContact C-N 3.33Å; E63-F65 PolarHBondContact O-N 3.33Å; F65-C68 PolarHBondContact O-N 3.16Å; F65-L69 HydrophobicContact CD1-CD1 4.16Å; F65-L69 HydrophobicContact CE1-CD1 3.5Å; F65-L69 VanDerWaalsContact CE1-CD1 3.5Å; F65-L69 HydrophobicContact CE1-CG 4.27Å; F65-L69 HydrophobicContact CE2-CD1 4.13Å; F65-L69 HydrophobicContact CE2-CD2 4.21Å; F65-L69 HydrophobicContact CE2-CG 4.06Å; F65-L69 HydrophobicContact CZ-CD1 3.49Å; F65-L69 VanDerWaalsContact CZ-CD1 3.49Å; F65-L69 HydrophobicContact CZ-CD2 4.18Å; F65-L69 HydrophobicContact CZ-CG 3.94Å; F65-L69 WeakPolarHBondContact O-CG 3.45Å; F65-L69 PolarHBondContact O-N 2.87Å; F65-C79 HydrophobicContact CD2-CB 3.82Å; F65-C79 HydrophobicContact CE2-CB 3.82Å; F65-H82 HydrophobicContact CB-CB 3.62Å; F65-H82 HydrophobicContact CD2-CB 4.16Å; F65-H82 HydrophobicContact CG-CB 4.38Å; F65-V83 HydrophobicContact CD2-CG2 3.66Å; F65-V83 HydrophobicContact CE2-CG2 3.51Å; F65-V83 HydrophobicContact CG-CG2 4.24Å; F65-V83 HydrophobicContact CZ-CG2 3.97Å |
| 66 | E | 86.5 | Confident | 87.5 | Confident | 87 Ų | 87 | 77.6 Ų | 77.6 | 41% | 0.407 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 177.6 | -70 | -162.8 | 129.9 | 0 | 0 | 112.5 | F62 E63 L69 K70 | F62-E66 HydrophobicContact CD1-CG 4.17Å; F62-E66 VanDerWaalsContact CE1-CD 3.46Å; F62-E66 HydrophobicContact CE1-CG 3.81Å; F62-E66 HydrophobicContact CZ-CG 4.24Å; F62-E66 PolarHBondContact O-N 2.99Å; E63-E66 PolarHBondContact O-N 3.34Å; E66-L69 PolarHBondContact O-N 3.41Å; E66-K70 WeakPolarHBondContact O-CG 3.47Å; E66-K70 PolarHBondContact O-N 3.32Å |
| 67 | Q | 89 | Confident | 87.4 | Confident | 91 Ų | 91 | 77 Ų | 77 | 43% | 0.425 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 175.2 | -174.5 | 60.3 | 27.1 | 0 | 0 | 111.1 | E63 K64 L69 K70 E71 | E63-Q67 WeakPolarHBondContact O-CB 3.39Å; E63-Q67 PolarHBondContact O-N 3.45Å; K64-Q67 PolarHBondContact O-N 3.05Å; Q67-L69 VanDerWaalsContact C-N 3.31Å; Q67-L69 PolarHBondContact O-N 2.97Å; Q67-K70 WeakPolarHBondContact O-CB 3.26Å; Q67-K70 PolarHBondContact O-N 3.25Å; Q67-E71 PolarHBondContact NE2-OE1 3.31Å; Q67-E71 WeakPolarHBondContact O-CG 3.31Å; Q67-E71 PolarHBondContact O-N 2.93Å |
| 68 | C | 89.9 | Confident | 87.3 | Confident | 12 Ų | 12 | 76.1 Ų | 76.1 | 8% | 0.081 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.3 | -43 | 175.4 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | K64 F65 K70 E71 N72 C79 | K64-C68 WeakPolarHBondContact O-CB 3.44Å; K64-C68 PolarHBondContact O-N 3.1Å; F65-C68 PolarHBondContact O-N 3.16Å; C68-K70 PolarHBondContact O-N 3.28Å; C68-E71 PolarHBondContact O-N 3.48Å; C68-N72 VanDerWaalsContact O-CB 3.27Å; C68-N72 WeakPolarHBondContact O-CB 3.39Å; C68-N72 PolarHBondContact O-N 2.92Å; C68-N72 PolarHBondContact O-ND2 2.04Å; C68-C79 HydrophobicContact CB-CB 3.77Å; C68-C79 WeakPolarHBondContact CB-SG 3.35Å; C68-C79 PolarHBondContact O-SG 3.42Å; C68-C79 WeakPolarHBondContact SG-CA 3.47Å; C68-C79 WeakPolarHBondContact SG-CB 3.36Å; C68-C79 CovalentContact SG-SG 2.04Å; C68-C79 PolarHBondContact SG-SG 2.98Å |
| 69 | L | 87.6 | Confident | 87.3 | Confident | 52 Ų | 52 | 76 Ų | 76 | 27% | 0.272 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 177.1 | -73.6 | 179.4 | 0 | 0 | 0 | 112.5 | F65 E66 Q67 E71 N72 L73 P76 C79 | F65-L69 HydrophobicContact CD1-CD1 4.16Å; F65-L69 HydrophobicContact CE1-CD1 3.5Å; F65-L69 VanDerWaalsContact CE1-CD1 3.5Å; F65-L69 HydrophobicContact CE1-CG 4.27Å; F65-L69 HydrophobicContact CE2-CD1 4.13Å; F65-L69 HydrophobicContact CE2-CD2 4.21Å; F65-L69 HydrophobicContact CE2-CG 4.06Å; F65-L69 HydrophobicContact CZ-CD1 3.49Å; F65-L69 VanDerWaalsContact CZ-CD1 3.49Å; F65-L69 HydrophobicContact CZ-CD2 4.18Å; F65-L69 HydrophobicContact CZ-CG 3.94Å; F65-L69 WeakPolarHBondContact O-CG 3.45Å; F65-L69 PolarHBondContact O-N 2.87Å; E66-L69 PolarHBondContact O-N 3.41Å; Q67-L69 VanDerWaalsContact C-N 3.31Å; Q67-L69 PolarHBondContact O-N 2.97Å; L69-E71 VanDerWaalsContact C-N 3.26Å; L69-E71 PolarHBondContact O-N 3.2Å; L69-N72 CarbonylContact O-C 3.55Å; L69-N72 PolarHBondContact O-N 3.48Å; L69-L73 WeakPolarHBondContact O-CD2 3.49Å; L69-L73 PolarHBondContact O-N 3.02Å; L69-P76 HydrophobicContact CD2-CB 3.53Å; L69-C79 HydrophobicContact CD2-CB 4.29Å; L69-C79 PolarHBondContact N-SG 3.32Å |
| 70 | K | 87.8 | Confident | 87.2 | Confident | 142 Ų | 142 | 76.5 Ų | 76.5 | 62% | 0.617 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.5 | -37.1 | 176.4 | -72 | 170.6 | -175 | 169.4 | 0 | 111.6 | E66 Q67 C68 | E66-K70 WeakPolarHBondContact O-CG 3.47Å; E66-K70 PolarHBondContact O-N 3.32Å; Q67-K70 WeakPolarHBondContact O-CB 3.26Å; Q67-K70 PolarHBondContact O-N 3.25Å; C68-K70 PolarHBondContact O-N 3.28Å |
| 71 | E | 92 | Very high | 87.2 | Confident | 132 Ų | 132 | 76.5 Ų | 76.5 | 62% | 0.617 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -81.1 | -26 | 179.1 | -68.1 | 172 | -175.9 | 0 | 0 | 113.1 | Q67 C68 L69 | Q67-E71 PolarHBondContact NE2-OE1 3.31Å; Q67-E71 WeakPolarHBondContact O-CG 3.31Å; Q67-E71 PolarHBondContact O-N 2.93Å; C68-E71 PolarHBondContact O-N 3.48Å; L69-E71 VanDerWaalsContact C-N 3.26Å; L69-E71 PolarHBondContact O-N 3.2Å |
| 72 | N | 88.6 | Confident | 87.3 | Confident | 54 Ų | 54 | 77.4 Ų | 77.4 | 29% | 0.289 | 41% | 0.413 | S | S | . | . | trans | -122 | 48.3 | -171.2 | -63.2 | -91.2 | 0 | 0 | 0 | 112.7 | C68 L69 T74 S75 | C68-N72 VanDerWaalsContact O-CB 3.27Å; C68-N72 WeakPolarHBondContact O-CB 3.39Å; C68-N72 PolarHBondContact O-N 2.92Å; C68-N72 PolarHBondContact O-ND2 2.04Å; L69-N72 CarbonylContact O-C 3.55Å; L69-N72 PolarHBondContact O-N 3.48Å; N72-T74 PolarHBondContact O-N 3.44Å; N72-T74 VanDerWaalsContact O-N 3.12Å; N72-S75 CarbonylContact O-C 3.52Å; N72-S75 VanDerWaalsContact O-C 3.23Å; N72-S75 PolarHBondContact O-N 2.89Å | ||
| 73 | L | 84.5 | Confident | 87.3 | Confident | 145 Ų | 145 | 74.1 Ų | 74.1 | 76% | 0.759 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.9 | -177.6 | -66.5 | 173.6 | 0 | 0 | 0 | 113.9 | L69 | L69-L73 WeakPolarHBondContact O-CD2 3.49Å; L69-L73 PolarHBondContact O-N 3.02Å |
| 74 | T | 89.8 | Confident | 87.2 | Confident | 134 Ų | 134 | 73 Ų | 73 | 82% | 0.822 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -8.9 | 179.6 | 57 | 0 | 0 | 0 | 0 | 113.3 | N72 | N72-T74 PolarHBondContact O-N 3.44Å; N72-T74 VanDerWaalsContact O-N 3.12Å |
| 75 | S | 87.2 | Confident | 87.2 | Confident | 56 Ų | 56 | 76.2 Ų | 76.2 | 39% | 0.392 | 41% | 0.41 | S | S | . | . | trans | -143.2 | 55.8 | -177.1 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | N72 T77 S78 | N72-S75 CarbonylContact O-C 3.52Å; N72-S75 VanDerWaalsContact O-C 3.23Å; N72-S75 PolarHBondContact O-N 2.89Å; S75-T77 PolarHBondContact O-N 3.06Å; S75-S78 WeakPolarHBondContact O-CB 3.24Å; S75-S78 PolarHBondContact O-N 3.27Å; S75-S78 PolarHBondContact O-OG 3.14Å | ||
| 76 | P | 80.1 | Confident | 87.3 | Confident | 66 Ų | 66 | 75.8 Ų | 75.8 | 43% | 0.429 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -62.7 | -19 | -175.5 | 26.2 | -36 | 0 | 0 | 0 | 113.7 | L69 S78 C79 | L69-P76 HydrophobicContact CD2-CB 3.53Å; P76-S78 VanDerWaalsContact C-N 3.26Å; P76-S78 PolarHBondContact O-N 3.34Å; P76-C79 WeakPolarHBondContact O-CB 3.32Å; P76-C79 PolarHBondContact O-N 3.48Å |
| 77 | T | 84.8 | Confident | 87.2 | Confident | 113 Ų | 113 | 73.2 Ų | 73.2 | 69% | 0.693 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -67.2 | -24.2 | 175.6 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | S75 C79 S80 | S75-T77 PolarHBondContact O-N 3.06Å; T77-C79 PolarHBondContact O-N 2.92Å; T77-S80 WeakPolarHBondContact O-CB 3.45Å; T77-S80 PolarHBondContact O-N 3.48Å; T77-S80 PolarHBondContact O-OG 3.14Å |
| 78 | S | 88.3 | Confident | 87.1 | Confident | 60 Ų | 60 | 70.8 Ų | 70.8 | 42% | 0.42 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -65.2 | -20.6 | 175.5 | 70 | 0 | 0 | 0 | 0 | 112.6 | S75 P76 S80 P81 | S75-S78 WeakPolarHBondContact O-CB 3.24Å; S75-S78 PolarHBondContact O-N 3.27Å; S75-S78 PolarHBondContact O-OG 3.14Å; P76-S78 VanDerWaalsContact C-N 3.26Å; P76-S78 PolarHBondContact O-N 3.34Å; S78-S80 VanDerWaalsContact C-N 3.32Å; S78-S80 PolarHBondContact O-N 2.92Å; S78-P81 WeakPolarHBondContact O-CD 3.47Å |
| 79 | C | 88.9 | Confident | 87 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -84.1 | -2.5 | -179.9 | -55.1 | 0 | 0 | 0 | 0 | 114 | F65 C68 L69 P76 T77 P81 H82 | F65-C79 HydrophobicContact CD2-CB 3.82Å; F65-C79 HydrophobicContact CE2-CB 3.82Å; C68-C79 HydrophobicContact CB-CB 3.77Å; C68-C79 WeakPolarHBondContact CB-SG 3.35Å; C68-C79 PolarHBondContact O-SG 3.42Å; C68-C79 WeakPolarHBondContact SG-CA 3.47Å; C68-C79 WeakPolarHBondContact SG-CB 3.36Å; C68-C79 CovalentContact SG-SG 2.04Å; C68-C79 PolarHBondContact SG-SG 2.98Å; L69-C79 HydrophobicContact CD2-CB 4.29Å; L69-C79 PolarHBondContact N-SG 3.32Å; P76-C79 WeakPolarHBondContact O-CB 3.32Å; P76-C79 PolarHBondContact O-N 3.48Å; T77-C79 PolarHBondContact O-N 2.92Å; C79-P81 VanDerWaalsContact C-N 3.3Å; C79-H82 WeakPolarHBondContact O-CB 3.05Å; C79-H82 PolarHBondContact O-N 3.05Å |
| 80 | S | 85.7 | Confident | 87 | Confident | 52 Ų | 52 | 69.5 Ų | 69.5 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -53.3 | -33.8 | 179.1 | -54 | 0 | 0 | 0 | 0 | 114.8 | T77 S78 H82 V83 T84 | T77-S80 WeakPolarHBondContact O-CB 3.45Å; T77-S80 PolarHBondContact O-N 3.48Å; T77-S80 PolarHBondContact O-OG 3.14Å; S78-S80 VanDerWaalsContact C-N 3.32Å; S78-S80 PolarHBondContact O-N 2.92Å; S80-H82 PolarHBondContact O-N 3.49Å; S80-V83 WeakPolarHBondContact O-CA 3.34Å; S80-V83 VanDerWaalsContact O-CB 3.31Å; S80-V83 WeakPolarHBondContact O-CB 3.26Å; S80-V83 PolarHBondContact O-N 2.83Å; S80-T84 PolarHBondContact O-N 2.96Å; S80-T84 VanDerWaalsContact O-N 3.1Å; S80-T84 PolarHBondContact O-OG1 2.69Å |
| 81 | P | 89.8 | Confident | 87 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.8 | -31.6 | 175.7 | -25.9 | 36.3 | 0 | 0 | 0 | 114.1 | S78 C79 V83 T84 R85 | S78-P81 WeakPolarHBondContact O-CD 3.47Å; C79-P81 VanDerWaalsContact C-N 3.3Å; P81-V83 VanDerWaalsContact C-N 3.32Å; P81-T84 PolarHBondContact O-N 2.85Å; P81-R85 WeakPolarHBondContact O-CG 3.37Å; P81-R85 PolarHBondContact O-N 3.24Å |
| 82 | H | 86.8 | Confident | 86.7 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 23% | 0.227 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69 | -33.4 | 175.1 | -61.9 | -69.4 | 0 | 0 | 0 | 111.7 | F65 C79 S80 R85 F86 | F65-H82 HydrophobicContact CB-CB 3.62Å; F65-H82 HydrophobicContact CD2-CB 4.16Å; F65-H82 HydrophobicContact CG-CB 4.38Å; C79-H82 WeakPolarHBondContact O-CB 3.05Å; C79-H82 PolarHBondContact O-N 3.05Å; S80-H82 PolarHBondContact O-N 3.49Å; H82-R85 PolarHBondContact O-N 3.49Å; H82-F86 WeakPolarHBondContact O-CB 3.4Å; H82-F86 PolarHBondContact O-N 3.23Å |
| 83 | V | 83 | Confident | 86.7 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 6% | 0.055 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 172.4 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | Q2 A3 F65 S80 P81 R85 F86 L87 | Q2-V83 HydrophobicContact CB-CG1 4.48Å; A3-V83 HydrophobicContact CB-CG1 3.86Å; F65-V83 HydrophobicContact CD2-CG2 3.66Å; F65-V83 HydrophobicContact CE2-CG2 3.51Å; F65-V83 HydrophobicContact CG-CG2 4.24Å; F65-V83 HydrophobicContact CZ-CG2 3.97Å; S80-V83 WeakPolarHBondContact O-CA 3.34Å; S80-V83 VanDerWaalsContact O-CB 3.31Å; S80-V83 WeakPolarHBondContact O-CB 3.26Å; S80-V83 PolarHBondContact O-N 2.83Å; P81-V83 VanDerWaalsContact C-N 3.32Å; V83-R85 VanDerWaalsContact C-N 3.32Å; V83-R85 PolarHBondContact O-N 2.99Å; V83-F86 PolarHBondContact O-N 3.04Å; V83-L87 HydrophobicContact CG1-CD1 3.84Å; V83-L87 HydrophobicContact CG1-CG 4.43Å; V83-L87 VanDerWaalsContact O-CG 3.29Å; V83-L87 WeakPolarHBondContact O-CG 3.38Å; V83-L87 PolarHBondContact O-N 2.98Å |
| 84 | T | 86.5 | Confident | 86.7 | Confident | 98 Ų | 98 | 62.6 Ų | 62.6 | 60% | 0.601 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.4 | -40.6 | 177 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | S80 P81 L87 G88 | S80-T84 PolarHBondContact O-N 2.96Å; S80-T84 VanDerWaalsContact O-N 3.1Å; S80-T84 PolarHBondContact O-OG1 2.69Å; P81-T84 PolarHBondContact O-N 2.85Å; T84-L87 PolarHBondContact O-N 3.48Å; T84-G88 PolarHBondContact O-N 3.42Å |
| 85 | R | 88.5 | Confident | 86.4 | Confident | 157 Ų | 157 | 58.4 Ų | 58.4 | 59% | 0.592 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.5 | -41.5 | 176.1 | -71 | 172.5 | -177.4 | -103.8 | -0.3 | 112.5 | E61 P81 H82 V83 L87 G88 C89 | E61-R85 HydrophobicContact CB-CB 4.47Å; E61-R85 HydrophobicContact CG-CB 4.04Å; E61-R85 WeakPolarHBondContact OE2-CB 3.49Å; E61-R85 WeakPolarHBondContact OE2-CD 3.17Å; P81-R85 WeakPolarHBondContact O-CG 3.37Å; P81-R85 PolarHBondContact O-N 3.24Å; H82-R85 PolarHBondContact O-N 3.49Å; V83-R85 VanDerWaalsContact C-N 3.32Å; V83-R85 PolarHBondContact O-N 2.99Å; R85-L87 VanDerWaalsContact C-N 3.34Å; R85-L87 PolarHBondContact O-N 3.19Å; R85-G88 PolarHBondContact O-N 3.27Å; R85-C89 PolarHBondContact O-N 2.04Å |
| 86 | F | 87.2 | Confident | 86 | Confident | 10 Ų | 10 | 59.4 Ų | 59.4 | 4% | 0.044 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 175.7 | 175.6 | -95 | 0 | 0 | 0 | 111.9 | A3 I7 I54 C58 E61 F62 H82 V83 C89 A90 | A3-F86 HydrophobicContact CB-CD1 3.61Å; A3-F86 HydrophobicContact CB-CE1 3.87Å; I7-F86 HydrophobicContact CD1-CD1 4.37Å; I7-F86 HydrophobicContact CD1-CE1 3.29Å; I7-F86 HydrophobicContact CD1-CZ 3.64Å; I7-F86 HydrophobicContact CG1-CE1 4.25Å; I54-F86 HydrophobicContact CG2-CZ 4.19Å; C58-F86 HydrophobicContact CB-CD2 3.82Å; C58-F86 HydrophobicContact CB-CE2 3.78Å; C58-F86 WeakPolarHBondContact O-CD2 3.06Å; E61-F86 HydrophobicContact CB-CB 3.95Å; E61-F86 HydrophobicContact CB-CD2 4.44Å; F62-F86 HydrophobicContact CB-CD2 3.95Å; F62-F86 HydrophobicContact CB-CE2 3.98Å; F62-F86 HydrophobicContact CD2-CE2 4.39Å; H82-F86 WeakPolarHBondContact O-CB 3.4Å; H82-F86 PolarHBondContact O-N 3.23Å; V83-F86 PolarHBondContact O-N 3.04Å; F86-C89 WeakPolarHBondContact O-CB 3.45Å; F86-C89 PolarHBondContact O-N 3.5Å; F86-A90 WeakPolarHBondContact O-CB 3.36Å; F86-A90 PolarHBondContact O-N 3.37Å |
| 87 | L | 85.4 | Confident | 85.5 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 17% | 0.168 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 175.6 | -66.1 | 163.1 | 0 | 0 | 0 | 111.9 | E6 V83 T84 R85 C89 A90 D91 | E6-L87 HydrophobicContact CB-CD2 3.96Å; E6-L87 WeakPolarHBondContact OE2-CD1 3.29Å; E6-L87 WeakPolarHBondContact OE2-CD2 3.43Å; V83-L87 HydrophobicContact CG1-CD1 3.84Å; V83-L87 HydrophobicContact CG1-CG 4.43Å; V83-L87 VanDerWaalsContact O-CG 3.29Å; V83-L87 WeakPolarHBondContact O-CG 3.38Å; V83-L87 PolarHBondContact O-N 2.98Å; T84-L87 PolarHBondContact O-N 3.48Å; R85-L87 VanDerWaalsContact C-N 3.34Å; R85-L87 PolarHBondContact O-N 3.19Å; L87-C89 VanDerWaalsContact C-N 3.28Å; L87-C89 PolarHBondContact O-N 3.18Å; L87-A90 WeakPolarHBondContact O-CB 3.01Å; L87-A90 PolarHBondContact O-N 3.2Å; L87-A90 VanDerWaalsContact O-N 3.13Å; L87-D91 PolarHBondContact O-N 3.29Å |
| 88 | G | 86.7 | Confident | 84.8 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 42% | 0.423 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.2 | -37.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T84 R85 S92 | T84-G88 PolarHBondContact O-N 3.42Å; R85-G88 PolarHBondContact O-N 3.27Å; G88-S92 PolarHBondContact O-N 2.84Å |
| 89 | C | 88.5 | Confident | 83.3 | Confident | 31 Ų | 31 | 56 Ų | 56 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 171.4 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | C58 R85 F86 L87 D91 S92 V93 | C58-C89 WeakPolarHBondContact CA-SG 3.27Å; C58-C89 HydrophobicContact CB-CB 3.74Å; C58-C89 WeakPolarHBondContact CB-SG 3.34Å; C58-C89 WeakPolarHBondContact SG-CB 3.45Å; C58-C89 CovalentContact SG-SG 2.04Å; C58-C89 PolarHBondContact SG-SG 2.57Å; R85-C89 PolarHBondContact O-N 2.04Å; F86-C89 WeakPolarHBondContact O-CB 3.45Å; F86-C89 PolarHBondContact O-N 3.5Å; L87-C89 VanDerWaalsContact C-N 3.28Å; L87-C89 PolarHBondContact O-N 3.18Å; C89-D91 PolarHBondContact O-N 2.91Å; C89-S92 WeakPolarHBondContact CA-OG 3.46Å; C89-S92 CarbonylContact O-C 3.11Å; C89-S92 WeakPolarHBondContact O-CA 3.48Å; C89-S92 PolarHBondContact O-N 3.23Å; C89-S92 PolarHBondContact O-OG 3.47Å; C89-V93 WeakPolarHBondContact O-CG2 3.45Å; C89-V93 PolarHBondContact O-N 3.01Å; C89-V93 VanDerWaalsContact O-N 3.09Å |
| 90 | A | 87.9 | Confident | 81.4 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 5% | 0.05 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.1 | -33.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I7 I54 C58 F86 L87 S92 | I7-A90 HydrophobicContact CD1-CB 4.25Å; I54-A90 HydrophobicContact CD1-CB 4.31Å; I54-A90 HydrophobicContact CG1-CB 4.42Å; I54-A90 HydrophobicContact CG2-CB 3.5Å; C58-A90 PolarHBondContact SG-N 3.43Å; C58-A90 VanDerWaalsContact SG-N 3.44Å; F86-A90 WeakPolarHBondContact O-CB 3.36Å; F86-A90 PolarHBondContact O-N 3.37Å; L87-A90 WeakPolarHBondContact O-CB 3.01Å; L87-A90 PolarHBondContact O-N 3.2Å; L87-A90 VanDerWaalsContact O-N 3.13Å; A90-S92 VanDerWaalsContact C-N 3.31Å |
| 91 | D | 86.3 | Confident | 79.6 | Confident | 115 Ų | 115 | 65.7 Ų | 65.7 | 62% | 0.615 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -76.4 | -17.7 | 174.8 | -73.2 | -27 | 0 | 0 | 0 | 113.5 | K10 L87 C89 | K10-D91 IonicContact NZ-OD1 2.78Å; K10-D91 PolarHBondContact NZ-OD1 3.19Å; L87-D91 PolarHBondContact O-N 3.29Å; C89-D91 PolarHBondContact O-N 2.91Å |
| 92 | S | 86.7 | Confident | 77.5 | Confident | 90 Ų | 90 | 67.3 Ų | 67.3 | 63% | 0.629 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -98 | -8.3 | 177.9 | 71.5 | 0 | 0 | 0 | 0 | 114.6 | G88 C89 A90 D94 | G88-S92 PolarHBondContact O-N 2.84Å; C89-S92 WeakPolarHBondContact CA-OG 3.46Å; C89-S92 CarbonylContact O-C 3.11Å; C89-S92 WeakPolarHBondContact O-CA 3.48Å; C89-S92 PolarHBondContact O-N 3.23Å; C89-S92 PolarHBondContact O-OG 3.47Å; A90-S92 VanDerWaalsContact C-N 3.31Å; S92-D94 PolarHBondContact O-N 3.17Å |
| 93 | V | 87.5 | Confident | 75.3 | Confident | 18 Ų | 18 | 69.8 Ų | 69.8 | 11% | 0.109 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -62 | 131.4 | 178.9 | 174.6 | 0 | 0 | 0 | 0 | 109.8 | K53 I54 D57 C58 C89 L95 | K53-V93 HydrophobicContact CG-CG1 3.91Å; I54-V93 HydrophobicContact CG1-CB 4.28Å; I54-V93 HydrophobicContact CG1-CG1 4.36Å; I54-V93 HydrophobicContact CG1-CG2 4.1Å; D57-V93 HydrophobicContact CB-CG2 4.12Å; C58-V93 VanDerWaalsContact SG-CG2 3.56Å; C89-V93 WeakPolarHBondContact O-CG2 3.45Å; C89-V93 PolarHBondContact O-N 3.01Å; C89-V93 VanDerWaalsContact O-N 3.09Å; V93-L95 HydrophobicContact CB-CD2 4.38Å; V93-L95 HydrophobicContact CG1-CD2 3.72Å; V93-L95 HydrophobicContact CG1-CG 4.46Å; V93-L95 PolarHBondContact O-N 3.06Å; V93-L95 VanDerWaalsContact O-N 3.16Å |
| 94 | D | 85.4 | Confident | 73.3 | Confident | 105 Ų | 105 | 74.7 Ų | 74.7 | 56% | 0.561 | 46% | 0.46 | S | S | * | . | trans | -75.1 | 103.9 | 173.5 | -177.3 | 8.1 | 0 | 0 | 0 | 110.6 | S92 S96 | S92-D94 PolarHBondContact O-N 3.17Å; D94-S96 VanDerWaalsContact C-N 3.35Å; D94-S96 WeakPolarHBondContact OD1-CB 3.45Å; D94-S96 PolarHBondContact OD1-N 3.04Å; D94-S96 PolarHBondContact OD1-OG 2.86Å; D94-S96 PolarHBondContact OD2-OG 3.02Å; D94-S96 VanDerWaalsContact OD2-OG 3.07Å | ||
| 95 | L | 82.9 | Confident | 71 | Confident | 45 Ų | 45 | 77.5 Ų | 77.5 | 24% | 0.236 | 47% | 0.471 | C | S | . | . | trans | -90.4 | 4.6 | 179.2 | -58.4 | 179.8 | 0 | 0 | 0 | 113.4 | V50 V93 S97 V98 A99 | V50-L95 HydrophobicContact CB-CD2 4.39Å; V50-L95 HydrophobicContact CG1-CD1 3.72Å; V50-L95 HydrophobicContact CG1-CD2 3.62Å; V50-L95 HydrophobicContact CG1-CG 4.33Å; V50-L95 HydrophobicContact CG2-CD2 4.37Å; V93-L95 HydrophobicContact CB-CD2 4.38Å; V93-L95 HydrophobicContact CG1-CD2 3.72Å; V93-L95 HydrophobicContact CG1-CG 4.46Å; V93-L95 PolarHBondContact O-N 3.06Å; V93-L95 VanDerWaalsContact O-N 3.16Å; L95-S97 PolarHBondContact O-N 2.74Å; L95-V98 PolarHBondContact O-N 3.42Å; L95-A99 PolarHBondContact O-N 3.32Å | ||
| 96 | S | 79.3 | Confident | 68.8 | Low | 77 Ų | 77 | 76.4 Ų | 76.4 | 54% | 0.538 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -33.3 | 179.8 | 63.5 | 0 | 0 | 0 | 0 | 112.8 | D94 V98 | D94-S96 VanDerWaalsContact C-N 3.35Å; D94-S96 WeakPolarHBondContact OD1-CB 3.45Å; D94-S96 PolarHBondContact OD1-N 3.04Å; D94-S96 PolarHBondContact OD1-OG 2.86Å; D94-S96 PolarHBondContact OD2-OG 3.02Å; D94-S96 VanDerWaalsContact OD2-OG 3.07Å; S96-V98 VanDerWaalsContact C-N 3.32Å; S96-V98 PolarHBondContact O-N 3.37Å |
| 97 | S | 69.2 | Low | 66.5 | Low | 83 Ų | 83 | 85.3 Ų | 85.3 | 58% | 0.58 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -19.7 | 176.2 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | L95 | L95-S97 PolarHBondContact O-N 2.74Š|
| 98 | V | 70.4 | Confident | 65.5 | Low | 22 Ų | 22 | 88 Ų | 88 | 13% | 0.133 | 57% | 0.565 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -106.8 | -23.2 | -173 | -166.7 | 0 | 0 | 0 | 0 | 112 | P49 V50 K53 L95 S96 S100 | P49-V98 HydrophobicContact CB-CG1 3.46Å; P49-V98 VanDerWaalsContact CB-CG1 3.46Å; V50-V98 HydrophobicContact CB-CG1 4.45Å; V50-V98 HydrophobicContact CG2-CB 4.15Å; V50-V98 HydrophobicContact CG2-CG1 3.54Å; K53-V98 HydrophobicContact CB-CG2 4.22Å; K53-V98 HydrophobicContact CG-CG2 4.19Å; L95-V98 PolarHBondContact O-N 3.42Å; S96-V98 VanDerWaalsContact C-N 3.32Å; S96-V98 PolarHBondContact O-N 3.37Å; V98-S100 PolarHBondContact O-N 3.12Å |
| 99 | A | 56.9 | Low | 64.4 | Low | 62 Ų | 62 | 90.5 Ų | 90.5 | 51% | 0.512 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -65.1 | -19.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L95 E101 | L95-A99 PolarHBondContact O-N 3.32Å; A99-E101 PolarHBondContact O-N 2.95Å |
| 100 | S | 48.5 | Very low | 63.1 | Low | 96 Ų | 96 | 93.8 Ų | 93.8 | 67% | 0.671 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -66.1 | -16.7 | -177.4 | -46.8 | 0 | 0 | 0 | 0 | 114.6 | V98 | V98-S100 PolarHBondContact O-N 3.12Š|
| 101 | E | 49.1 | Very low | 61.6 | Low | 160 Ų | 160 | 98.9 Ų | 98.9 | 75% | 0.748 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -106.1 | -4.8 | -174.7 | -65.9 | -164.9 | 123.7 | 0 | 0 | 114.7 | A99 | A99-E101 PolarHBondContact O-N 2.95Š|
| 102 | S | 44.6 | Very low | 60 | Low | 107 Ų | 107 | 97.9 Ų | 97.9 | 75% | 0.748 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -93.6 | -2.7 | -175.8 | -178 | 0 | 0 | 0 | 0 | 114.8 | ||
| 103 | S | 41.3 | Very low | 58.3 | Low | 102 Ų | 102 | 98.5 Ų | 98.5 | 71% | 0.713 | 63% | 0.625 | S | S | * | * | trans | -92.2 | 11.5 | -170.3 | -45 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 104 | S | 40.6 | Very low | 56.2 | Low | 111 Ų | 111 | 104.2 Ų | 104.2 | 78% | 0.776 | 66% | 0.662 | S | S | * | * | trans | -109.3 | 58.1 | -176.2 | -49.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 105 | D | 39.2 | Very low | 53.9 | Low | 157 Ų | 157 | 104.2 Ų | 104.2 | 84% | 0.84 | 67% | 0.669 | S | S | * | * | trans | -150.7 | 76.9 | 160.2 | -117.4 | -28.2 | 0 | 0 | 0 | 110 | ||||
| 106 | T | 42.1 | Very low | 51.5 | Low | 135 Ų | 135 | 109.1 Ų | 109.1 | 83% | 0.828 | 71% | 0.706 | S | S | * | * | trans | -142.7 | 96 | 161.4 | -52.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 107 | S | 37.2 | Very low | 49 | Very low | 197 Ų | 197 | 112 Ų | 112 | 100% | 1.378 | 72% | 0.721 | S | S | * | * | trans | -170.2 | 0 | 150 | -80.7 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 107 of 107 residues in 22.2 ms
(Link to these results)