| 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 | 56.8 | Low | 78 | Confident | 201 Ų | 201 | 147.3 Ų | 147.3 | 99% | 0.99 | 73% | 0.729 | S | S | * | * | 0 | 127 | 0 | -79.8 | 169.1 | 75.2 | 0 | 0 | 108.6 | R30 | M1-R30 PolarHBondContact O-NH1 3.44Š| |||
| 2 | P | 62.2 | Low | 79.3 | Confident | 120 Ų | 120 | 142.9 Ų | 142.9 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | trans | -62.1 | 137.8 | 178.3 | 25.6 | -32.2 | 0 | 0 | 0 | 110.5 | V4 | P2-V4 PolarHBondContact O-N 3.49Š| ||
| 3 | K | 73.4 | Confident | 80.5 | Confident | 95 Ų | 95 | 145 Ų | 145 | 41% | 0.413 | 73% | 0.734 | S | S | . | * | trans | -64.3 | 124.2 | 177.3 | -70.8 | -175.6 | 171.5 | -176.7 | 0 | 109.3 | K5 L22 D23 D26 | K3-K5 PolarHBondContact O-N 3.35Å; K3-K5 VanDerWaalsContact O-N 3.15Å; K3-L22 PolarHBondContact NZ-O 3.16Å; K3-D23 WeakPolarHBondContact CE-OD1 3.23Å; K3-D23 IonicContact NZ-OD1 2.57Å; K3-D23 PolarHBondContact NZ-OD1 3.17Å; K3-D26 WeakPolarHBondContact CE-OD2 3.26Å | ||
| 4 | V | 77.9 | Confident | 81.3 | Confident | 136 Ų | 136 | 137.9 Ų | 137.9 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | trans | -73.9 | 106.4 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | P2 R6 | P2-V4 PolarHBondContact O-N 3.49Å; V4-R6 PolarHBondContact O-N 3.15Å | ||
| 5 | K | 79 | Confident | 82 | Confident | 154 Ų | 154 | 134.2 Ų | 134.2 | 67% | 0.67 | 69% | 0.688 | S | S | * | * | trans | -72.6 | 118.2 | 176.1 | -65.5 | -170.6 | 178.8 | -174.3 | 0 | 109.5 | K3 | K3-K5 PolarHBondContact O-N 3.35Å; K3-K5 VanDerWaalsContact O-N 3.15Å | ||
| 6 | R | 79.7 | Confident | 82.7 | Confident | 257 Ų | 257 | 136 Ų | 136 | 97% | 0.97 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -75.3 | -30.2 | 175.3 | -65.6 | -175.1 | -179 | -176.1 | 0.8 | 112.5 | V4 | V4-R6 PolarHBondContact O-N 3.15Š|
| 7 | S | 82.3 | Confident | 83.4 | Confident | 69 Ų | 69 | 136.5 Ų | 136.5 | 48% | 0.483 | 70% | 0.697 | S | S | . | * | trans | -105.4 | 142.3 | 177 | -179 | 0 | 0 | 0 | 0 | 110.6 | K9 | S7-K9 PolarHBondContact OG-N 3.1Å; S7-K9 VanDerWaalsContact OG-N 3.16Å | ||
| 8 | R | 82.1 | Confident | 84 | Confident | 260 Ų | 260 | 133.6 Ų | 133.6 | 98% | 0.981 | 68% | 0.682 | S | S | * | * | trans | -86.2 | -9.3 | 171.9 | -62.7 | -178.3 | -176.7 | 172.5 | 0.5 | 113 | ||||
| 9 | K | 88.3 | Confident | 84.4 | Confident | 178 Ų | 178 | 130.3 Ų | 130.3 | 77% | 0.774 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -70.3 | 145.7 | 177.2 | -65 | -176 | 179.1 | 179.9 | 0 | 110 | S7 | S7-K9 PolarHBondContact OG-N 3.1Å; S7-K9 VanDerWaalsContact OG-N 3.16Å |
| 10 | A | 86.4 | Confident | 84.9 | Confident | 89 Ų | 89 | 127.3 Ų | 127.3 | 74% | 0.736 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 149 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 11 | P | 90.1 | Very high | 85.4 | Confident | 61 Ų | 61 | 124.9 Ų | 124.9 | 40% | 0.396 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 150.3 | 169.9 | -18.5 | 31.3 | 0 | 0 | 0 | 110.9 | W15 | P11-W15 HydrophobicContact CB-CB 3.61Å; P11-W15 HydrophobicContact CB-CD2 3.99Å; P11-W15 HydrophobicContact CB-CG 3.38Å; P11-W15 HydrophobicContact CG-CG 4.22Å |
| 12 | P | 93.2 | Very high | 87.2 | Confident | 95 Ų | 95 | 118.6 Ų | 118.6 | 62% | 0.617 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 164.8 | 177.9 | 30.3 | -35 | 0 | 0 | 0 | 112 | G14 W15 | P12-G14 PolarHBondContact O-N 3.34Å; P12-W15 VanDerWaalsContact O-CB 3.23Å; P12-W15 WeakPolarHBondContact O-CB 3.41Å; P12-W15 PolarHBondContact O-N 3.19Å |
| 13 | D | 94.6 | Very high | 88.6 | Confident | 170 Ų | 170 | 116.1 Ų | 116.1 | 91% | 0.909 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 137.9 | 175.2 | -63.7 | -20.2 | 0 | 0 | 0 | 111.3 | W15 | D13-W15 VanDerWaalsContact C-N 3.32Š|
| 14 | G | 92.3 | Very high | 89.5 | Confident | 46 Ų | 46 | 117 Ų | 117 | 47% | 0.474 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 82.3 | -0.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P12 E16 L17 | P12-G14 PolarHBondContact O-N 3.34Å; G14-E16 VanDerWaalsContact C-N 3.28Å; G14-E16 PolarHBondContact O-N 2.96Å; G14-L17 WeakPolarHBondContact O-CB 3.21Å; G14-L17 PolarHBondContact O-N 3.33Å |
| 15 | W | 91.7 | Very high | 90.3 | Very high | 82 Ų | 82 | 115.4 Ų | 115.4 | 31% | 0.311 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -57.7 | -38.3 | 175.5 | -179.9 | -99.3 | 0 | 0 | 0 | 113.2 | P11 P12 D13 L17 I18 E19 L22 | P11-W15 HydrophobicContact CB-CB 3.61Å; P11-W15 HydrophobicContact CB-CD2 3.99Å; P11-W15 HydrophobicContact CB-CG 3.38Å; P11-W15 HydrophobicContact CG-CG 4.22Å; P12-W15 VanDerWaalsContact O-CB 3.23Å; P12-W15 WeakPolarHBondContact O-CB 3.41Å; P12-W15 PolarHBondContact O-N 3.19Å; D13-W15 VanDerWaalsContact C-N 3.32Å; W15-L17 PolarHBondContact O-N 2.57Å; W15-L17 VanDerWaalsContact O-N 3.1Å; W15-I18 HydrophobicContact CD2-CG1 4.47Å; W15-I18 HydrophobicContact CE3-CD1 3.76Å; W15-I18 HydrophobicContact CE3-CG1 4.12Å; W15-I18 HydrophobicContact CZ3-CD1 3.87Å; W15-I18 HydrophobicContact CZ3-CG1 4.47Å; W15-I18 VanDerWaalsContact O-CG1 3.26Å; W15-I18 WeakPolarHBondContact O-CG1 3.39Å; W15-I18 PolarHBondContact O-N 3.19Å; W15-E19 PolarHBondContact NE1-OE1 3.48Å; W15-E19 VanDerWaalsContact NE1-OE1 3.1Å; W15-E19 WeakPolarHBondContact O-CB 3.42Å; W15-E19 PolarHBondContact O-N 3.1Å; W15-L22 HydrophobicContact CH2-CD1 3.6Å; W15-L22 HydrophobicContact CZ2-CD1 4.19Å; W15-L22 HydrophobicContact CZ3-CD1 4Å |
| 16 | E | 92.6 | Very high | 90.9 | Very high | 163 Ų | 163 | 109.8 Ų | 109.8 | 76% | 0.762 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.8 | -24 | 179.8 | -62.2 | 177.3 | 174.4 | 0 | 0 | 113.1 | G14 P20 | G14-E16 VanDerWaalsContact C-N 3.28Å; G14-E16 PolarHBondContact O-N 2.96Å; E16-P20 WeakPolarHBondContact O-CD 3.04Å |
| 17 | L | 95.1 | Very high | 91.6 | Very high | 144 Ų | 144 | 102.9 Ų | 102.9 | 75% | 0.754 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -76.1 | -28.1 | 178.5 | -58.6 | 176.1 | 0 | 0 | 0 | 112.7 | G14 W15 | G14-L17 WeakPolarHBondContact O-CB 3.21Å; G14-L17 PolarHBondContact O-N 3.33Å; W15-L17 PolarHBondContact O-N 2.57Å; W15-L17 VanDerWaalsContact O-N 3.1Å |
| 18 | I | 94.5 | Very high | 92.2 | Very high | 85 Ų | 85 | 105.9 Ų | 105.9 | 44% | 0.436 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -107.4 | -20.4 | -176.5 | 62.5 | 171.2 | 0 | 0 | 0 | 112.8 | W15 T21 L22 | W15-I18 HydrophobicContact CD2-CG1 4.47Å; W15-I18 HydrophobicContact CE3-CD1 3.76Å; W15-I18 HydrophobicContact CE3-CG1 4.12Å; W15-I18 HydrophobicContact CZ3-CD1 3.87Å; W15-I18 HydrophobicContact CZ3-CG1 4.47Å; W15-I18 VanDerWaalsContact O-CG1 3.26Å; W15-I18 WeakPolarHBondContact O-CG1 3.39Å; W15-I18 PolarHBondContact O-N 3.19Å; I18-T21 PolarHBondContact O-N 2.88Å; I18-L22 HydrophobicContact CD1-CD1 4.04Å; I18-L22 HydrophobicContact CG1-CD1 4.2Å; I18-L22 WeakPolarHBondContact O-CG 3.45Å; I18-L22 PolarHBondContact O-N 3.02Å |
| 19 | E | 92.1 | Very high | 92.7 | Very high | 70 Ų | 70 | 99.2 Ų | 99.2 | 33% | 0.327 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -53.1 | -47.5 | -178.5 | 178.7 | 167.1 | -120.3 | 0 | 0 | 113 | W15 T21 L22 D23 | W15-E19 PolarHBondContact NE1-OE1 3.48Å; W15-E19 VanDerWaalsContact NE1-OE1 3.1Å; W15-E19 WeakPolarHBondContact O-CB 3.42Å; W15-E19 PolarHBondContact O-N 3.1Å; E19-T21 PolarHBondContact O-N 3.04Å; E19-L22 PolarHBondContact O-N 3.25Å; E19-D23 WeakPolarHBondContact O-CB 3.26Å; E19-D23 PolarHBondContact O-N 3.35Å |
| 20 | P | 94.6 | Very high | 93 | Very high | 70 Ų | 70 | 95.5 Ų | 95.5 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 178.4 | -23.3 | 34.5 | 0 | 0 | 0 | 112.6 | E16 L22 D23 E24 | E16-P20 WeakPolarHBondContact O-CD 3.04Å; P20-L22 PolarHBondContact O-N 2.9Å; P20-D23 PolarHBondContact O-N 3.39Å; P20-E24 WeakPolarHBondContact O-CG 3.32Å; P20-E24 PolarHBondContact O-N 3.14Å |
| 21 | T | 95.6 | Very high | 93.3 | Very high | 78 Ų | 78 | 95.9 Ų | 95.9 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 178.6 | -52.8 | 0 | 0 | 0 | 0 | 111.7 | I18 E19 E24 L25 | I18-T21 PolarHBondContact O-N 2.88Å; E19-T21 PolarHBondContact O-N 3.04Å; T21-E24 PolarHBondContact O-N 3.36Å; T21-L25 HydrophobicContact CG2-CD1 4.42Å; T21-L25 WeakPolarHBondContact O-CG 3.35Å; T21-L25 PolarHBondContact O-N 3.42Å |
| 22 | L | 93.1 | Very high | 93.6 | Very high | 68 Ų | 68 | 99.8 Ų | 99.8 | 36% | 0.356 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.9 | -32.4 | 176.8 | -67.7 | 178.5 | 0 | 0 | 0 | 112.5 | K3 W15 I18 E19 P20 D26 | K3-L22 PolarHBondContact NZ-O 3.16Å; W15-L22 HydrophobicContact CH2-CD1 3.6Å; W15-L22 HydrophobicContact CZ2-CD1 4.19Å; W15-L22 HydrophobicContact CZ3-CD1 4Å; I18-L22 HydrophobicContact CD1-CD1 4.04Å; I18-L22 HydrophobicContact CG1-CD1 4.2Å; I18-L22 WeakPolarHBondContact O-CG 3.45Å; I18-L22 PolarHBondContact O-N 3.02Å; E19-L22 PolarHBondContact O-N 3.25Å; P20-L22 PolarHBondContact O-N 2.9Å; L22-D26 WeakPolarHBondContact O-CB 3.34Å; L22-D26 PolarHBondContact O-N 3.44Å; L22-D26 VanDerWaalsContact O-N 3.14Å |
| 23 | D | 91.5 | Very high | 93.8 | Very high | 68 Ų | 68 | 100.5 Ų | 100.5 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 172.7 | -78.8 | -4.3 | 0 | 0 | 0 | 111.3 | K3 E19 P20 D26 Q27 | K3-D23 WeakPolarHBondContact CE-OD1 3.23Å; K3-D23 IonicContact NZ-OD1 2.57Å; K3-D23 PolarHBondContact NZ-OD1 3.17Å; E19-D23 WeakPolarHBondContact O-CB 3.26Å; E19-D23 PolarHBondContact O-N 3.35Å; P20-D23 PolarHBondContact O-N 3.39Å; D23-D26 PolarHBondContact O-N 2.65Å; D23-Q27 WeakPolarHBondContact O-CB 3.43Å; D23-Q27 PolarHBondContact O-N 2.92Å |
| 24 | E | 93.4 | Very high | 93.8 | Very high | 113 Ų | 113 | 97.5 Ų | 97.5 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 176.4 | -74.8 | 177.5 | -168.7 | 0 | 0 | 112.5 | P20 T21 Q27 K28 | P20-E24 WeakPolarHBondContact O-CG 3.32Å; P20-E24 PolarHBondContact O-N 3.14Å; T21-E24 PolarHBondContact O-N 3.36Å; E24-Q27 PolarHBondContact O-N 2.86Å; E24-K28 WeakPolarHBondContact O-CG 3.35Å; E24-K28 PolarHBondContact O-N 3.26Å |
| 25 | L | 94.6 | Very high | 94 | Very high | 103 Ų | 103 | 101.7 Ų | 101.7 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 177.6 | -73.4 | 173.2 | 0 | 0 | 0 | 112 | T21 K28 M29 | T21-L25 HydrophobicContact CG2-CD1 4.42Å; T21-L25 WeakPolarHBondContact O-CG 3.35Å; T21-L25 PolarHBondContact O-N 3.42Å; L25-K28 PolarHBondContact O-N 3.03Å; L25-M29 WeakPolarHBondContact O-CB 3.36Å; L25-M29 PolarHBondContact O-N 3.24Å |
| 26 | D | 91.8 | Very high | 94.3 | Very high | 37 Ų | 37 | 103.4 Ų | 103.4 | 20% | 0.198 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 176.1 | 177.3 | 47.9 | 0 | 0 | 0 | 111.5 | K3 L22 D23 M29 R30 | K3-D26 WeakPolarHBondContact CE-OD2 3.26Å; L22-D26 WeakPolarHBondContact O-CB 3.34Å; L22-D26 PolarHBondContact O-N 3.44Å; L22-D26 VanDerWaalsContact O-N 3.14Å; D23-D26 PolarHBondContact O-N 2.65Å; D26-M29 PolarHBondContact O-N 3.39Å; D26-R30 VanDerWaalsContact O-CG 3.26Å; D26-R30 WeakPolarHBondContact O-CG 3.43Å; D26-R30 PolarHBondContact O-N 3.3Å; D26-R30 VanDerWaalsContact O-N 3.1Å; D26-R30 IonicContact OD1-CZ 3.12Å; D26-R30 IonicContact OD1-NE 3.04Å; D26-R30 PolarHBondContact OD1-NE 2.88Å; D26-R30 IonicContact OD1-NH2 2.65Å; D26-R30 PolarHBondContact OD1-NH2 3.44Å; D26-R30 IonicContact OD2-CZ 3.6Å; D26-R30 IonicContact OD2-NE 3.25Å; D26-R30 PolarHBondContact OD2-NE 3.34Å; D26-R30 IonicContact OD2-NH2 3.35Å; D26-R30 PolarHBondContact OD2-NH2 3.02Å |
| 27 | Q | 93.4 | Very high | 94.5 | Very high | 111 Ų | 111 | 97.7 Ų | 97.7 | 52% | 0.519 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.3 | -49.4 | 174.9 | -179.2 | 174.5 | -11.8 | 0 | 0 | 111.6 | D23 E24 M29 R30 E31 | D23-Q27 WeakPolarHBondContact O-CB 3.43Å; D23-Q27 PolarHBondContact O-N 2.92Å; E24-Q27 PolarHBondContact O-N 2.86Å; Q27-M29 VanDerWaalsContact C-N 3.31Å; Q27-M29 PolarHBondContact O-N 3.46Å; Q27-R30 PolarHBondContact O-N 3Å; Q27-R30 VanDerWaalsContact O-N 3.13Å; Q27-E31 HydrophobicContact CG-CG 4.45Å; Q27-E31 WeakPolarHBondContact CG-OE1 3.45Å; Q27-E31 PolarHBondContact NE2-OE1 3.46Å; Q27-E31 WeakPolarHBondContact O-CG 3.37Å; Q27-E31 PolarHBondContact O-N 3.2Å |
| 28 | K | 94.6 | Very high | 94.7 | Very high | 132 Ų | 132 | 92.6 Ų | 92.6 | 57% | 0.574 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -57.7 | -44 | 178.3 | -76.4 | 178 | 176.9 | 174.3 | 0 | 112 | E24 L25 R30 E31 E32 | E24-K28 WeakPolarHBondContact O-CG 3.35Å; E24-K28 PolarHBondContact O-N 3.26Å; L25-K28 PolarHBondContact O-N 3.03Å; K28-R30 VanDerWaalsContact C-N 3.31Å; K28-R30 PolarHBondContact O-N 3.44Å; K28-E31 PolarHBondContact O-N 3.08Å; K28-E32 WeakPolarHBondContact O-CB 3.39Å; K28-E32 PolarHBondContact O-N 2.93Å |
| 29 | M | 93.1 | Very high | 94.8 | Very high | 121 Ų | 121 | 96.7 Ų | 96.7 | 60% | 0.596 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.5 | -37.7 | 178.1 | -171.9 | 174.9 | 62.2 | 0 | 0 | 112.2 | L25 D26 Q27 L33 | L25-M29 WeakPolarHBondContact O-CB 3.36Å; L25-M29 PolarHBondContact O-N 3.24Å; D26-M29 PolarHBondContact O-N 3.39Å; Q27-M29 VanDerWaalsContact C-N 3.31Å; Q27-M29 PolarHBondContact O-N 3.46Å; M29-L33 WeakPolarHBondContact O-CB 3.47Å; M29-L33 PolarHBondContact O-N 3.13Å; M29-L33 VanDerWaalsContact O-N 3.08Å |
| 30 | R | 93.9 | Very high | 95.1 | Very high | 100 Ų | 100 | 98 Ų | 98 | 38% | 0.377 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.1 | -40 | 176.3 | -69.8 | 170.9 | -168.8 | -160.8 | 3.3 | 112.4 | M1 D26 Q27 K28 Y34 | M1-R30 PolarHBondContact O-NH1 3.44Å; D26-R30 VanDerWaalsContact O-CG 3.26Å; D26-R30 WeakPolarHBondContact O-CG 3.43Å; D26-R30 PolarHBondContact O-N 3.3Å; D26-R30 VanDerWaalsContact O-N 3.1Å; D26-R30 IonicContact OD1-CZ 3.12Å; D26-R30 IonicContact OD1-NE 3.04Å; D26-R30 PolarHBondContact OD1-NE 2.88Å; D26-R30 IonicContact OD1-NH2 2.65Å; D26-R30 PolarHBondContact OD1-NH2 3.44Å; D26-R30 IonicContact OD2-CZ 3.6Å; D26-R30 IonicContact OD2-NE 3.25Å; D26-R30 PolarHBondContact OD2-NE 3.34Å; D26-R30 IonicContact OD2-NH2 3.35Å; D26-R30 PolarHBondContact OD2-NH2 3.02Å; Q27-R30 PolarHBondContact O-N 3Å; Q27-R30 VanDerWaalsContact O-N 3.13Å; K28-R30 VanDerWaalsContact C-N 3.31Å; K28-R30 PolarHBondContact O-N 3.44Å; R30-Y34 VanDerWaalsContact O-CB 3.28Å; R30-Y34 WeakPolarHBondContact O-CB 3.28Å; R30-Y34 PolarHBondContact O-N 3.02Å |
| 31 | E | 94.5 | Very high | 95.1 | Very high | 96 Ų | 96 | 97.6 Ų | 97.6 | 45% | 0.449 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 176.3 | -73.2 | 173.9 | -175.8 | 0 | 0 | 110.7 | Q27 K28 L33 Y34 E35 | Q27-E31 HydrophobicContact CG-CG 4.45Å; Q27-E31 WeakPolarHBondContact CG-OE1 3.45Å; Q27-E31 PolarHBondContact NE2-OE1 3.46Å; Q27-E31 WeakPolarHBondContact O-CG 3.37Å; Q27-E31 PolarHBondContact O-N 3.2Å; K28-E31 PolarHBondContact O-N 3.08Å; E31-L33 PolarHBondContact O-N 3.1Å; E31-Y34 WeakPolarHBondContact O-CB 3.41Å; E31-Y34 PolarHBondContact O-N 2.96Å; E31-E35 WeakPolarHBondContact O-CG 3.45Å; E31-E35 PolarHBondContact O-N 3.4Å |
| 32 | E | 96.1 | Very high | 95.2 | Very high | 144 Ų | 144 | 102.4 Ų | 102.4 | 67% | 0.673 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.8 | -44.6 | 179.1 | -171.9 | 175.1 | -173.2 | 0 | 0 | 112 | K28 Y34 E35 Y36 | K28-E32 WeakPolarHBondContact O-CB 3.39Å; K28-E32 PolarHBondContact O-N 2.93Å; E32-Y34 VanDerWaalsContact C-N 3.33Å; E32-Y34 PolarHBondContact O-N 3.28Å; E32-E35 PolarHBondContact O-N 2.96Å; E32-Y36 WeakPolarHBondContact O-CB 3.47Å; E32-Y36 PolarHBondContact O-N 3.39Å |
| 33 | L | 96.8 | Very high | 95.4 | Very high | 109 Ų | 109 | 100.9 Ų | 100.9 | 57% | 0.571 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.6 | -39.3 | 176.4 | -178.1 | 62.9 | 0 | 0 | 0 | 112.1 | M29 E31 Y36 C37 | M29-L33 WeakPolarHBondContact O-CB 3.47Å; M29-L33 PolarHBondContact O-N 3.13Å; M29-L33 VanDerWaalsContact O-N 3.08Å; E31-L33 PolarHBondContact O-N 3.1Å; L33-Y36 PolarHBondContact O-N 3.38Å; L33-C37 PolarHBondContact O-N 3.49Å; L33-C37 PolarHBondContact O-SG 3.46Å |
| 34 | Y | 95.4 | Very high | 95.7 | Very high | 107 Ų | 107 | 101.4 Ų | 101.4 | 42% | 0.42 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 176.8 | 172.3 | -94.2 | 0 | 0 | 0 | 111.5 | R30 E31 E32 C37 I38 I48 | R30-Y34 VanDerWaalsContact O-CB 3.28Å; R30-Y34 WeakPolarHBondContact O-CB 3.28Å; R30-Y34 PolarHBondContact O-N 3.02Å; E31-Y34 WeakPolarHBondContact O-CB 3.41Å; E31-Y34 PolarHBondContact O-N 2.96Å; E32-Y34 VanDerWaalsContact C-N 3.33Å; E32-Y34 PolarHBondContact O-N 3.28Å; Y34-C37 PolarHBondContact O-N 3.18Å; Y34-I38 HydrophobicContact CD1-CD1 4Å; Y34-I38 HydrophobicContact CE1-CD1 3.37Å; Y34-I38 HydrophobicContact CE2-CD1 4.24Å; Y34-I38 PolarHBondContact O-N 3.38Å; Y34-I48 HydrophobicContact CE2-CD1 4.26Å; Y34-I48 VanDerWaalsContact OH-CG2 3.32Å; Y34-I48 WeakPolarHBondContact OH-CG2 3.27Å |
| 35 | E | 96.3 | Very high | 95.9 | Very high | 135 Ų | 135 | 102.9 Ų | 102.9 | 63% | 0.631 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.5 | -40 | 176.5 | -70.4 | -172.8 | 167.1 | 0 | 0 | 112.3 | E31 E32 I38 K39 | E31-E35 WeakPolarHBondContact O-CG 3.45Å; E31-E35 PolarHBondContact O-N 3.4Å; E32-E35 PolarHBondContact O-N 2.96Å; E35-I38 PolarHBondContact O-N 3.43Å; E35-K39 WeakPolarHBondContact O-CB 3.47Å; E35-K39 PolarHBondContact O-N 3.5Å |
| 36 | Y | 97.2 | Very high | 96.1 | Very high | 118 Ų | 118 | 103 Ų | 103 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.4 | -49.1 | 174.4 | 177.5 | -97.7 | 0 | 0 | 0 | 111.7 | E32 L33 I38 K39 E40 | E32-Y36 WeakPolarHBondContact O-CB 3.47Å; E32-Y36 PolarHBondContact O-N 3.39Å; L33-Y36 PolarHBondContact O-N 3.38Å; Y36-I38 PolarHBondContact O-N 2.93Å; Y36-K39 PolarHBondContact O-N 3.2Å; Y36-E40 HydrophobicContact CD1-CG 4.27Å; Y36-E40 HydrophobicContact CD2-CG 4Å; Y36-E40 HydrophobicContact CE1-CG 3.82Å; Y36-E40 HydrophobicContact CE2-CG 3.51Å; Y36-E40 HydrophobicContact CG-CG 4.36Å; Y36-E40 VanDerWaalsContact CZ-CG 3.41Å; Y36-E40 PolarHBondContact O-N 2.97Å |
| 37 | C | 97.9 | Very high | 96.3 | Very high | 42 Ų | 42 | 102.4 Ų | 102.4 | 28% | 0.284 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.4 | -35.4 | 177 | -73.8 | 0 | 0 | 0 | 0 | 112.9 | L33 Y34 G41 Y42 A43 | L33-C37 PolarHBondContact O-N 3.49Å; L33-C37 PolarHBondContact O-SG 3.46Å; Y34-C37 PolarHBondContact O-N 3.18Å; C37-G41 PolarHBondContact O-N 3.21Å; C37-Y42 WeakPolarHBondContact O-CB 3.46Å; C37-Y42 PolarHBondContact O-N 2.95Å; C37-A43 PolarHBondContact O-N 2.82Å |
| 38 | I | 97.8 | Very high | 96.5 | Very high | 37 Ų | 37 | 98.3 Ų | 98.3 | 19% | 0.19 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -70.8 | -45.3 | 175 | -70.4 | 172.3 | 0 | 0 | 0 | 110.9 | Y34 E35 Y36 E40 G41 A43 K45 I48 | Y34-I38 HydrophobicContact CD1-CD1 4Å; Y34-I38 HydrophobicContact CE1-CD1 3.37Å; Y34-I38 HydrophobicContact CE2-CD1 4.24Å; Y34-I38 PolarHBondContact O-N 3.38Å; E35-I38 PolarHBondContact O-N 3.43Å; Y36-I38 PolarHBondContact O-N 2.93Å; I38-E40 PolarHBondContact O-N 3.24Å; I38-G41 PolarHBondContact O-N 3.06Å; I38-A43 HydrophobicContact CG1-CB 4.41Å; I38-K45 HydrophobicContact CG2-CB 3.77Å; I38-K45 HydrophobicContact CG2-CD 4.34Å; I38-K45 HydrophobicContact CG2-CG 4.33Å; I38-I48 HydrophobicContact CD1-CD1 4.28Å; I38-I48 HydrophobicContact CG1-CD1 4.34Å |
| 39 | K | 97.4 | Very high | 96.7 | Very high | 171 Ų | 171 | 94.3 Ų | 94.3 | 74% | 0.743 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | -177.1 | -175.2 | -177.3 | 174.8 | -173.5 | 0 | 112.3 | E35 Y36 G41 | E35-K39 WeakPolarHBondContact O-CB 3.47Å; E35-K39 PolarHBondContact O-N 3.5Å; Y36-K39 PolarHBondContact O-N 3.2Å; K39-G41 PolarHBondContact O-N 2.9Å |
| 40 | E | 98.1 | Very high | 96.9 | Very high | 99 Ų | 99 | 91.8 Ų | 91.8 | 46% | 0.463 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -0.4 | 178.3 | -62.6 | -56.1 | 124.6 | 0 | 0 | 113.3 | Y36 I38 Y42 | Y36-E40 HydrophobicContact CD1-CG 4.27Å; Y36-E40 HydrophobicContact CD2-CG 4Å; Y36-E40 HydrophobicContact CE1-CG 3.82Å; Y36-E40 HydrophobicContact CE2-CG 3.51Å; Y36-E40 HydrophobicContact CG-CG 4.36Å; Y36-E40 VanDerWaalsContact CZ-CG 3.41Å; Y36-E40 PolarHBondContact O-N 2.97Å; I38-E40 PolarHBondContact O-N 3.24Å; E40-Y42 VanDerWaalsContact C-N 3.33Å; E40-Y42 HydrophobicContact CB-CD2 3.65Å; E40-Y42 HydrophobicContact CB-CE2 3.62Å; E40-Y42 HydrophobicContact CG-CE2 4.36Å; E40-Y42 PolarHBondContact O-N 3.22Å |
| 41 | G | 95.6 | Very high | 97 | Very high | 61 Ų | 61 | 92.4 Ų | 92.4 | 63% | 0.629 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 11.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | C37 I38 K39 A43 | C37-G41 PolarHBondContact O-N 3.21Å; I38-G41 PolarHBondContact O-N 3.06Å; K39-G41 PolarHBondContact O-N 2.9Å; G41-A43 PolarHBondContact O-N 3.43Å |
| 42 | Y | 97.7 | Very high | 97.1 | Very high | 179 Ų | 179 | 95.6 Ų | 95.6 | 70% | 0.702 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -66.2 | -25.8 | 170.2 | -66.3 | -71.4 | 0 | 0 | 0 | 112.2 | C37 E40 | C37-Y42 WeakPolarHBondContact O-CB 3.46Å; C37-Y42 PolarHBondContact O-N 2.95Å; E40-Y42 VanDerWaalsContact C-N 3.33Å; E40-Y42 HydrophobicContact CB-CD2 3.65Å; E40-Y42 HydrophobicContact CB-CE2 3.62Å; E40-Y42 HydrophobicContact CG-CE2 4.36Å; E40-Y42 PolarHBondContact O-N 3.22Å |
| 43 | A | 96.7 | Very high | 97.1 | Very high | 36 Ų | 36 | 94.2 Ų | 94.2 | 30% | 0.298 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -137.7 | 137.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | C37 I38 G41 K45 I48 | C37-A43 PolarHBondContact O-N 2.82Å; I38-A43 HydrophobicContact CG1-CB 4.41Å; G41-A43 PolarHBondContact O-N 3.43Å; A43-K45 PolarHBondContact O-N 3.42Å; A43-I48 HydrophobicContact CB-CD1 4Å |
| 44 | D | 97.7 | Very high | 97.1 | Very high | 79 Ų | 79 | 97.6 Ų | 97.6 | 42% | 0.422 | 47% | 0.47 | S | S | . | . | trans | -84.2 | 111.5 | -179.9 | -176.2 | -31.4 | 0 | 0 | 0 | 111.2 | N46 L47 I48 | D44-N46 VanDerWaalsContact C-N 3.29Å; D44-N46 PolarHBondContact O-N 3.35Å; D44-N46 WeakPolarHBondContact OD1-CA 3.32Å; D44-N46 WeakPolarHBondContact OD1-CB 3.28Å; D44-N46 PolarHBondContact OD1-N 3.44Å; D44-L47 HydrophobicContact CB-CB 3.89Å; D44-L47 PolarHBondContact O-N 3.25Å; D44-L47 PolarHBondContact OD1-N 3.22Å; D44-L47 VanDerWaalsContact OD1-N 3.08Å; D44-I48 VanDerWaalsContact O-CG1 3.3Å; D44-I48 WeakPolarHBondContact O-CG1 3.29Å; D44-I48 PolarHBondContact O-N 3.3Å | ||
| 45 | K | 97.7 | Very high | 97 | Very high | 144 Ų | 144 | 94 Ų | 94 | 63% | 0.626 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -53 | -42.9 | 177.6 | -173.9 | 176 | 179 | 174.8 | 0 | 113.3 | I38 A43 A49 | I38-K45 HydrophobicContact CG2-CB 3.77Å; I38-K45 HydrophobicContact CG2-CD 4.34Å; I38-K45 HydrophobicContact CG2-CG 4.33Å; A43-K45 PolarHBondContact O-N 3.42Å; K45-A49 WeakPolarHBondContact O-CB 3.04Å; K45-A49 PolarHBondContact O-N 2.79Å |
| 46 | N | 97.8 | Very high | 97 | Very high | 104 Ų | 104 | 90.7 Ų | 90.7 | 56% | 0.556 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -72.4 | -39 | -175.8 | -68 | -44.9 | 0 | 0 | 0 | 110.7 | D44 A49 K50 L62 | D44-N46 VanDerWaalsContact C-N 3.29Å; D44-N46 PolarHBondContact O-N 3.35Å; D44-N46 WeakPolarHBondContact OD1-CA 3.32Å; D44-N46 WeakPolarHBondContact OD1-CB 3.28Å; D44-N46 PolarHBondContact OD1-N 3.44Å; N46-A49 PolarHBondContact O-N 3.01Å; N46-K50 WeakPolarHBondContact O-CG 3.3Å; N46-K50 PolarHBondContact O-N 3.24Å; N46-K50 VanDerWaalsContact O-N 3.12Å; N46-L62 HydrophobicContact CB-CD1 3.62Å; N46-L62 HydrophobicContact CB-CD2 4.24Å |
| 47 | L | 97.6 | Very high | 97 | Very high | 26 Ų | 26 | 89.8 Ų | 89.8 | 14% | 0.136 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 175.5 | -172.3 | 59.3 | 0 | 0 | 0 | 111.1 | D44 A49 K50 W51 L59 L62 | D44-L47 HydrophobicContact CB-CB 3.89Å; D44-L47 PolarHBondContact O-N 3.25Å; D44-L47 PolarHBondContact OD1-N 3.22Å; D44-L47 VanDerWaalsContact OD1-N 3.08Å; L47-A49 VanDerWaalsContact C-N 3.3Å; L47-A49 PolarHBondContact O-N 3.28Å; L47-K50 WeakPolarHBondContact O-CA 3.26Å; L47-K50 WeakPolarHBondContact O-CB 3.32Å; L47-K50 PolarHBondContact O-N 2.07Å; L47-W51 HydrophobicContact CD1-CZ2 4.39Å; L47-W51 HydrophobicContact CD2-CH2 4.01Å; L47-W51 HydrophobicContact CD2-CZ2 3.58Å; L47-W51 HydrophobicContact CG-CD2 4.33Å; L47-W51 HydrophobicContact CG-CH2 4.27Å; L47-W51 HydrophobicContact CG-CZ2 3.71Å; L47-W51 PolarHBondContact O-N 2.98Å; L47-L59 HydrophobicContact CD1-CB 4.49Å; L47-L59 HydrophobicContact CD1-CD2 3.95Å; L47-L59 HydrophobicContact CD1-CG 4.11Å; L47-L62 HydrophobicContact CD1-CD2 4.4Å |
| 48 | I | 97.8 | Very high | 96.9 | Very high | 24 Ų | 24 | 93.5 Ų | 93.5 | 12% | 0.123 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -60 | -41.7 | 175.5 | -61.9 | 166 | 0 | 0 | 0 | 111.1 | Y34 I38 A43 D44 K50 W51 K52 | Y34-I48 HydrophobicContact CE2-CD1 4.26Å; Y34-I48 VanDerWaalsContact OH-CG2 3.32Å; Y34-I48 WeakPolarHBondContact OH-CG2 3.27Å; I38-I48 HydrophobicContact CD1-CD1 4.28Å; I38-I48 HydrophobicContact CG1-CD1 4.34Å; A43-I48 HydrophobicContact CB-CD1 4Å; D44-I48 VanDerWaalsContact O-CG1 3.3Å; D44-I48 WeakPolarHBondContact O-CG1 3.29Å; D44-I48 PolarHBondContact O-N 3.3Å; I48-K50 PolarHBondContact O-N 2.82Å; I48-W51 HydrophobicContact CG1-CE3 4.22Å; I48-W51 HydrophobicContact CG1-CZ3 4.28Å; I48-W51 PolarHBondContact O-N 3.19Å; I48-K52 PolarHBondContact O-N 2.98Å |
| 49 | A | 97.6 | Very high | 96.8 | Very high | 48 Ų | 48 | 91.9 Ų | 91.9 | 40% | 0.397 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.6 | -29 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K45 N46 L47 | K45-A49 WeakPolarHBondContact O-CB 3.04Å; K45-A49 PolarHBondContact O-N 2.79Å; N46-A49 PolarHBondContact O-N 3.01Å; L47-A49 VanDerWaalsContact C-N 3.3Å; L47-A49 PolarHBondContact O-N 3.28Å |
| 50 | K | 97.3 | Very high | 96.8 | Very high | 68 Ų | 68 | 85.7 Ų | 85.7 | 30% | 0.296 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -76.6 | -42.1 | 173.1 | -64.6 | -66.5 | 178.1 | 167.9 | 0 | 111.8 | N46 L47 I48 K52 K53 Y56 L59 L62 I65 | N46-K50 WeakPolarHBondContact O-CG 3.3Å; N46-K50 PolarHBondContact O-N 3.24Å; N46-K50 VanDerWaalsContact O-N 3.12Å; L47-K50 WeakPolarHBondContact O-CA 3.26Å; L47-K50 WeakPolarHBondContact O-CB 3.32Å; L47-K50 PolarHBondContact O-N 2.07Å; I48-K50 PolarHBondContact O-N 2.82Å; K50-K52 PolarHBondContact O-N 3.37Å; K50-K52 VanDerWaalsContact O-N 3.15Å; K50-K53 WeakPolarHBondContact O-CB 3.39Å; K50-K53 PolarHBondContact O-N 3.27Å; K50-Y56 WeakPolarHBondContact O-CB 3.41Å; K50-L59 HydrophobicContact CB-CD2 3.72Å; K50-L59 HydrophobicContact CG-CD2 4.07Å; K50-L62 HydrophobicContact CG-CD2 4.02Å; K50-I65 HydrophobicContact CD-CD1 3.73Å; K50-I65 HydrophobicContact CG-CD1 3.93Å |
| 51 | W | 97.4 | Very high | 96.8 | Very high | 113 Ų | 113 | 82.2 Ų | 82.2 | 43% | 0.428 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.3 | -27.2 | 177.3 | -67.4 | -21.4 | 0 | 0 | 0 | 113.7 | L47 I48 K53 Y56 L59 | L47-W51 HydrophobicContact CD1-CZ2 4.39Å; L47-W51 HydrophobicContact CD2-CH2 4.01Å; L47-W51 HydrophobicContact CD2-CZ2 3.58Å; L47-W51 HydrophobicContact CG-CD2 4.33Å; L47-W51 HydrophobicContact CG-CH2 4.27Å; L47-W51 HydrophobicContact CG-CZ2 3.71Å; L47-W51 PolarHBondContact O-N 2.98Å; I48-W51 HydrophobicContact CG1-CE3 4.22Å; I48-W51 HydrophobicContact CG1-CZ3 4.28Å; I48-W51 PolarHBondContact O-N 3.19Å; W51-K53 PolarHBondContact O-N 3Å; W51-Y56 VanDerWaalsContact CD1-O 3.27Å; W51-L59 PolarHBondContact NE1-O 3.4Å |
| 52 | K | 96.4 | Very high | 96.8 | Very high | 163 Ų | 163 | 81.8 Ų | 81.8 | 71% | 0.709 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -9.5 | 173.7 | -67.1 | -179.1 | -179 | -176.7 | 0 | 114.4 | I48 K50 | I48-K52 PolarHBondContact O-N 2.98Å; K50-K52 PolarHBondContact O-N 3.37Å; K50-K52 VanDerWaalsContact O-N 3.15Å |
| 53 | K | 96.3 | Very high | 96.8 | Very high | 116 Ų | 116 | 79.6 Ų | 79.6 | 50% | 0.504 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -94.7 | 140.7 | 179.9 | -59.8 | -168.5 | -178.8 | -159.2 | 0 | 110.7 | K50 W51 G55 Y56 | K50-K53 WeakPolarHBondContact O-CB 3.39Å; K50-K53 PolarHBondContact O-N 3.27Å; W51-K53 PolarHBondContact O-N 3Å; K53-G55 PolarHBondContact O-N 3.23Å; K53-Y56 HydrophobicContact CB-CD2 4.17Å; K53-Y56 PolarHBondContact O-N 3.21Å; K53-Y56 VanDerWaalsContact O-N 3.1Å |
| 54 | Q | 95.1 | Very high | 96.8 | Very high | 180 Ų | 180 | 77.9 Ų | 77.9 | 84% | 0.841 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 131.1 | 177.2 | -169.3 | 177.3 | 13.1 | 0 | 0 | 111.6 | Y56 E57 | Q54-Y56 VanDerWaalsContact C-N 3.32Å; Q54-Y56 WeakPolarHBondContact O-CD2 3.47Å; Q54-E57 VanDerWaalsContact CA-OE1 3.25Å; Q54-E57 WeakPolarHBondContact CA-OE1 3.32Å |
| 55 | G | 94 | Very high | 96.7 | Very high | 32 Ų | 32 | 75.1 Ų | 75.1 | 33% | 0.33 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -1.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K53 E57 R79 | K53-G55 PolarHBondContact O-N 3.23Å; G55-E57 WeakPolarHBondContact CA-OE2 3.38Å; G55-E57 VanDerWaalsContact N-CD 3.25Å; G55-E57 PolarHBondContact N-OE1 3.38Å; G55-E57 PolarHBondContact N-OE2 2.84Å; G55-R79 VanDerWaalsContact O-CZ 3.28Å; G55-R79 PolarHBondContact O-NH1 3.36Å; G55-R79 PolarHBondContact O-NH2 2.88Å |
| 56 | Y | 96.6 | Very high | 96.7 | Very high | 64 Ų | 64 | 71.4 Ų | 71.4 | 25% | 0.251 | 35% | 0.349 | S | S | . | . | trans | -117.4 | 10 | 178.6 | -68.7 | -90.5 | 0 | 0 | 0 | 113 | K50 W51 K53 Q54 N58 L59 I65 | K50-Y56 WeakPolarHBondContact O-CB 3.41Å; W51-Y56 VanDerWaalsContact CD1-O 3.27Å; K53-Y56 HydrophobicContact CB-CD2 4.17Å; K53-Y56 PolarHBondContact O-N 3.21Å; K53-Y56 VanDerWaalsContact O-N 3.1Å; Q54-Y56 VanDerWaalsContact C-N 3.32Å; Q54-Y56 WeakPolarHBondContact O-CD2 3.47Å; Y56-N58 PolarHBondContact O-N 3.12Å; Y56-N58 VanDerWaalsContact O-N 3.12Å; Y56-L59 HydrophobicContact CD1-CB 4.5Å; Y56-L59 HydrophobicContact CD1-CD1 4.4Å; Y56-L59 HydrophobicContact CD1-CD2 4.13Å; Y56-L59 VanDerWaalsContact O-CB 3.25Å; Y56-L59 WeakPolarHBondContact O-CB 3.25Å; Y56-L59 PolarHBondContact O-N 3.15Å; Y56-I65 HydrophobicContact CD1-CG2 4.16Å; Y56-I65 HydrophobicContact CE1-CB 4.39Å; Y56-I65 HydrophobicContact CE1-CD1 4.47Å; Y56-I65 HydrophobicContact CE1-CG2 3.64Å | ||
| 57 | E | 96.1 | Very high | 96.5 | Very high | 100 Ų | 100 | 69.8 Ų | 69.8 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -32.6 | -174.3 | -58 | 82.3 | 177.1 | 0 | 0 | 112.2 | Q54 G55 | Q54-E57 VanDerWaalsContact CA-OE1 3.25Å; Q54-E57 WeakPolarHBondContact CA-OE1 3.32Å; G55-E57 WeakPolarHBondContact CA-OE2 3.38Å; G55-E57 VanDerWaalsContact N-CD 3.25Å; G55-E57 PolarHBondContact N-OE1 3.38Å; G55-E57 PolarHBondContact N-OE2 2.84Å |
| 58 | N | 95.9 | Very high | 96.4 | Very high | 119 Ų | 119 | 78 Ų | 78 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | 28 | 179.2 | -62.5 | -45.9 | 0 | 0 | 0 | 112.6 | Y56 C60 C101 | Y56-N58 PolarHBondContact O-N 3.12Å; Y56-N58 VanDerWaalsContact O-N 3.12Å; N58-C60 PolarHBondContact O-N 3.3Å; N58-C101 WeakPolarHBondContact O-CB 3.11Å |
| 59 | L | 96.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 79.6 Ų | 79.6 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | trans | -62.4 | 127 | 179.6 | 178.9 | 64.3 | 0 | 0 | 0 | 111 | L47 K50 W51 Y56 I65 | L47-L59 HydrophobicContact CD1-CB 4.49Å; L47-L59 HydrophobicContact CD1-CD2 3.95Å; L47-L59 HydrophobicContact CD1-CG 4.11Å; K50-L59 HydrophobicContact CB-CD2 3.72Å; K50-L59 HydrophobicContact CG-CD2 4.07Å; W51-L59 PolarHBondContact NE1-O 3.4Å; Y56-L59 HydrophobicContact CD1-CB 4.5Å; Y56-L59 HydrophobicContact CD1-CD1 4.4Å; Y56-L59 HydrophobicContact CD1-CD2 4.13Å; Y56-L59 VanDerWaalsContact O-CB 3.25Å; Y56-L59 WeakPolarHBondContact O-CB 3.25Å; Y56-L59 PolarHBondContact O-N 3.15Å; L59-I65 HydrophobicContact CD1-CG2 3.44Å; L59-I65 VanDerWaalsContact CD1-CG2 3.44Å; L59-I65 HydrophobicContact CD2-CD1 3.73Å; L59-I65 HydrophobicContact CD2-CG1 4.17Å; L59-I65 HydrophobicContact CD2-CG2 4.13Å; L59-I65 HydrophobicContact CG-CG2 4.46Å | ||
| 60 | C | 96.8 | Very high | 96 | Very high | 41 Ų | 41 | 78.9 Ų | 78.9 | 28% | 0.277 | 37% | 0.372 | S | S | . | . | trans | -75.6 | -42.7 | -177.5 | 34.2 | 0 | 0 | 0 | 0 | 114.8 | N58 C78 C98 C101 | N58-C60 PolarHBondContact O-N 3.3Å; C60-C78 VanDerWaalsContact SG-SG 3.68Å; C60-C98 HydrophobicContact CB-CB 3.74Å; C60-C98 PolarHBondContact SG-SG 2.71Å; C60-C101 HydrophobicContact CB-CB 4.2Å; C60-C101 WeakPolarHBondContact CB-SG 3.34Å; C60-C101 WeakPolarHBondContact SG-CB 3.29Å; C60-C101 CovalentContact SG-SG 2.07Å; C60-C101 PolarHBondContact SG-SG 3.32Å | ||
| 61 | C | 97.1 | Very high | 95.8 | Very high | 25 Ų | 25 | 83.4 Ų | 83.4 | 17% | 0.169 | 40% | 0.4 | C | S | . | . | trans | -163.6 | 166.9 | 176.6 | 69.2 | 0 | 0 | 0 | 0 | 111.4 | C64 C96 | C61-C64 PolarHBondContact O-N 2.94Å; C61-C64 PolarHBondContact SG-SG 3.25Å; C61-C96 VanDerWaalsContact SG-SG 3.64Å | ||
| 62 | L | 96.9 | Very high | 95.7 | Very high | 52 Ų | 52 | 87 Ų | 87 | 27% | 0.272 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -70.7 | -30.4 | 179.8 | -64 | 173.3 | 0 | 0 | 0 | 113.3 | N46 L47 K50 C64 I65 Q66 | N46-L62 HydrophobicContact CB-CD1 3.62Å; N46-L62 HydrophobicContact CB-CD2 4.24Å; L47-L62 HydrophobicContact CD1-CD2 4.4Å; K50-L62 HydrophobicContact CG-CD2 4.02Å; L62-C64 VanDerWaalsContact C-N 3.27Å; L62-C64 PolarHBondContact O-N 3.24Å; L62-I65 HydrophobicContact CD2-CD1 4.42Å; L62-I65 WeakPolarHBondContact O-CG1 3.37Å; L62-I65 PolarHBondContact O-N 2.77Å; L62-Q66 PolarHBondContact O-N 3.36Å |
| 63 | R | 97.1 | Very high | 95.6 | Very high | 133 Ų | 133 | 81.4 Ų | 81.4 | 50% | 0.502 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -62.3 | -34.7 | 177.7 | -65.7 | -179.3 | 67.7 | -173.7 | 3.1 | 112.5 | I65 Q66 H95 | R63-I65 PolarHBondContact O-N 2.97Å; R63-I65 VanDerWaalsContact O-N 3.12Å; R63-Q66 PolarHBondContact O-N 2.89Å; R63-Q66 VanDerWaalsContact O-N 3.17Å; R63-H95 HydrophobicContact CB-CB 4.24Å; R63-H95 PolarHBondContact NH2-ND1 3.41Å |
| 64 | C | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -67.1 | -13.1 | -178.5 | -76.3 | 0 | 0 | 0 | 0 | 114.6 | C61 L62 C76 C78 C93 | C61-C64 PolarHBondContact O-N 2.94Å; C61-C64 PolarHBondContact SG-SG 3.25Å; L62-C64 VanDerWaalsContact C-N 3.27Å; L62-C64 PolarHBondContact O-N 3.24Å; C64-C76 HydrophobicContact CB-CB 3.92Å; C64-C76 WeakPolarHBondContact O-CB 3.25Å; C64-C76 PolarHBondContact O-N 3.02Å; C64-C78 PolarHBondContact SG-SG 3.08Å; C64-C93 PolarHBondContact SG-SG 3.17Å |
| 65 | I | 96.2 | Very high | 95.5 | Very high | 22 Ų | 22 | 73.9 Ų | 73.9 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -118.4 | 8 | 179.4 | 61 | 160.7 | 0 | 0 | 0 | 112 | K50 Y56 L59 L62 R63 N75 R79 | K50-I65 HydrophobicContact CD-CD1 3.73Å; K50-I65 HydrophobicContact CG-CD1 3.93Å; Y56-I65 HydrophobicContact CD1-CG2 4.16Å; Y56-I65 HydrophobicContact CE1-CB 4.39Å; Y56-I65 HydrophobicContact CE1-CD1 4.47Å; Y56-I65 HydrophobicContact CE1-CG2 3.64Å; L59-I65 HydrophobicContact CD1-CG2 3.44Å; L59-I65 VanDerWaalsContact CD1-CG2 3.44Å; L59-I65 HydrophobicContact CD2-CD1 3.73Å; L59-I65 HydrophobicContact CD2-CG1 4.17Å; L59-I65 HydrophobicContact CD2-CG2 4.13Å; L59-I65 HydrophobicContact CG-CG2 4.46Å; L62-I65 HydrophobicContact CD2-CD1 4.42Å; L62-I65 WeakPolarHBondContact O-CG1 3.37Å; L62-I65 PolarHBondContact O-N 2.77Å; R63-I65 PolarHBondContact O-N 2.97Å; R63-I65 VanDerWaalsContact O-N 3.12Å; I65-N75 WeakPolarHBondContact CA-OD1 3.41Å; I65-N75 PolarHBondContact O-OD1 3.35Å; I65-R79 HydrophobicContact CG2-CG 4.11Å |
| 66 | Q | 96.4 | Very high | 95.6 | Very high | 66 Ų | 66 | 73 Ų | 73 | 31% | 0.308 | 37% | 0.369 | S | S | . | . | trans | -99 | 106.3 | -175.2 | -174.6 | 64 | -13.1 | 0 | 0 | 109.4 | L62 R63 R68 D69 | L62-Q66 PolarHBondContact O-N 3.36Å; R63-Q66 PolarHBondContact O-N 2.89Å; R63-Q66 VanDerWaalsContact O-N 3.17Å; Q66-R68 VanDerWaalsContact C-N 3.26Å; Q66-R68 HydrophobicContact CG-CG 3.46Å; Q66-R68 VanDerWaalsContact CG-CG 3.46Å; Q66-R68 VanDerWaalsContact NE2-CD 3.34Å; Q66-R68 VanDerWaalsContact NE2-CZ 3.3Å; Q66-R68 PolarHBondContact O-N 3.41Å; Q66-D69 HydrophobicContact CB-CB 4.34Å; Q66-D69 HydrophobicContact CG-CB 4.41Å; Q66-D69 PolarHBondContact O-N 3.42Å | ||
| 67 | T | 94.6 | Very high | 95.4 | Very high | 70 Ų | 70 | 73 Ų | 73 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -63 | -31.3 | -173.5 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | D69 T70 G73 | T67-D69 PolarHBondContact O-N 3.5Å; T67-T70 PolarHBondContact O-N 3.12Å; T67-T70 PolarHBondContact O-OG1 3.37Å; T67-G73 VanDerWaalsContact CB-O 3.29Å; T67-G73 WeakPolarHBondContact CB-O 3.37Å; T67-G73 VanDerWaalsContact CG2-O 3.23Å; T67-G73 WeakPolarHBondContact CG2-O 3.42Å; T67-G73 VanDerWaalsContact O-CA 3.29Å; T67-G73 WeakPolarHBondContact O-CA 3.45Å |
| 68 | R | 95.8 | Very high | 95.4 | Very high | 198 Ų | 198 | 68.3 Ų | 68.3 | 75% | 0.747 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -68.3 | -16.5 | 175.2 | 62.8 | 163.8 | -163.8 | -155.3 | 0.7 | 114.4 | Q66 T70 | Q66-R68 VanDerWaalsContact C-N 3.26Å; Q66-R68 HydrophobicContact CG-CG 3.46Å; Q66-R68 VanDerWaalsContact CG-CG 3.46Å; Q66-R68 VanDerWaalsContact NE2-CD 3.34Å; Q66-R68 VanDerWaalsContact NE2-CZ 3.3Å; Q66-R68 PolarHBondContact O-N 3.41Å; R68-T70 VanDerWaalsContact C-N 3.29Å |
| 69 | D | 93.2 | Very high | 95.3 | Very high | 57 Ų | 57 | 64 Ų | 64 | 31% | 0.305 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -90.1 | 3.8 | -177.3 | -64.5 | -3 | 0 | 0 | 0 | 111.6 | Q66 T67 | Q66-D69 HydrophobicContact CB-CB 4.34Å; Q66-D69 HydrophobicContact CG-CB 4.41Å; Q66-D69 PolarHBondContact O-N 3.42Å; T67-D69 PolarHBondContact O-N 3.5Å |
| 70 | T | 93.3 | Very high | 95.2 | Very high | 34 Ų | 34 | 66.1 Ų | 66.1 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -127.2 | 149 | 176.4 | 73 | 0 | 0 | 0 | 0 | 111.7 | T67 R68 F72 G73 T74 | T67-T70 PolarHBondContact O-N 3.12Å; T67-T70 PolarHBondContact O-OG1 3.37Å; R68-T70 VanDerWaalsContact C-N 3.29Å; T70-F72 PolarHBondContact O-N 3.09Å; T70-G73 PolarHBondContact O-N 2.89Å; T70-T74 VanDerWaalsContact CG2-O 3.28Å; T70-T74 WeakPolarHBondContact CG2-O 3.25Å; T70-T74 PolarHBondContact OG1-N 2.98Å; T70-T74 PolarHBondContact OG1-O 3.05Å |
| 71 | N | 92.7 | Very high | 95 | Very high | 163 Ų | 163 | 66.1 Ų | 66.1 | 87% | 0.872 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -30.3 | -175.2 | -64.8 | -21.6 | 0 | 0 | 0 | 114 | ||
| 72 | F | 95 | Very high | 94.7 | Very high | 189 Ų | 189 | 70.6 Ų | 70.6 | 83% | 0.829 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 13.3 | -175 | -59.5 | -71.5 | 0 | 0 | 0 | 113.2 | T70 T74 | T70-F72 PolarHBondContact O-N 3.09Å; F72-T74 VanDerWaalsContact C-N 3.27Å; F72-T74 HydrophobicContact CB-CG2 4.41Å; F72-T74 PolarHBondContact O-N 2.74Å |
| 73 | G | 95 | Very high | 94.4 | Very high | 45 Ų | 45 | 73.6 Ų | 73.6 | 46% | 0.464 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 67.8 | 26.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T67 T70 | T67-G73 VanDerWaalsContact CB-O 3.29Å; T67-G73 WeakPolarHBondContact CB-O 3.37Å; T67-G73 VanDerWaalsContact CG2-O 3.23Å; T67-G73 WeakPolarHBondContact CG2-O 3.42Å; T67-G73 VanDerWaalsContact O-CA 3.29Å; T67-G73 WeakPolarHBondContact O-CA 3.45Å; T70-G73 PolarHBondContact O-N 2.89Å |
| 74 | T | 95.1 | Very high | 94.2 | Very high | 80 Ų | 80 | 75.2 Ų | 75.2 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | trans | -118.5 | 170.6 | -174.7 | -168.9 | 0 | 0 | 0 | 0 | 112.2 | T70 F72 | T70-T74 VanDerWaalsContact CG2-O 3.28Å; T70-T74 WeakPolarHBondContact CG2-O 3.25Å; T70-T74 PolarHBondContact OG1-N 2.98Å; T70-T74 PolarHBondContact OG1-O 3.05Å; F72-T74 VanDerWaalsContact C-N 3.27Å; F72-T74 HydrophobicContact CB-CG2 4.41Å; F72-T74 PolarHBondContact O-N 2.74Å | ||
| 75 | N | 93.9 | Very high | 93.9 | Very high | 58 Ų | 58 | 76.8 Ų | 76.8 | 31% | 0.31 | 40% | 0.399 | S | S | . | . | trans | -75.8 | 161 | 173.7 | -68.3 | -21.9 | 0 | 0 | 0 | 111 | I65 R79 | I65-N75 WeakPolarHBondContact CA-OD1 3.41Å; I65-N75 PolarHBondContact O-OD1 3.35Å; N75-R79 HydrophobicContact CB-CB 4.24Å; N75-R79 HydrophobicContact CB-CG 4.33Å | ||
| 76 | C | 95.3 | Very high | 93.7 | Very high | 12 Ų | 12 | 82.6 Ų | 82.6 | 8% | 0.081 | 43% | 0.426 | C | S | . | . | trans | -65.1 | 151.2 | 176.1 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | C64 C78 R79 C93 | C64-C76 HydrophobicContact CB-CB 3.92Å; C64-C76 WeakPolarHBondContact O-CB 3.25Å; C64-C76 PolarHBondContact O-N 3.02Å; C76-C78 PolarHBondContact O-N 2.97Å; C76-R79 WeakPolarHBondContact O-CB 3.27Å; C76-R79 PolarHBondContact O-N 2.71Å; C76-C93 PolarHBondContact SG-SG 3.43Å | ||
| 77 | I | 93.8 | Very high | 93.3 | Very high | 65 Ų | 65 | 87 Ų | 87 | 33% | 0.333 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -53 | -27.7 | 175.5 | -172.7 | 60.5 | 0 | 0 | 0 | 113.3 | R79 V80 L85 I91 | I77-R79 PolarHBondContact O-N 3.1Å; I77-R79 VanDerWaalsContact O-N 3.09Å; I77-V80 HydrophobicContact CD1-CB 4.24Å; I77-V80 HydrophobicContact CD1-CG2 3.83Å; I77-V80 WeakPolarHBondContact O-CB 3.15Å; I77-V80 PolarHBondContact O-N 3.08Å; I77-L85 HydrophobicContact CD1-CD2 3.99Å; I77-I91 HydrophobicContact CG1-CD1 3.89Å; I77-I91 HydrophobicContact CG1-CG2 4.29Å; I77-I91 HydrophobicContact CG2-CG2 3.85Å |
| 78 | C | 95.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 87 Ų | 87 | 1% | 0.007 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -62.7 | -16.5 | 175.9 | 69.9 | 0 | 0 | 0 | 0 | 113.3 | C60 C64 C76 C93 C98 G100 C101 | C60-C78 VanDerWaalsContact SG-SG 3.68Å; C64-C78 PolarHBondContact SG-SG 3.08Å; C76-C78 PolarHBondContact O-N 2.97Å; C78-C93 HydrophobicContact CB-CB 4.27Å; C78-C98 WeakPolarHBondContact CB-SG 3.15Å; C78-G100 CarbonylContact O-C 3.56Å; C78-G100 WeakPolarHBondContact O-CA 3.5Å; C78-C101 PolarHBondContact O-N 2.95Å; C78-C101 VanDerWaalsContact SG-SG 3.64Å |
| 79 | R | 95.4 | Very high | 92.5 | Very high | 29 Ų | 29 | 84 Ų | 84 | 11% | 0.109 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -87.1 | -5 | 175.9 | -66.3 | -63.1 | -61.2 | 145.4 | 5.2 | 113.7 | G55 I65 N75 C76 I77 C101 S102 | G55-R79 VanDerWaalsContact O-CZ 3.28Å; G55-R79 PolarHBondContact O-NH1 3.36Å; G55-R79 PolarHBondContact O-NH2 2.88Å; I65-R79 HydrophobicContact CG2-CG 4.11Å; N75-R79 HydrophobicContact CB-CB 4.24Å; N75-R79 HydrophobicContact CB-CG 4.33Å; C76-R79 WeakPolarHBondContact O-CB 3.27Å; C76-R79 PolarHBondContact O-N 2.71Å; I77-R79 PolarHBondContact O-N 3.1Å; I77-R79 VanDerWaalsContact O-N 3.09Å; R79-C101 PolarHBondContact NH1-O 3.26Å; R79-S102 WeakPolarHBondContact O-CB 3.29Å; R79-S102 PolarHBondContact O-OG 3.21Å |
| 80 | V | 94 | Very high | 92.2 | Very high | 49 Ų | 49 | 87.9 Ų | 87.9 | 30% | 0.297 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -79.1 | 125.6 | 174.5 | -177 | 0 | 0 | 0 | 0 | 109.1 | I77 K84 L85 | I77-V80 HydrophobicContact CD1-CB 4.24Å; I77-V80 HydrophobicContact CD1-CG2 3.83Å; I77-V80 WeakPolarHBondContact O-CB 3.15Å; I77-V80 PolarHBondContact O-N 3.08Å; V80-K84 HydrophobicContact CG1-CB 4.07Å; V80-L85 HydrophobicContact CB-CD2 4.16Å; V80-L85 HydrophobicContact CG1-CD2 3.71Å; V80-L85 HydrophobicContact CG1-CG 4.03Å |
| 81 | P | 93.4 | Very high | 92.1 | Very high | 40 Ų | 40 | 87 Ų | 87 | 26% | 0.26 | 47% | 0.473 | S | S | . | . | trans | -57.7 | 141.3 | 174.6 | -24.3 | 34.2 | 0 | 0 | 0 | 111.5 | S83 K84 | P81-S83 PolarHBondContact O-N 3.5Å; P81-S83 VanDerWaalsContact O-N 3.15Å; P81-K84 PolarHBondContact O-N 3.05Å | ||
| 82 | K | 90.6 | Very high | 92.2 | Very high | 120 Ų | 120 | 85.5 Ų | 85.5 | 52% | 0.522 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -60.1 | -29.9 | -177 | -69.7 | 176.2 | -178.2 | 159.7 | 0 | 113.5 | K84 L85 G103 | K82-K84 PolarHBondContact O-N 3.2Å; K82-L85 PolarHBondContact O-N 2.98Å; K82-G103 WeakPolarHBondContact CE-OXT 3.23Å; K82-G103 PolarHBondContact NZ-OXT 3.29Å |
| 83 | S | 90.8 | Very high | 92.2 | Very high | 114 Ų | 114 | 76.7 Ų | 76.7 | 80% | 0.797 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -62.7 | -19.8 | 176 | 56.3 | 0 | 0 | 0 | 0 | 114.4 | P81 | P81-S83 PolarHBondContact O-N 3.5Å; P81-S83 VanDerWaalsContact O-N 3.15Å |
| 84 | K | 92.1 | Very high | 92.1 | Very high | 168 Ų | 168 | 80.9 Ų | 80.9 | 73% | 0.73 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -98.9 | 0.1 | 176.7 | -62 | -171.5 | 178.4 | -174.9 | 0 | 112.9 | V80 P81 K82 | V80-K84 HydrophobicContact CG1-CB 4.07Å; P81-K84 PolarHBondContact O-N 3.05Å; K82-K84 PolarHBondContact O-N 3.2Å |
| 85 | L | 91 | Very high | 92.1 | Very high | 32 Ų | 32 | 79.2 Ų | 79.2 | 17% | 0.168 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -98.6 | 154.4 | 176.8 | -62.3 | 175.8 | 0 | 0 | 0 | 110 | I77 V80 K82 V87 I91 | I77-L85 HydrophobicContact CD1-CD2 3.99Å; V80-L85 HydrophobicContact CB-CD2 4.16Å; V80-L85 HydrophobicContact CG1-CD2 3.71Å; V80-L85 HydrophobicContact CG1-CG 4.03Å; K82-L85 PolarHBondContact O-N 2.98Å; L85-V87 PolarHBondContact O-N 3.15Å; L85-I91 HydrophobicContact CD1-CD1 4.06Å; L85-I91 HydrophobicContact CD1-CG1 3.6Å |
| 86 | E | 90.7 | Very high | 92.1 | Very high | 144 Ų | 144 | 79.2 Ų | 79.2 | 67% | 0.673 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 136.4 | 172.7 | -67 | 167.1 | 172.7 | 0 | 0 | 110.5 | G88 R89 | E86-G88 PolarHBondContact O-N 3.41Å; E86-R89 HydrophobicContact CB-CB 4.28Å; E86-R89 VanDerWaalsContact O-CB 3.27Å; E86-R89 WeakPolarHBondContact O-CB 3.2Å; E86-R89 PolarHBondContact O-N 3.12Å; E86-R89 VanDerWaalsContact O-N 3.08Å |
| 87 | V | 88.7 | Confident | 92.2 | Very high | 158 Ų | 158 | 80.2 Ų | 80.2 | 96% | 0.958 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 127.9 | -178.7 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | L85 R89 | L85-V87 PolarHBondContact O-N 3.15Å; V87-R89 VanDerWaalsContact C-N 3.33Å |
| 88 | G | 84.3 | Confident | 92.3 | Very high | 72 Ų | 72 | 78.2 Ų | 78.2 | 74% | 0.742 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | -2.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | E86 I90 | E86-G88 PolarHBondContact O-N 3.41Å; G88-I90 PolarHBondContact O-N 3.27Å |
| 89 | R | 88.5 | Confident | 92.2 | Very high | 135 Ų | 135 | 86.1 Ų | 86.1 | 51% | 0.509 | 46% | 0.463 | S | S | . | . | trans | -70 | 114.2 | 174.4 | -174.1 | 174.3 | 177.1 | 172 | -0.7 | 110.8 | E86 V87 I91 | E86-R89 HydrophobicContact CB-CB 4.28Å; E86-R89 VanDerWaalsContact O-CB 3.27Å; E86-R89 WeakPolarHBondContact O-CB 3.2Å; E86-R89 PolarHBondContact O-N 3.12Å; E86-R89 VanDerWaalsContact O-N 3.08Å; V87-R89 VanDerWaalsContact C-N 3.33Å; R89-I91 HydrophobicContact CG-CD1 3.93Å | ||
| 90 | I | 87.5 | Confident | 92.1 | Very high | 138 Ų | 138 | 86 Ų | 86 | 71% | 0.708 | 47% | 0.472 | S | S | * | . | trans | -77.9 | 125.8 | 172.1 | -57.7 | 174.8 | 0 | 0 | 0 | 108.4 | G88 | G88-I90 PolarHBondContact O-N 3.27Š| ||
| 91 | I | 91.2 | Very high | 92 | Very high | 16 Ų | 16 | 83.9 Ų | 83.9 | 8% | 0.082 | 46% | 0.459 | C | S | . | . | trans | -102.3 | 134.5 | 174.8 | -59.5 | -57 | 0 | 0 | 0 | 108.9 | I77 L85 R89 R99 | I77-I91 HydrophobicContact CG1-CD1 3.89Å; I77-I91 HydrophobicContact CG1-CG2 4.29Å; I77-I91 HydrophobicContact CG2-CG2 3.85Å; L85-I91 HydrophobicContact CD1-CD1 4.06Å; L85-I91 HydrophobicContact CD1-CG1 3.6Å; R89-I91 HydrophobicContact CG-CD1 3.93Å; I91-R99 VanDerWaalsContact O-CA 3.27Å; I91-R99 WeakPolarHBondContact O-CA 3.39Å; I91-R99 VanDerWaalsContact O-CB 3.32Å; I91-R99 WeakPolarHBondContact O-CB 3.42Å; I91-R99 VanDerWaalsContact O-CG 3.26Å; I91-R99 WeakPolarHBondContact O-CG 3.28Å | ||
| 92 | E | 94.5 | Very high | 91.8 | Very high | 130 Ų | 130 | 83.9 Ų | 83.9 | 61% | 0.607 | 46% | 0.46 | S | S | * | . | trans | -136.2 | 121.6 | 167.9 | -172.3 | 169.6 | 172.7 | 0 | 0 | 109.1 | ||||
| 93 | C | 94.8 | Very high | 90.7 | Very high | 4 Ų | 4 | 81.4 Ų | 81.4 | 3% | 0.027 | 47% | 0.469 | C | S | . | . | trans | -75 | 130 | 179.7 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | C64 C76 C78 H95 G97 C98 | C64-C93 PolarHBondContact SG-SG 3.17Å; C76-C93 PolarHBondContact SG-SG 3.43Å; C78-C93 HydrophobicContact CB-CB 4.27Å; C93-H95 PolarHBondContact O-N 3.28Å; C93-H95 PolarHBondContact SG-N 2.94Å; C93-G97 VanDerWaalsContact O-CA 3.28Å; C93-G97 WeakPolarHBondContact O-CA 3.49Å; C93-G97 PolarHBondContact O-N 3.3Å; C93-C98 WeakPolarHBondContact CB-SG 3.39Å; C93-C98 PolarHBondContact N-O 3.35Å | ||
| 94 | T | 93.2 | Very high | 90.7 | Very high | 133 Ų | 133 | 79.8 Ų | 79.8 | 82% | 0.816 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -16.8 | 175.8 | 55.1 | 0 | 0 | 0 | 0 | 114 | ||
| 95 | H | 94.5 | Very high | 90.6 | Very high | 45 Ų | 45 | 75.2 Ų | 75.2 | 21% | 0.208 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -33.1 | 179.2 | -56.9 | -52.6 | 0 | 0 | 0 | 113.8 | R63 C93 | R63-H95 HydrophobicContact CB-CB 4.24Å; R63-H95 PolarHBondContact NH2-ND1 3.41Å; C93-H95 PolarHBondContact O-N 3.28Å; C93-H95 PolarHBondContact SG-N 2.94Å |
| 96 | C | 95.8 | Very high | 90.6 | Very high | 59 Ų | 59 | 77.6 Ų | 77.6 | 40% | 0.399 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.8 | 4.3 | -172.2 | 63.5 | 0 | 0 | 0 | 0 | 115.3 | C61 C98 | C61-C96 VanDerWaalsContact SG-SG 3.64Å; C96-C98 PolarHBondContact O-N 3.02Å; C96-C98 PolarHBondContact SG-SG 3.42Å |
| 97 | G | 95.5 | Very high | 90.5 | Very high | 33 Ų | 33 | 73.6 Ų | 73.6 | 34% | 0.34 | 44% | 0.44 | S | S | . | . | trans | 72.8 | 6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | C93 | C93-G97 VanDerWaalsContact O-CA 3.28Å; C93-G97 WeakPolarHBondContact O-CA 3.49Å; C93-G97 PolarHBondContact O-N 3.3Å | ||
| 98 | C | 96.1 | Very high | 90.7 | Very high | 22 Ų | 22 | 68.4 Ų | 68.4 | 15% | 0.149 | 41% | 0.407 | C | S | . | . | trans | -68.2 | 154.8 | 179.6 | 67.8 | 0 | 0 | 0 | 0 | 112.5 | C60 C78 C93 C96 C101 | C60-C98 HydrophobicContact CB-CB 3.74Å; C60-C98 PolarHBondContact SG-SG 2.71Å; C78-C98 WeakPolarHBondContact CB-SG 3.15Å; C93-C98 WeakPolarHBondContact CB-SG 3.39Å; C93-C98 PolarHBondContact N-O 3.35Å; C96-C98 PolarHBondContact O-N 3.02Å; C96-C98 PolarHBondContact SG-SG 3.42Å; C98-C101 PolarHBondContact SG-SG 2.99Å | ||
| 99 | R | 94.2 | Very high | 91.1 | Very high | 167 Ų | 167 | 68.1 Ų | 68.1 | 63% | 0.63 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -114.4 | 32.9 | -175 | -52.5 | -169 | 175.5 | 175.9 | -2.8 | 113.9 | I91 | I91-R99 VanDerWaalsContact O-CA 3.27Å; I91-R99 WeakPolarHBondContact O-CA 3.39Å; I91-R99 VanDerWaalsContact O-CB 3.32Å; I91-R99 WeakPolarHBondContact O-CB 3.42Å; I91-R99 VanDerWaalsContact O-CG 3.26Å; I91-R99 WeakPolarHBondContact O-CG 3.28Å |
| 100 | G | 92.5 | Very high | 91.3 | Very high | 28 Ų | 28 | 63.4 Ų | 63.4 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | trans | 117.2 | 123.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C78 | C78-G100 CarbonylContact O-C 3.56Å; C78-G100 WeakPolarHBondContact O-CA 3.5Å | ||
| 101 | C | 93.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.027 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -117.9 | 5.4 | -176.4 | -44.7 | 0 | 0 | 0 | 0 | 111.6 | N58 C60 C78 R79 C98 | N58-C101 WeakPolarHBondContact O-CB 3.11Å; C60-C101 HydrophobicContact CB-CB 4.2Å; C60-C101 WeakPolarHBondContact CB-SG 3.34Å; C60-C101 WeakPolarHBondContact SG-CB 3.29Å; C60-C101 CovalentContact SG-SG 2.07Å; C60-C101 PolarHBondContact SG-SG 3.32Å; C78-C101 PolarHBondContact O-N 2.95Å; C78-C101 VanDerWaalsContact SG-SG 3.64Å; R79-C101 PolarHBondContact NH1-O 3.26Å; C98-C101 PolarHBondContact SG-SG 2.99Å |
| 102 | S | 87.4 | Confident | 91.6 | Very high | 40 Ų | 40 | 61.1 Ų | 61.1 | 28% | 0.28 | 37% | 0.373 | S | S | . | . | trans | -117.4 | 19.1 | -172.4 | -141.7 | 0 | 0 | 0 | 0 | 113.3 | R79 | R79-S102 WeakPolarHBondContact O-CB 3.29Å; R79-S102 PolarHBondContact O-OG 3.21Å | ||
| 103 | G | 67.7 | Low | 91.3 | Very high | 68 Ų | 68 | 54.8 Ų | 54.8 | 70% | 0.701 | 35% | 0.351 | S | S | * | . | trans | 90.2 | 0 | -166.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K82 | K82-G103 WeakPolarHBondContact CE-OXT 3.23Å; K82-G103 PolarHBondContact NZ-OXT 3.29Å |
Retrieved 103 of 103 residues in 172.4 ms
(Link to these results)