| 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 | 36.9 | Very low | 66.4 | Low | 241 Ų | 241 | 132.2 Ų | 132.2 | 100% | 1.187 | 75% | 0.75 | S | S | * | * | 0 | 89.6 | 0 | -61 | -56.6 | -169.4 | 0 | 0 | 107.3 | G3 | M1-G3 PolarHBondContact O-N 3.44Š| |||
| 2 | A | 42.9 | Very low | 68 | Low | 107 Ų | 107 | 126.8 Ų | 126.8 | 88% | 0.884 | 72% | 0.717 | S | S | * | * | trans | -70.1 | 125.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3 | G | 47.9 | Very low | 69.4 | Low | 73 Ų | 73 | 119.1 Ų | 119.1 | 75% | 0.753 | 67% | 0.673 | S | S | * | * | trans | -59 | 135.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1 S5 | M1-G3 PolarHBondContact O-N 3.44Å; G3-S5 PolarHBondContact O-N 2.89Å | ||
| 4 | E | 54.3 | Low | 70.4 | Confident | 192 Ų | 192 | 120.5 Ų | 120.5 | 90% | 0.897 | 66% | 0.662 | S | S | * | * | trans | -54.9 | 102.6 | 163.2 | -90.2 | 174.4 | 148.9 | 0 | 0 | 108.6 | V6 | E4-V6 PolarHBondContact O-N 2.93Å; E4-V6 VanDerWaalsContact O-N 3.17Å | ||
| 5 | S | 61.4 | Low | 71.7 | Confident | 86 Ų | 86 | 118.5 Ų | 118.5 | 60% | 0.601 | 65% | 0.648 | S | S | * | * | trans | -61.9 | 117 | 168.6 | 58.1 | 0 | 0 | 0 | 0 | 107.7 | G3 K7 | G3-S5 PolarHBondContact O-N 2.89Å; S5-K7 PolarHBondContact O-N 3.34Å | ||
| 6 | V | 71.8 | Confident | 72.7 | Confident | 139 Ų | 139 | 122.7 Ų | 122.7 | 84% | 0.842 | 66% | 0.658 | S | S | * | * | trans | -61.2 | 104.2 | 176.2 | 180 | 0 | 0 | 0 | 0 | 108.4 | E4 | E4-V6 PolarHBondContact O-N 2.93Å; E4-V6 VanDerWaalsContact O-N 3.17Å | ||
| 7 | K | 77.7 | Confident | 73.6 | Confident | 183 Ų | 183 | 123.8 Ų | 123.8 | 80% | 0.796 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -79 | 133.2 | 178.2 | -70.2 | 179.3 | -179.6 | 178.3 | 0 | 109.6 | S5 | S5-K7 PolarHBondContact O-N 3.34Š|
| 8 | L | 81.7 | Confident | 74.3 | Confident | 101 Ų | 101 | 119.4 Ų | 119.4 | 53% | 0.529 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 154 | 175.9 | -62.2 | 174.9 | 0 | 0 | 0 | 110.9 | L12 M18 | L8-L12 HydrophobicContact CD2-CD2 4.25Å; L8-M18 HydrophobicContact CD1-CE 3.45Å; L8-M18 VanDerWaalsContact CD1-CE 3.45Å; L8-M18 HydrophobicContact CD1-SD 4.29Å |
| 9 | S | 86.8 | Confident | 74.7 | Confident | 71 Ų | 71 | 117.9 Ų | 117.9 | 50% | 0.497 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 146.2 | -179.9 | 71.4 | 0 | 0 | 0 | 0 | 111.8 | N11 L12 L13 | S9-N11 VanDerWaalsContact C-N 3.25Å; S9-N11 PolarHBondContact O-N 3.23Å; S9-L12 PolarHBondContact O-N 3.38Å; S9-L12 VanDerWaalsContact O-N 3.14Å; S9-L12 WeakPolarHBondContact OG-CB 3.29Å; S9-L12 PolarHBondContact OG-N 3.39Å; S9-L13 PolarHBondContact O-N 3.42Å |
| 10 | K | 83.7 | Confident | 75.2 | Confident | 128 Ų | 128 | 124.2 Ų | 124.2 | 56% | 0.557 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -57.1 | -37.3 | 179 | -68.2 | -171.9 | 172.3 | -164.5 | 0 | 112.7 | L13 R14 L30 D33 | K10-L13 PolarHBondContact O-N 3.23Å; K10-R14 WeakPolarHBondContact O-CB 3.46Å; K10-R14 PolarHBondContact O-N 3.43Å; K10-L30 HydrophobicContact CB-CD2 4.19Å; K10-L30 HydrophobicContact CG-CD2 4.39Å; K10-D33 IonicContact NZ-OD2 3.94Å; K10-D33 PolarHBondContact NZ-OD2 3.11Å |
| 11 | N | 85.5 | Confident | 75.4 | Confident | 133 Ų | 133 | 121.9 Ų | 121.9 | 71% | 0.711 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66 | -38.7 | 178.3 | -73.3 | -14.8 | 0 | 0 | 0 | 112.8 | S9 | S9-N11 VanDerWaalsContact C-N 3.25Å; S9-N11 PolarHBondContact O-N 3.23Å |
| 12 | L | 85.9 | Confident | 77.5 | Confident | 67 Ų | 67 | 112 Ų | 112 | 35% | 0.351 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.7 | -41.5 | 176.5 | -176.9 | 63.3 | 0 | 0 | 0 | 110.6 | L8 S9 R14 M15 F17 M18 | L8-L12 HydrophobicContact CD2-CD2 4.25Å; S9-L12 PolarHBondContact O-N 3.38Å; S9-L12 VanDerWaalsContact O-N 3.14Å; S9-L12 WeakPolarHBondContact OG-CB 3.29Å; S9-L12 PolarHBondContact OG-N 3.39Å; L12-R14 PolarHBondContact O-N 3.06Å; L12-M15 HydrophobicContact CD1-SD 3.81Å; L12-M15 VanDerWaalsContact O-CB 3.32Å; L12-M15 WeakPolarHBondContact O-CB 3.34Å; L12-M15 WeakPolarHBondContact O-CG 3.25Å; L12-M15 PolarHBondContact O-N 3.15Å; L12-M15 VanDerWaalsContact O-N 3.08Å; L12-F17 HydrophobicContact CD1-CZ 4.24Å; L12-M18 HydrophobicContact CB-SD 4.49Å; L12-M18 HydrophobicContact CD1-SD 4.33Å; L12-M18 HydrophobicContact CD2-SD 4.25Å; L12-M18 HydrophobicContact CG-SD 3.64Å; L12-M18 VanDerWaalsContact O-SD 3.38Å |
| 13 | L | 86.1 | Confident | 79.4 | Confident | 27 Ų | 27 | 112.5 Ų | 112.5 | 14% | 0.141 | 58% | 0.582 | C | S | . | * | H | α-helix | trans | -63 | -28.4 | 178 | -151.9 | 60.7 | 0 | 0 | 0 | 113.2 | S9 K10 M15 M18 L22 L30 | S9-L13 PolarHBondContact O-N 3.42Å; K10-L13 PolarHBondContact O-N 3.23Å; L13-M15 VanDerWaalsContact C-N 3.27Å; L13-M15 PolarHBondContact O-N 2.91Å; L13-M18 HydrophobicContact CD1-CE 3.98Å; L13-M18 HydrophobicContact CD1-SD 4.32Å; L13-L22 HydrophobicContact CD1-CD1 3.27Å; L13-L22 HydrophobicContact CD1-CD2 4.26Å; L13-L22 HydrophobicContact CD1-CG 4.36Å; L13-L22 HydrophobicContact CD2-CD1 3.83Å; L13-L22 HydrophobicContact CD2-CD2 4.19Å; L13-L22 HydrophobicContact CG-CD1 3.58Å; L13-L22 HydrophobicContact CG-CD2 3.74Å; L13-L22 HydrophobicContact CG-CG 4.31Å; L13-L30 HydrophobicContact CB-CD1 4.13Å; L13-L30 HydrophobicContact CD2-CD1 4.12Å; L13-L30 HydrophobicContact CG-CD1 4.09Å |
| 14 | R | 83.4 | Confident | 80.9 | Confident | 139 Ų | 139 | 113 Ų | 113 | 53% | 0.525 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.2 | -18 | 176.1 | -166.2 | 176.2 | -177.3 | -150.3 | 0.6 | 113.3 | K10 L12 Q19 E34 | K10-R14 WeakPolarHBondContact O-CB 3.46Å; K10-R14 PolarHBondContact O-N 3.43Å; L12-R14 PolarHBondContact O-N 3.06Å; R14-Q19 PolarHBondContact O-NE2 2.97Å; R14-E34 IonicContact CZ-OE1 3.17Å; R14-E34 IonicContact NE-OE1 2.75Å; R14-E34 PolarHBondContact NE-OE1 3.4Å; R14-E34 IonicContact NH2-OE1 2.78Å; R14-E34 PolarHBondContact NH2-OE1 3.31Å |
| 15 | M | 89.3 | Confident | 81.9 | Confident | 90 Ų | 90 | 110.9 Ų | 110.9 | 44% | 0.443 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -66.5 | 139.9 | -178.2 | -60.7 | -171.3 | 81.6 | 0 | 0 | 111.7 | L12 L13 F17 M18 Q19 | L12-M15 HydrophobicContact CD1-SD 3.81Å; L12-M15 VanDerWaalsContact O-CB 3.32Å; L12-M15 WeakPolarHBondContact O-CB 3.34Å; L12-M15 WeakPolarHBondContact O-CG 3.25Å; L12-M15 PolarHBondContact O-N 3.15Å; L12-M15 VanDerWaalsContact O-N 3.08Å; L13-M15 VanDerWaalsContact C-N 3.27Å; L13-M15 PolarHBondContact O-N 2.91Å; M15-F17 HydrophobicContact CB-CD1 3.87Å; M15-F17 HydrophobicContact CB-CE1 3.51Å; M15-F17 HydrophobicContact CB-CZ 4Å; M15-F17 HydrophobicContact CE-CD1 4.48Å; M15-F17 HydrophobicContact CE-CE1 3.57Å; M15-F17 HydrophobicContact CE-CZ 4.34Å; M15-F17 HydrophobicContact CG-CE1 4.1Å; M15-F17 HydrophobicContact CG-CZ 4.47Å; M15-F17 PolarHBondContact O-N 3.43Å; M15-F17 HydrophobicContact SD-CE1 3.48Å; M15-F17 WeakPolarHBondContact SD-CE1 3.27Å; M15-F17 HydrophobicContact SD-CZ 3.71Å; M15-M18 PolarHBondContact O-N 3.36Å; M15-Q19 PolarHBondContact O-N 2.81Å |
| 16 | K | 88.3 | Confident | 82.8 | Confident | 186 Ų | 186 | 108.6 Ų | 108.6 | 81% | 0.809 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -35.3 | -174 | -67.6 | -172.1 | 177.6 | -177.2 | 0 | 114.4 | M18 Q19 | K16-M18 VanDerWaalsContact C-N 3.34Å; K16-Q19 PolarHBondContact O-N 3.27Å |
| 17 | F | 87.2 | Confident | 83.3 | Confident | 142 Ų | 142 | 106.4 Ų | 106.4 | 62% | 0.623 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -24.5 | -180 | 66.5 | -96.6 | 0 | 0 | 0 | 113.3 | L12 M15 | L12-F17 HydrophobicContact CD1-CZ 4.24Å; M15-F17 HydrophobicContact CB-CD1 3.87Å; M15-F17 HydrophobicContact CB-CE1 3.51Å; M15-F17 HydrophobicContact CB-CZ 4Å; M15-F17 HydrophobicContact CE-CD1 4.48Å; M15-F17 HydrophobicContact CE-CE1 3.57Å; M15-F17 HydrophobicContact CE-CZ 4.34Å; M15-F17 HydrophobicContact CG-CE1 4.1Å; M15-F17 HydrophobicContact CG-CZ 4.47Å; M15-F17 PolarHBondContact O-N 3.43Å; M15-F17 HydrophobicContact SD-CE1 3.48Å; M15-F17 WeakPolarHBondContact SD-CE1 3.27Å; M15-F17 HydrophobicContact SD-CZ 3.71Å |
| 18 | M | 86.3 | Confident | 83.7 | Confident | 44 Ų | 44 | 103.7 Ų | 103.7 | 22% | 0.217 | 52% | 0.519 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -25 | 175.3 | -68.6 | -143.9 | 72.5 | 0 | 0 | 112.5 | L8 L12 L13 M15 K16 R20 G21 L22 | L8-M18 HydrophobicContact CD1-CE 3.45Å; L8-M18 VanDerWaalsContact CD1-CE 3.45Å; L8-M18 HydrophobicContact CD1-SD 4.29Å; L12-M18 HydrophobicContact CB-SD 4.49Å; L12-M18 HydrophobicContact CD1-SD 4.33Å; L12-M18 HydrophobicContact CD2-SD 4.25Å; L12-M18 HydrophobicContact CG-SD 3.64Å; L12-M18 VanDerWaalsContact O-SD 3.38Å; L13-M18 HydrophobicContact CD1-CE 3.98Å; L13-M18 HydrophobicContact CD1-SD 4.32Å; M15-M18 PolarHBondContact O-N 3.36Å; K16-M18 VanDerWaalsContact C-N 3.34Å; M18-R20 VanDerWaalsContact C-N 3.26Å; M18-R20 PolarHBondContact O-N 2.98Å; M18-G21 PolarHBondContact O-N 3.32Å; M18-L22 WeakPolarHBondContact O-CB 3.44Å; M18-L22 PolarHBondContact O-N 2.98Å |
| 19 | Q | 82.9 | Confident | 83.9 | Confident | 91 Ų | 91 | 103.7 Ų | 103.7 | 43% | 0.425 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -23 | -174.7 | -68.3 | 177.6 | -6.8 | 0 | 0 | 114.7 | R14 M15 K16 | R14-Q19 PolarHBondContact O-NE2 2.97Å; M15-Q19 PolarHBondContact O-N 2.81Å; K16-Q19 PolarHBondContact O-N 3.27Å |
| 20 | R | 84.2 | Confident | 83.7 | Confident | 243 Ų | 243 | 101.6 Ų | 101.6 | 92% | 0.917 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -27.5 | -176.4 | -167.3 | 167.8 | 176.6 | 150 | -2 | 113.6 | M18 | M18-R20 VanDerWaalsContact C-N 3.26Å; M18-R20 PolarHBondContact O-N 2.98Å |
| 21 | G | 79.4 | Confident | 83.8 | Confident | 76 Ų | 76 | 99.2 Ų | 99.2 | 78% | 0.784 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -106.4 | 14 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M18 | M18-G21 PolarHBondContact O-N 3.32Š|
| 22 | L | 81.6 | Confident | 83.9 | Confident | 33 Ų | 33 | 96.3 Ų | 96.3 | 17% | 0.173 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -89.3 | 137.6 | -174.6 | -171.6 | 58.7 | 0 | 0 | 0 | 111.3 | L13 M18 A24 T26 K27 L30 | L13-L22 HydrophobicContact CD1-CD1 3.27Å; L13-L22 HydrophobicContact CD1-CD2 4.26Å; L13-L22 HydrophobicContact CD1-CG 4.36Å; L13-L22 HydrophobicContact CD2-CD1 3.83Å; L13-L22 HydrophobicContact CD2-CD2 4.19Å; L13-L22 HydrophobicContact CG-CD1 3.58Å; L13-L22 HydrophobicContact CG-CD2 3.74Å; L13-L22 HydrophobicContact CG-CG 4.31Å; M18-L22 WeakPolarHBondContact O-CB 3.44Å; M18-L22 PolarHBondContact O-N 2.98Å; L22-A24 PolarHBondContact O-N 3.28Å; L22-T26 WeakPolarHBondContact CD1-OG1 3.21Å; L22-T26 WeakPolarHBondContact CG-OG1 3.36Å; L22-K27 HydrophobicContact CD2-CB 4.1Å; L22-L30 HydrophobicContact CD2-CD1 4.13Å |
| 23 | D | 82.3 | Confident | 83.8 | Confident | 119 Ų | 119 | 95.5 Ų | 95.5 | 64% | 0.636 | 47% | 0.469 | S | S | * | . | trans | -58.5 | 134.9 | 174.5 | -66.9 | -30.4 | 0 | 0 | 0 | 110.7 | E25 T26 K27 | D23-E25 PolarHBondContact O-N 2.94Å; D23-E25 VanDerWaalsContact O-N 3.1Å; D23-T26 HydrophobicContact CB-CG2 4.38Å; D23-T26 PolarHBondContact O-N 3.39Å; D23-T26 PolarHBondContact O-OG1 3.21Å; D23-K27 PolarHBondContact O-N 3.34Å | ||
| 24 | A | 78.3 | Confident | 83.7 | Confident | 84 Ų | 84 | 97.6 Ų | 97.6 | 69% | 0.694 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -55.4 | -33.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | L22 K28 | L22-A24 PolarHBondContact O-N 3.28Å; A24-K28 WeakPolarHBondContact O-CB 3.46Å; A24-K28 PolarHBondContact O-N 2.86Å |
| 25 | E | 76.3 | Confident | 83.7 | Confident | 146 Ų | 146 | 97.4 Ų | 97.4 | 68% | 0.682 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67 | -43.9 | 177.3 | -171 | 172.2 | -169.6 | 0 | 0 | 112.3 | D23 K28 Q29 | D23-E25 PolarHBondContact O-N 2.94Å; D23-E25 VanDerWaalsContact O-N 3.1Å; E25-K28 PolarHBondContact O-N 3.45Å; E25-Q29 WeakPolarHBondContact O-CG 3.25Å; E25-Q29 PolarHBondContact O-N 3.49Å; E25-Q29 VanDerWaalsContact O-N 3.1Å |
| 26 | T | 80.4 | Confident | 83.4 | Confident | 39 Ų | 39 | 100.2 Ų | 100.2 | 24% | 0.239 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -71.1 | -33 | 178.1 | 60.8 | 0 | 0 | 0 | 0 | 112.4 | L22 D23 Q29 L30 | L22-T26 WeakPolarHBondContact CD1-OG1 3.21Å; L22-T26 WeakPolarHBondContact CG-OG1 3.36Å; D23-T26 HydrophobicContact CB-CG2 4.38Å; D23-T26 PolarHBondContact O-N 3.39Å; D23-T26 PolarHBondContact O-OG1 3.21Å; T26-Q29 PolarHBondContact O-N 2.88Å; T26-L30 WeakPolarHBondContact O-CG 3.31Å; T26-L30 PolarHBondContact O-N 3.01Å |
| 27 | K | 83.1 | Confident | 83.1 | Confident | 93 Ų | 93 | 96 Ų | 96 | 40% | 0.404 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 171.4 | -178.3 | 176.5 | 171.8 | -178.2 | 0 | 111.3 | L22 D23 Q29 L30 E31 | L22-K27 HydrophobicContact CD2-CB 4.1Å; D23-K27 PolarHBondContact O-N 3.34Å; K27-Q29 VanDerWaalsContact C-N 3.32Å; K27-Q29 PolarHBondContact O-N 3.35Å; K27-L30 PolarHBondContact O-N 2.98Å; K27-E31 WeakPolarHBondContact CE-OE1 3.31Å; K27-E31 WeakPolarHBondContact O-CG 3.46Å; K27-E31 PolarHBondContact O-N 3.41Å |
| 28 | K | 85.3 | Confident | 82.7 | Confident | 126 Ų | 126 | 93.4 Ų | 93.4 | 55% | 0.548 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 177.9 | -167.3 | -174.5 | 178.6 | -167.1 | 0 | 111.8 | A24 E25 L30 E31 E32 | A24-K28 WeakPolarHBondContact O-CB 3.46Å; A24-K28 PolarHBondContact O-N 2.86Å; E25-K28 PolarHBondContact O-N 3.45Å; K28-L30 PolarHBondContact O-N 3.34Å; K28-E31 PolarHBondContact O-N 2.95Å; K28-E32 WeakPolarHBondContact CE-OE1 3.34Å; K28-E32 IonicContact NZ-OE1 2.73Å; K28-E32 WeakPolarHBondContact O-CB 3.38Å; K28-E32 VanDerWaalsContact O-CG 3.31Å; K28-E32 WeakPolarHBondContact O-CG 3.42Å; K28-E32 PolarHBondContact O-N 3.07Å |
| 29 | Q | 84.8 | Confident | 82.2 | Confident | 100 Ų | 100 | 95 Ų | 95 | 47% | 0.467 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 175.7 | -70.9 | 173.6 | 7.9 | 0 | 0 | 112.7 | E25 T26 K27 E32 D33 | E25-Q29 WeakPolarHBondContact O-CG 3.25Å; E25-Q29 PolarHBondContact O-N 3.49Å; E25-Q29 VanDerWaalsContact O-N 3.1Å; T26-Q29 PolarHBondContact O-N 2.88Å; K27-Q29 VanDerWaalsContact C-N 3.32Å; K27-Q29 PolarHBondContact O-N 3.35Å; Q29-E32 PolarHBondContact O-N 3.06Å; Q29-D33 WeakPolarHBondContact O-CB 3.37Å; Q29-D33 PolarHBondContact O-N 3.46Å |
| 30 | L | 84.3 | Confident | 82.1 | Confident | 28 Ų | 28 | 97.1 Ų | 97.1 | 15% | 0.147 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 176.3 | -69.3 | 176.5 | 0 | 0 | 0 | 112 | K10 L13 L22 T26 K27 K28 E32 D33 E34 | K10-L30 HydrophobicContact CB-CD2 4.19Å; K10-L30 HydrophobicContact CG-CD2 4.39Å; L13-L30 HydrophobicContact CB-CD1 4.13Å; L13-L30 HydrophobicContact CD2-CD1 4.12Å; L13-L30 HydrophobicContact CG-CD1 4.09Å; L22-L30 HydrophobicContact CD2-CD1 4.13Å; T26-L30 WeakPolarHBondContact O-CG 3.31Å; T26-L30 PolarHBondContact O-N 3.01Å; K27-L30 PolarHBondContact O-N 2.98Å; K28-L30 PolarHBondContact O-N 3.34Å; L30-E32 VanDerWaalsContact C-N 3.35Å; L30-D33 PolarHBondContact O-N 3.48Å; L30-E34 WeakPolarHBondContact O-CG 3.44Å; L30-E34 PolarHBondContact O-N 3.43Å |
| 31 | E | 85.9 | Confident | 82 | Confident | 77 Ų | 77 | 92.2 Ų | 92.2 | 36% | 0.36 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.3 | -36.7 | 176 | -70.9 | 176.3 | -171.1 | 0 | 0 | 112.1 | K27 K28 E34 K35 | K27-E31 WeakPolarHBondContact CE-OE1 3.31Å; K27-E31 WeakPolarHBondContact O-CG 3.46Å; K27-E31 PolarHBondContact O-N 3.41Å; K28-E31 PolarHBondContact O-N 2.95Å; E31-E34 PolarHBondContact O-N 3.22Å; E31-K35 WeakPolarHBondContact O-CB 3.43Å; E31-K35 VanDerWaalsContact O-CG 3.24Å; E31-K35 WeakPolarHBondContact O-CG 2.92Å; E31-K35 PolarHBondContact O-N 2.94Å |
| 32 | E | 86.8 | Confident | 82.1 | Confident | 72 Ų | 72 | 94.6 Ų | 94.6 | 34% | 0.336 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66 | -43.5 | 173.1 | -75.1 | 173.2 | -163.6 | 0 | 0 | 111.6 | K28 Q29 L30 E34 K35 R36 | K28-E32 WeakPolarHBondContact CE-OE1 3.34Å; K28-E32 IonicContact NZ-OE1 2.73Å; K28-E32 WeakPolarHBondContact O-CB 3.38Å; K28-E32 VanDerWaalsContact O-CG 3.31Å; K28-E32 WeakPolarHBondContact O-CG 3.42Å; K28-E32 PolarHBondContact O-N 3.07Å; Q29-E32 PolarHBondContact O-N 3.06Å; L30-E32 VanDerWaalsContact C-N 3.35Å; E32-E34 VanDerWaalsContact C-N 3.3Å; E32-E34 PolarHBondContact O-N 2.91Å; E32-K35 PolarHBondContact O-N 3.37Å; E32-R36 WeakPolarHBondContact O-CB 3.41Å; E32-R36 VanDerWaalsContact O-CG 3.24Å; E32-R36 WeakPolarHBondContact O-CG 3.38Å; E32-R36 PolarHBondContact O-N 3.11Å |
| 33 | D | 84.5 | Confident | 82.1 | Confident | 51 Ų | 51 | 103.4 Ų | 103.4 | 27% | 0.273 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 174.5 | -76.8 | -10.8 | 0 | 0 | 0 | 110.7 | K10 Q29 L30 R36 I37 | K10-D33 IonicContact NZ-OD2 3.94Å; K10-D33 PolarHBondContact NZ-OD2 3.11Å; Q29-D33 WeakPolarHBondContact O-CB 3.37Å; Q29-D33 PolarHBondContact O-N 3.46Å; L30-D33 PolarHBondContact O-N 3.48Å; D33-R36 PolarHBondContact O-N 3.16Å; D33-I37 WeakPolarHBondContact O-CD1 3.45Å; D33-I37 WeakPolarHBondContact O-CG1 3.45Å; D33-I37 PolarHBondContact O-N 3.5Å; D33-I37 VanDerWaalsContact O-N 3.09Å |
| 34 | E | 82.9 | Confident | 81.8 | Confident | 70 Ų | 70 | 106.3 Ų | 106.3 | 33% | 0.327 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 174.1 | -73.6 | -176.5 | 161.5 | 0 | 0 | 112.5 | R14 L30 E31 E32 R36 I37 I38 | R14-E34 IonicContact CZ-OE1 3.17Å; R14-E34 IonicContact NE-OE1 2.75Å; R14-E34 PolarHBondContact NE-OE1 3.4Å; R14-E34 IonicContact NH2-OE1 2.78Å; R14-E34 PolarHBondContact NH2-OE1 3.31Å; L30-E34 WeakPolarHBondContact O-CG 3.44Å; L30-E34 PolarHBondContact O-N 3.43Å; E31-E34 PolarHBondContact O-N 3.22Å; E32-E34 VanDerWaalsContact C-N 3.3Å; E32-E34 PolarHBondContact O-N 2.91Å; E34-R36 VanDerWaalsContact C-N 3.27Å; E34-R36 PolarHBondContact O-N 2.69Å; E34-I37 PolarHBondContact O-N 3.27Å; E34-I38 VanDerWaalsContact O-CG1 3.25Å; E34-I38 WeakPolarHBondContact O-CG1 3.24Å; E34-I38 PolarHBondContact O-N 2.91Å |
| 35 | K | 83.8 | Confident | 81.9 | Confident | 135 Ų | 135 | 108.2 Ų | 108.2 | 59% | 0.587 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.4 | -33.7 | 176.4 | -75 | 172.8 | -175 | 177.6 | 0 | 112.2 | E31 E32 S39 | E31-K35 WeakPolarHBondContact O-CB 3.43Å; E31-K35 VanDerWaalsContact O-CG 3.24Å; E31-K35 WeakPolarHBondContact O-CG 2.92Å; E31-K35 PolarHBondContact O-N 2.94Å; E32-K35 PolarHBondContact O-N 3.37Å; K35-S39 WeakPolarHBondContact O-CB 3.2Å; K35-S39 PolarHBondContact O-N 3Å |
| 36 | R | 83.9 | Confident | 81.8 | Confident | 150 Ų | 150 | 105.2 Ų | 105.2 | 57% | 0.566 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.3 | -48.6 | 174.4 | -74.5 | 173.9 | -166.2 | -154 | 7.2 | 111.2 | E32 D33 E34 I38 S39 D40 | E32-R36 WeakPolarHBondContact O-CB 3.41Å; E32-R36 VanDerWaalsContact O-CG 3.24Å; E32-R36 WeakPolarHBondContact O-CG 3.38Å; E32-R36 PolarHBondContact O-N 3.11Å; D33-R36 PolarHBondContact O-N 3.16Å; E34-R36 VanDerWaalsContact C-N 3.27Å; E34-R36 PolarHBondContact O-N 2.69Å; R36-I38 VanDerWaalsContact C-N 3.28Å; R36-I38 PolarHBondContact O-N 2.96Å; R36-S39 PolarHBondContact O-N 3.27Å; R36-S39 VanDerWaalsContact O-N 3.14Å; R36-D40 WeakPolarHBondContact O-CB 3.46Å; R36-D40 PolarHBondContact O-N 3.4Å |
| 37 | I | 79.9 | Confident | 81.7 | Confident | 96 Ų | 96 | 107.4 Ų | 107.4 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.5 | -46.9 | 176.5 | -67.1 | 159 | 0 | 0 | 0 | 110.4 | D33 E34 D40 E41 | D33-I37 WeakPolarHBondContact O-CD1 3.45Å; D33-I37 WeakPolarHBondContact O-CG1 3.45Å; D33-I37 PolarHBondContact O-N 3.5Å; D33-I37 VanDerWaalsContact O-N 3.09Å; E34-I37 PolarHBondContact O-N 3.27Å; I37-D40 PolarHBondContact O-N 3.22Å; I37-E41 WeakPolarHBondContact O-CG 3.19Å; I37-E41 PolarHBondContact O-N 3.1Å |
| 38 | I | 80.4 | Confident | 81.3 | Confident | 88 Ų | 88 | 107.6 Ų | 107.6 | 45% | 0.451 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.7 | -52 | 176.5 | -67.8 | 170.2 | 0 | 0 | 0 | 109.6 | E34 R36 D40 E41 H42 | E34-I38 VanDerWaalsContact O-CG1 3.25Å; E34-I38 WeakPolarHBondContact O-CG1 3.24Å; E34-I38 PolarHBondContact O-N 2.91Å; R36-I38 VanDerWaalsContact C-N 3.28Å; R36-I38 PolarHBondContact O-N 2.96Å; I38-D40 VanDerWaalsContact C-N 3.28Å; I38-D40 PolarHBondContact O-N 3.45Å; I38-E41 PolarHBondContact O-N 3.35Å; I38-E41 VanDerWaalsContact O-N 3.1Å; I38-H42 WeakPolarHBondContact CG2-CE1 3.34Å; I38-H42 WeakPolarHBondContact CG2-ND1 3.3Å; I38-H42 PolarHBondContact O-N 2.78Å; I38-H42 PolarHBondContact O-ND1 2.82Å |
| 39 | S | 76.1 | Confident | 80.6 | Confident | 77 Ų | 77 | 108.9 Ų | 108.9 | 54% | 0.538 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.2 | -36.3 | -179.8 | -173.7 | 0 | 0 | 0 | 0 | 113.5 | K35 R36 E41 H42 | K35-S39 WeakPolarHBondContact O-CB 3.2Å; K35-S39 PolarHBondContact O-N 3Å; R36-S39 PolarHBondContact O-N 3.27Å; R36-S39 VanDerWaalsContact O-N 3.14Å; S39-E41 VanDerWaalsContact C-N 3.28Å; S39-E41 PolarHBondContact O-N 3.18Å; S39-H42 PolarHBondContact O-N 3.46Å |
| 40 | D | 80 | Confident | 79.7 | Confident | 136 Ų | 136 | 109.9 Ų | 109.9 | 73% | 0.727 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.9 | -29.2 | 179.6 | -68.3 | -14.4 | 0 | 0 | 0 | 111.3 | R36 I37 I38 | R36-D40 WeakPolarHBondContact O-CB 3.46Å; R36-D40 PolarHBondContact O-N 3.4Å; I37-D40 PolarHBondContact O-N 3.22Å; I38-D40 VanDerWaalsContact C-N 3.28Å; I38-D40 PolarHBondContact O-N 3.45Å |
| 41 | E | 81.6 | Confident | 78.7 | Confident | 141 Ų | 141 | 115.6 Ų | 115.6 | 66% | 0.659 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -82.7 | -23.5 | 173.1 | -67.2 | 174 | -175 | 0 | 0 | 112.9 | I37 I38 S39 W43 | I37-E41 WeakPolarHBondContact O-CG 3.19Å; I37-E41 PolarHBondContact O-N 3.1Å; I38-E41 PolarHBondContact O-N 3.35Å; I38-E41 VanDerWaalsContact O-N 3.1Å; S39-E41 VanDerWaalsContact C-N 3.28Å; S39-E41 PolarHBondContact O-N 3.18Å; E41-W43 PolarHBondContact O-N 3.22Å |
| 42 | H | 81.1 | Confident | 77.7 | Confident | 126 Ų | 126 | 116.1 Ų | 116.1 | 58% | 0.583 | 57% | 0.569 | S | S | * | * | trans | -79.3 | 88.5 | 179.5 | -76.2 | 56.5 | 0 | 0 | 0 | 110.6 | I38 S39 | I38-H42 WeakPolarHBondContact CG2-CE1 3.34Å; I38-H42 WeakPolarHBondContact CG2-ND1 3.3Å; I38-H42 PolarHBondContact O-N 2.78Å; I38-H42 PolarHBondContact O-ND1 2.82Å; S39-H42 PolarHBondContact O-N 3.46Å | ||
| 43 | W | 82.5 | Confident | 76.8 | Confident | 218 Ų | 218 | 120.1 Ų | 120.1 | 83% | 0.826 | 59% | 0.586 | S | S | * | * | trans | -75.7 | 135.8 | 167.6 | 64.8 | -83.9 | 0 | 0 | 0 | 110.3 | E41 L45 | E41-W43 PolarHBondContact O-N 3.22Å; W43-L45 HydrophobicContact CZ3-CB 4.27Å | ||
| 44 | Y | 75.5 | Confident | 76.2 | Confident | 179 Ų | 179 | 125.6 Ų | 125.6 | 70% | 0.702 | 61% | 0.61 | S | S | * | * | trans | -113 | 141.7 | 172.3 | 54.4 | -88.1 | 0 | 0 | 0 | 109.8 | D46 | Y44-D46 VanDerWaalsContact CE2-OD2 3.25Å; Y44-D46 WeakPolarHBondContact CE2-OD2 3.42Å | ||
| 45 | L | 81.5 | Confident | 75.9 | Confident | 125 Ų | 125 | 128.4 Ų | 128.4 | 65% | 0.654 | 63% | 0.627 | S | S | * | * | trans | -98.5 | 106.2 | 169.1 | -177 | 64.6 | 0 | 0 | 0 | 108.5 | W43 L47 | W43-L45 HydrophobicContact CZ3-CB 4.27Å; L45-L47 HydrophobicContact CD2-CD1 4.12Å; L45-L47 HydrophobicContact CD2-CD2 4.23Å; L45-L47 HydrophobicContact CD2-CG 4.17Å; L45-L47 HydrophobicContact CG-CD1 4.5Å; L45-L47 HydrophobicContact CG-CD2 4.17Å; L45-L47 HydrophobicContact CG-CG 4.06Å; L45-L47 PolarHBondContact O-N 3.41Å | ||
| 46 | D | 73.9 | Confident | 75.6 | Confident | 83 Ų | 83 | 130.3 Ų | 130.3 | 44% | 0.444 | 64% | 0.643 | S | S | . | * | trans | -74.5 | 107.6 | 175.7 | -84.3 | -27.1 | 0 | 0 | 0 | 110.4 | Y44 P48 K51 | Y44-D46 VanDerWaalsContact CE2-OD2 3.25Å; Y44-D46 WeakPolarHBondContact CE2-OD2 3.42Å; D46-P48 WeakPolarHBondContact O-CD 3.29Å; D46-K51 IonicContact OD1-NZ 2.68Å; D46-K51 PolarHBondContact OD1-NZ 3.2Å | ||
| 47 | L | 77.7 | Confident | 75.7 | Confident | 84 Ų | 84 | 130.1 Ų | 130.1 | 44% | 0.44 | 65% | 0.651 | S | S | . | * | trans | -110.3 | 94.3 | 168.9 | -61.8 | 176.6 | 0 | 0 | 0 | 108.6 | L45 E49 L50 K51 | L45-L47 HydrophobicContact CD2-CD1 4.12Å; L45-L47 HydrophobicContact CD2-CD2 4.23Å; L45-L47 HydrophobicContact CD2-CG 4.17Å; L45-L47 HydrophobicContact CG-CD1 4.5Å; L45-L47 HydrophobicContact CG-CD2 4.17Å; L45-L47 HydrophobicContact CG-CG 4.06Å; L45-L47 PolarHBondContact O-N 3.41Å; L47-E49 PolarHBondContact O-N 3.13Å; L47-E49 VanDerWaalsContact O-N 3.12Å; L47-L50 HydrophobicContact CB-CB 4.49Å; L47-L50 HydrophobicContact CB-CD1 3.68Å; L47-L50 HydrophobicContact CD1-CD1 3.59Å; L47-L50 HydrophobicContact CG-CD1 4.28Å; L47-L50 PolarHBondContact O-N 3.25Å; L47-L50 VanDerWaalsContact O-N 3.11Å; L47-K51 PolarHBondContact O-N 3.02Å | ||
| 48 | P | 74.9 | Confident | 75.8 | Confident | 98 Ų | 98 | 131.1 Ų | 131.1 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -55.9 | -30.1 | -177.7 | -26.5 | 34.8 | 0 | 0 | 0 | 113.7 | D46 L50 K51 A52 | D46-P48 WeakPolarHBondContact O-CD 3.29Å; P48-L50 VanDerWaalsContact C-N 3.34Å; P48-L50 PolarHBondContact O-N 3.43Å; P48-K51 PolarHBondContact O-N 3.11Å; P48-A52 PolarHBondContact O-N 3.49Å; P48-A52 VanDerWaalsContact O-N 3.16Å |
| 49 | E | 71 | Confident | 75.9 | Confident | 152 Ų | 152 | 135.8 Ų | 135.8 | 71% | 0.71 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -69 | -27.8 | -179.6 | -62.5 | -176.5 | -178.3 | 0 | 0 | 114 | L47 K53 | L47-E49 PolarHBondContact O-N 3.13Å; L47-E49 VanDerWaalsContact O-N 3.12Å; E49-K53 WeakPolarHBondContact O-CG 3.41Å |
| 50 | L | 65.8 | Low | 76.3 | Confident | 121 Ų | 121 | 137.9 Ų | 137.9 | 63% | 0.634 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -85.4 | -33.6 | 175.1 | -81 | 115.2 | 0 | 0 | 0 | 111.8 | L47 P48 A52 K53 | L47-L50 HydrophobicContact CB-CB 4.49Å; L47-L50 HydrophobicContact CB-CD1 3.68Å; L47-L50 HydrophobicContact CD1-CD1 3.59Å; L47-L50 HydrophobicContact CG-CD1 4.28Å; L47-L50 PolarHBondContact O-N 3.25Å; L47-L50 VanDerWaalsContact O-N 3.11Å; P48-L50 VanDerWaalsContact C-N 3.34Å; P48-L50 PolarHBondContact O-N 3.43Å; L50-A52 VanDerWaalsContact C-N 3.28Å; L50-A52 PolarHBondContact O-N 3.03Å; L50-K53 CarbonylContact O-C 3.42Å; L50-K53 PolarHBondContact O-N 3.22Å |
| 51 | K | 63.5 | Low | 76.6 | Confident | 148 Ų | 148 | 141.7 Ų | 141.7 | 64% | 0.643 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -63.3 | -34.6 | 173.9 | -75.6 | 179.9 | 172 | 172.6 | 0 | 112.3 | D46 L47 P48 K53 | D46-K51 IonicContact OD1-NZ 2.68Å; D46-K51 PolarHBondContact OD1-NZ 3.2Å; L47-K51 PolarHBondContact O-N 3.02Å; P48-K51 PolarHBondContact O-N 3.11Å; K51-K53 VanDerWaalsContact C-N 3.32Å |
| 52 | A | 65.4 | Low | 76.8 | Confident | 88 Ų | 88 | 137.5 Ų | 137.5 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -19 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P48 L50 | P48-A52 PolarHBondContact O-N 3.49Å; P48-A52 VanDerWaalsContact O-N 3.16Å; L50-A52 VanDerWaalsContact C-N 3.28Å; L50-A52 PolarHBondContact O-N 3.03Å |
| 53 | K | 67.4 | Low | 76.9 | Confident | 157 Ų | 157 | 136.4 Ų | 136.4 | 68% | 0.683 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -105.8 | 65.7 | 177.5 | -65.7 | 176.5 | -174.1 | 172.1 | 0 | 108.9 | E49 L50 K51 | E49-K53 WeakPolarHBondContact O-CG 3.41Å; L50-K53 CarbonylContact O-C 3.42Å; L50-K53 PolarHBondContact O-N 3.22Å; K51-K53 VanDerWaalsContact C-N 3.32Å |
| 54 | E | 70.3 | Confident | 77 | Confident | 166 Ų | 166 | 131 Ų | 131 | 78% | 0.776 | 66% | 0.663 | S | S | * | * | trans | -61.3 | 150.5 | 166.2 | -169.6 | 166.1 | -160.8 | 0 | 0 | 109.6 | L56 | E54-L56 PolarHBondContact O-N 3.07Š| ||
| 55 | N | 77.1 | Confident | 77.3 | Confident | 129 Ų | 129 | 126.5 Ų | 126.5 | 69% | 0.69 | 66% | 0.655 | S | S | * | * | trans | -65.3 | 110.9 | -177.2 | -65.2 | -35.2 | 0 | 0 | 0 | 109.6 | I57 I58 | N55-I57 PolarHBondContact O-N 3.16Å; N55-I58 HydrophobicContact CB-CG1 4.2Å | ||
| 56 | L | 78.8 | Confident | 77.2 | Confident | 174 Ų | 174 | 125.6 Ų | 125.6 | 91% | 0.911 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -65.9 | -27.9 | 177.1 | -89.5 | 85.9 | 0 | 0 | 0 | 112.9 | E54 | E54-L56 PolarHBondContact O-N 3.07Š|
| 57 | I | 85.8 | Confident | 77.5 | Confident | 146 Ų | 146 | 126.3 Ų | 126.3 | 75% | 0.749 | 66% | 0.659 | S | S | * | * | trans | -136 | 127.8 | -178.1 | -56.1 | 174.9 | 0 | 0 | 0 | 107.5 | N55 | N55-I57 PolarHBondContact O-N 3.16Š| ||
| 58 | I | 82.4 | Confident | 77.5 | Confident | 117 Ų | 117 | 128.7 Ų | 128.7 | 60% | 0.6 | 67% | 0.672 | S | S | * | * | trans | -114.2 | 116.4 | 177.8 | -56.7 | 173.6 | 0 | 0 | 0 | 106.9 | N55 E60 | N55-I58 HydrophobicContact CB-CG1 4.2Å; I58-E60 HydrophobicContact CG2-CG 3.9Å; I58-E60 PolarHBondContact O-N 2.78Å | ||
| 59 | E | 82.6 | Confident | 77.9 | Confident | 187 Ų | 187 | 129.2 Ų | 129.2 | 87% | 0.874 | 67% | 0.669 | S | S | * | * | trans | -84.5 | 103.4 | 175.2 | -67.6 | -179.1 | -177.8 | 0 | 0 | 109.3 | ||||
| 60 | E | 83.8 | Confident | 78.5 | Confident | 120 Ų | 120 | 126.1 Ų | 126.1 | 56% | 0.561 | 66% | 0.657 | S | S | * | * | trans | -99.3 | 134.1 | 174 | -63.6 | -165.3 | 168 | 0 | 0 | 111 | I58 S62 P65 | I58-E60 HydrophobicContact CG2-CG 3.9Å; I58-E60 PolarHBondContact O-N 2.78Å; E60-S62 VanDerWaalsContact C-N 3.3Å; E60-P65 VanDerWaalsContact OE2-CG 3.31Å; E60-P65 WeakPolarHBondContact OE2-CG 3.49Å | ||
| 61 | K | 87 | Confident | 79.5 | Confident | 216 Ų | 216 | 123.7 Ų | 123.7 | 94% | 0.939 | 64% | 0.64 | S | S | * | * | trans | -84.6 | -7.7 | 176.2 | -64.4 | -179.9 | -179.4 | 175.1 | 0 | 112.8 | ||||
| 62 | S | 84.5 | Confident | 80.5 | Confident | 53 Ų | 53 | 120 Ų | 120 | 37% | 0.371 | 64% | 0.643 | S | S | . | * | trans | -86.1 | 134.2 | -179.8 | 41.5 | 0 | 0 | 0 | 0 | 111 | E60 V64 P65 | E60-S62 VanDerWaalsContact C-N 3.3Å; S62-V64 VanDerWaalsContact C-N 3.32Å; S62-P65 WeakPolarHBondContact O-CD 3.33Å | ||
| 63 | L | 84.5 | Confident | 81.6 | Confident | 104 Ų | 104 | 123 Ų | 123 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -82.3 | -13.2 | 170.4 | -64.7 | 169 | 0 | 0 | 0 | 112.5 | P65 C66 E67 | L63-P65 VanDerWaalsContact C-CD 3.44Å; L63-C66 CarbonylContact O-C 3.59Å; L63-C66 WeakPolarHBondContact O-CA 3.48Å; L63-C66 PolarHBondContact O-N 2.97Å; L63-E67 PolarHBondContact O-N 3.42Å |
| 64 | V | 84.1 | Confident | 82.5 | Confident | 105 Ų | 105 | 119.8 Ų | 119.8 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | -40 | -177.6 | -177.5 | 0 | 0 | 0 | 0 | 114.2 | S62 C66 E67 L69 | S62-V64 VanDerWaalsContact C-N 3.32Å; V64-C66 VanDerWaalsContact C-N 3.3Å; V64-E67 VanDerWaalsContact O-O 3.07Å; V64-L69 HydrophobicContact CG2-CD1 4.49Å |
| 65 | P | 81.7 | Confident | 83.2 | Confident | 83 Ų | 83 | 112.6 Ų | 112.6 | 54% | 0.539 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.8 | -21.2 | 176.1 | -13 | 28.5 | 0 | 0 | 0 | 113.6 | E60 S62 L63 | E60-P65 VanDerWaalsContact OE2-CG 3.31Å; E60-P65 WeakPolarHBondContact OE2-CG 3.49Å; S62-P65 WeakPolarHBondContact O-CD 3.33Å; L63-P65 VanDerWaalsContact C-CD 3.44Å |
| 66 | C | 80.1 | Confident | 83.7 | Confident | 107 Ų | 107 | 112 Ų | 112 | 72% | 0.723 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -34.6 | -174.2 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | L63 V64 | L63-C66 CarbonylContact O-C 3.59Å; L63-C66 WeakPolarHBondContact O-CA 3.48Å; L63-C66 PolarHBondContact O-N 2.97Å; V64-C66 VanDerWaalsContact C-N 3.3Å |
| 67 | E | 78.4 | Confident | 84.1 | Confident | 98 Ų | 98 | 113.4 Ų | 113.4 | 46% | 0.458 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -114.6 | 121.3 | -179.8 | -66.3 | -178.5 | 175.7 | 0 | 0 | 108.5 | L63 V64 L69 | L63-E67 PolarHBondContact O-N 3.42Å; V64-E67 VanDerWaalsContact O-O 3.07Å; E67-L69 HydrophobicContact CB-CD1 4.31Å; E67-L69 HydrophobicContact CB-CD2 4.34Å; E67-L69 HydrophobicContact CB-CG 3.88Å; E67-L69 PolarHBondContact O-N 3.41Å |
| 68 | D | 79.4 | Confident | 84.1 | Confident | 134 Ų | 134 | 108.5 Ų | 108.5 | 72% | 0.717 | 57% | 0.568 | S | S | * | * | trans | -69.1 | 65.8 | 173.5 | -82.1 | -9 | 0 | 0 | 0 | 110.4 | K93 | D68-K93 IonicContact OD2-NZ 3.27Å; D68-K93 PolarHBondContact OD2-NZ 2.95Å | ||
| 69 | L | 82.4 | Confident | 84.2 | Confident | 108 Ų | 108 | 111.6 Ų | 111.6 | 57% | 0.565 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 133.2 | -173.7 | -70.7 | 159.6 | 0 | 0 | 0 | 111.3 | V64 E67 | V64-L69 HydrophobicContact CG2-CD1 4.49Å; E67-L69 HydrophobicContact CB-CD1 4.31Å; E67-L69 HydrophobicContact CB-CD2 4.34Å; E67-L69 HydrophobicContact CB-CG 3.88Å; E67-L69 PolarHBondContact O-N 3.41Å |
| 70 | L | 83.9 | Confident | 84.5 | Confident | 88 Ų | 88 | 105.6 Ų | 105.6 | 46% | 0.461 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -72.2 | 155.3 | 172.2 | -64.5 | 175.1 | 0 | 0 | 0 | 111.5 | G72 N91 D94 | L70-G72 PolarHBondContact O-N 3.06Å; L70-N91 HydrophobicContact CD2-CB 4.05Å; L70-D94 WeakPolarHBondContact CD2-OD2 3.34Å |
| 71 | Y | 86.4 | Confident | 84.7 | Confident | 70 Ų | 70 | 104 Ų | 104 | 28% | 0.275 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 118.1 | 172 | -174.9 | -115.8 | 0 | 0 | 0 | 111 | R73 L86 L90 N91 | Y71-R73 VanDerWaalsContact C-N 3.33Å; Y71-R73 HydrophobicContact CD1-CB 4.22Å; Y71-R73 WeakPolarHBondContact CD1-O 3.4Å; Y71-R73 HydrophobicContact CE1-CB 3.58Å; Y71-R73 HydrophobicContact CE1-CG 4.37Å; Y71-R73 WeakPolarHBondContact CE1-O 3.24Å; Y71-R73 PolarHBondContact O-N 3.47Å; Y71-L86 HydrophobicContact CE1-CB 4.45Å; Y71-L90 HydrophobicContact CD1-CB 4.46Å; Y71-L90 HydrophobicContact CD1-CD2 4.14Å; Y71-L90 HydrophobicContact CD2-CB 4.5Å; Y71-L90 HydrophobicContact CD2-CD2 3.35Å; Y71-L90 HydrophobicContact CE1-CD2 4.25Å; Y71-L90 HydrophobicContact CE2-CD2 3.51Å; Y71-L90 HydrophobicContact CG-CB 4.07Å; Y71-L90 HydrophobicContact CG-CD2 3.69Å; Y71-N91 VanDerWaalsContact CB-OD1 3.25Å; Y71-N91 WeakPolarHBondContact CB-OD1 3.24Å; Y71-N91 PolarHBondContact N-ND2 3.33Å; Y71-N91 PolarHBondContact N-OD1 3.47Å |
| 72 | G | 85.3 | Confident | 84.8 | Confident | 69 Ų | 69 | 100.9 Ų | 100.9 | 71% | 0.711 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -73.1 | -14.8 | -169 | 0 | 0 | 0 | 0 | 0 | 116.1 | L70 M74 | L70-G72 PolarHBondContact O-N 3.06Å; G72-M74 PolarHBondContact O-N 2.86Å |
| 73 | R | 88.1 | Confident | 85 | Confident | 152 Ų | 152 | 98.9 Ų | 98.9 | 57% | 0.574 | 53% | 0.526 | S | S | * | . | trans | -90.1 | 106.9 | 174.6 | -63.8 | -177.5 | 70.9 | -175.7 | 1.3 | 109.1 | Y71 V83 | Y71-R73 VanDerWaalsContact C-N 3.33Å; Y71-R73 HydrophobicContact CD1-CB 4.22Å; Y71-R73 WeakPolarHBondContact CD1-O 3.4Å; Y71-R73 HydrophobicContact CE1-CB 3.58Å; Y71-R73 HydrophobicContact CE1-CG 4.37Å; Y71-R73 WeakPolarHBondContact CE1-O 3.24Å; Y71-R73 PolarHBondContact O-N 3.47Å; R73-V83 HydrophobicContact CB-CG1 4.35Å | ||
| 74 | M | 85.9 | Confident | 85.1 | Confident | 90 Ų | 90 | 96.4 Ų | 96.4 | 44% | 0.443 | 51% | 0.512 | S | S | . | . | trans | -125.3 | 141.6 | 179.9 | 44.2 | -179.8 | 60.5 | 0 | 0 | 110 | G72 F76 M87 | G72-M74 PolarHBondContact O-N 2.86Å; M74-F76 HydrophobicContact CB-CE2 4.17Å; M74-F76 HydrophobicContact CB-CZ 4.07Å; M74-F76 HydrophobicContact CG-CE2 4.07Å; M74-F76 HydrophobicContact CG-CZ 4.19Å; M74-F76 HydrophobicContact SD-CE2 3.89Å; M74-F76 HydrophobicContact SD-CZ 3.69Å; M74-M87 HydrophobicContact CB-SD 3.7Å | ||
| 75 | S | 85.8 | Confident | 85.3 | Confident | 15 Ų | 15 | 98.3 Ų | 98.3 | 11% | 0.105 | 51% | 0.511 | C | S | . | . | trans | -129.7 | 149.2 | 167.5 | 52.3 | 0 | 0 | 0 | 0 | 108.1 | N80 V83 E84 | S75-N80 PolarHBondContact OG-O 3.45Å; S75-V83 WeakPolarHBondContact OG-CB 3.25Å; S75-V83 WeakPolarHBondContact OG-CG1 3.03Å; S75-E84 WeakPolarHBondContact O-CG 3.41Å; S75-E84 WeakPolarHBondContact OG-CG 3.21Å; S75-E84 PolarHBondContact OG-N 3.08Å | ||
| 76 | F | 86 | Confident | 85.6 | Confident | 117 Ų | 117 | 97.6 Ų | 97.6 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | trans | -126.4 | 156.7 | -178 | -58 | -78.5 | 0 | 0 | 0 | 109.1 | M74 G78 F79 E84 M87 | M74-F76 HydrophobicContact CB-CE2 4.17Å; M74-F76 HydrophobicContact CB-CZ 4.07Å; M74-F76 HydrophobicContact CG-CE2 4.07Å; M74-F76 HydrophobicContact CG-CZ 4.19Å; M74-F76 HydrophobicContact SD-CE2 3.89Å; M74-F76 HydrophobicContact SD-CZ 3.69Å; F76-G78 PolarHBondContact O-N 3.36Å; F76-F79 WeakPolarHBondContact O-CD2 3.5Å; F76-F79 PolarHBondContact O-N 3.08Å; F76-E84 VanDerWaalsContact C-OE1 3.28Å; F76-M87 HydrophobicContact CE1-CE 4.31Å | ||
| 77 | K | 87.1 | Confident | 85.9 | Confident | 202 Ų | 202 | 94 Ų | 94 | 88% | 0.878 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 30.8 | 171.3 | -57.4 | -175 | 176.5 | -175.7 | 0 | 114.7 | F79 | K77-F79 HydrophobicContact CB-CD2 4.36Å; K77-F79 HydrophobicContact CB-CE2 4.48Å; K77-F79 PolarHBondContact O-N 3Å |
| 78 | G | 86.2 | Confident | 86.2 | Confident | 43 Ų | 43 | 92.2 Ų | 92.2 | 44% | 0.443 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 16.9 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | F76 N80 E84 | F76-G78 PolarHBondContact O-N 3.36Å; G78-N80 PolarHBondContact O-N 3.35Å; G78-E84 VanDerWaalsContact CA-OE1 3.24Å; G78-E84 WeakPolarHBondContact CA-OE1 3.47Å; G78-E84 PolarHBondContact N-OE1 3.46Å |
| 79 | F | 84.8 | Confident | 86.6 | Confident | 183 Ų | 183 | 91.7 Ų | 91.7 | 80% | 0.803 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -65.1 | -30.4 | 176.7 | -86.8 | -102.5 | 0 | 0 | 0 | 112.3 | F76 K77 | F76-F79 WeakPolarHBondContact O-CD2 3.5Å; F76-F79 PolarHBondContact O-N 3.08Å; K77-F79 HydrophobicContact CB-CD2 4.36Å; K77-F79 HydrophobicContact CB-CE2 4.48Å; K77-F79 PolarHBondContact O-N 3Å |
| 80 | N | 89.3 | Confident | 86.8 | Confident | 60 Ų | 60 | 90.7 Ų | 90.7 | 32% | 0.321 | 46% | 0.463 | S | S | . | . | trans | -150.7 | 97.6 | 170.9 | -171.7 | -19.7 | 0 | 0 | 0 | 110.8 | S75 G78 E82 V83 E84 | S75-N80 PolarHBondContact OG-O 3.45Å; G78-N80 PolarHBondContact O-N 3.35Å; N80-E82 PolarHBondContact O-N 2.82Å; N80-E82 VanDerWaalsContact O-N 3.16Å; N80-E82 WeakPolarHBondContact OD1-CB 3.34Å; N80-E82 PolarHBondContact OD1-N 3.22Å; N80-E82 VanDerWaalsContact OD1-N 3.07Å; N80-V83 HydrophobicContact CB-CB 4.09Å; N80-V83 HydrophobicContact CB-CG2 4.2Å; N80-V83 VanDerWaalsContact ND2-CG2 3.34Å; N80-V83 WeakPolarHBondContact ND2-CG2 3.09Å; N80-V83 PolarHBondContact O-N 3.02Å; N80-V83 VanDerWaalsContact O-N 3.08Å; N80-V83 PolarHBondContact OD1-N 3.39Å; N80-E84 PolarHBondContact O-N 3.45Å | ||
| 81 | P | 88.7 | Confident | 86.8 | Confident | 88 Ų | 88 | 87 Ų | 87 | 57% | 0.571 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.3 | -26.4 | -179.2 | -25.6 | 34.8 | 0 | 0 | 0 | 114.5 | K85 | P81-K85 WeakPolarHBondContact O-CB 3.49Å; P81-K85 PolarHBondContact O-N 3.29Å; P81-K85 VanDerWaalsContact O-N 3.11Å |
| 82 | E | 88.2 | Confident | 86.1 | Confident | 149 Ų | 149 | 88 Ų | 88 | 70% | 0.696 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -72.2 | -37.8 | 177.1 | -61.9 | -173 | 162.8 | 0 | 0 | 111.5 | N80 L86 | N80-E82 PolarHBondContact O-N 2.82Å; N80-E82 VanDerWaalsContact O-N 3.16Å; N80-E82 WeakPolarHBondContact OD1-CB 3.34Å; N80-E82 PolarHBondContact OD1-N 3.22Å; N80-E82 VanDerWaalsContact OD1-N 3.07Å; E82-L86 WeakPolarHBondContact O-CD1 3.32Å; E82-L86 WeakPolarHBondContact O-CG 3.34Å; E82-L86 PolarHBondContact O-N 3.17Å |
| 83 | V | 89.3 | Confident | 85.2 | Confident | 11 Ų | 11 | 91 Ų | 91 | 7% | 0.067 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -75.4 | -37.2 | 178.5 | 173.8 | 0 | 0 | 0 | 0 | 111 | R73 S75 N80 K85 L86 M87 | R73-V83 HydrophobicContact CB-CG1 4.35Å; S75-V83 WeakPolarHBondContact OG-CB 3.25Å; S75-V83 WeakPolarHBondContact OG-CG1 3.03Å; N80-V83 HydrophobicContact CB-CB 4.09Å; N80-V83 HydrophobicContact CB-CG2 4.2Å; N80-V83 VanDerWaalsContact ND2-CG2 3.34Å; N80-V83 WeakPolarHBondContact ND2-CG2 3.09Å; N80-V83 PolarHBondContact O-N 3.02Å; N80-V83 VanDerWaalsContact O-N 3.08Å; N80-V83 PolarHBondContact OD1-N 3.39Å; V83-K85 VanDerWaalsContact C-N 3.34Å; V83-K85 PolarHBondContact O-N 2.9Å; V83-L86 PolarHBondContact O-N 2.78Å; V83-M87 WeakPolarHBondContact O-CB 3.48Å; V83-M87 PolarHBondContact O-N 3.1Å |
| 84 | E | 86.8 | Confident | 83.8 | Confident | 53 Ų | 53 | 85.9 Ų | 85.9 | 25% | 0.248 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 170.4 | -87.5 | 158 | -148.3 | 0 | 0 | 111.6 | S75 F76 G78 N80 L86 M87 V88 | S75-E84 WeakPolarHBondContact O-CG 3.41Å; S75-E84 WeakPolarHBondContact OG-CG 3.21Å; S75-E84 PolarHBondContact OG-N 3.08Å; F76-E84 VanDerWaalsContact C-OE1 3.28Å; G78-E84 VanDerWaalsContact CA-OE1 3.24Å; G78-E84 WeakPolarHBondContact CA-OE1 3.47Å; G78-E84 PolarHBondContact N-OE1 3.46Å; N80-E84 PolarHBondContact O-N 3.45Å; E84-L86 VanDerWaalsContact C-N 3.34Å; E84-L86 PolarHBondContact O-N 2.73Å; E84-M87 WeakPolarHBondContact O-CB 3.42Å; E84-M87 PolarHBondContact O-N 2.8Å; E84-V88 WeakPolarHBondContact O-CG2 3.48Å; E84-V88 PolarHBondContact O-N 3.46Å |
| 85 | K | 88.3 | Confident | 82.4 | Confident | 145 Ų | 145 | 85.4 Ų | 85.4 | 63% | 0.63 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.3 | -39.4 | 175.3 | -173.3 | 178.4 | -66.7 | 179.5 | 0 | 112.6 | P81 V83 L89 | P81-K85 WeakPolarHBondContact O-CB 3.49Å; P81-K85 PolarHBondContact O-N 3.29Å; P81-K85 VanDerWaalsContact O-N 3.11Å; V83-K85 VanDerWaalsContact C-N 3.34Å; V83-K85 PolarHBondContact O-N 2.9Å; K85-L89 HydrophobicContact CG-CD1 4.29Å; K85-L89 VanDerWaalsContact O-CG 3.3Å; K85-L89 WeakPolarHBondContact O-CG 3.49Å; K85-L89 PolarHBondContact O-N 3.44Å; K85-L89 VanDerWaalsContact O-N 3.08Å |
| 86 | L | 87.7 | Confident | 80.9 | Confident | 68 Ų | 68 | 93.4 Ų | 93.4 | 36% | 0.356 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 175.4 | -79.1 | 162.3 | 0 | 0 | 0 | 111.7 | Y71 E82 V83 E84 L89 L90 | Y71-L86 HydrophobicContact CE1-CB 4.45Å; E82-L86 WeakPolarHBondContact O-CD1 3.32Å; E82-L86 WeakPolarHBondContact O-CG 3.34Å; E82-L86 PolarHBondContact O-N 3.17Å; V83-L86 PolarHBondContact O-N 2.78Å; E84-L86 VanDerWaalsContact C-N 3.34Å; E84-L86 PolarHBondContact O-N 2.73Å; L86-L89 PolarHBondContact O-N 3.03Å; L86-L90 HydrophobicContact CD2-CD1 4.39Å; L86-L90 WeakPolarHBondContact O-CB 2.99Å; L86-L90 WeakPolarHBondContact O-CD1 3.48Å; L86-L90 PolarHBondContact O-N 3.47Å |
| 87 | M | 86.6 | Confident | 79.3 | Confident | 30 Ų | 30 | 94.8 Ų | 94.8 | 15% | 0.148 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 176.3 | 175.7 | 177.4 | 169.2 | 0 | 0 | 110.7 | M74 F76 V83 E84 L89 L90 N91 | M74-M87 HydrophobicContact CB-SD 3.7Å; F76-M87 HydrophobicContact CE1-CE 4.31Å; V83-M87 WeakPolarHBondContact O-CB 3.48Å; V83-M87 PolarHBondContact O-N 3.1Å; E84-M87 WeakPolarHBondContact O-CB 3.42Å; E84-M87 PolarHBondContact O-N 2.8Å; M87-L89 PolarHBondContact O-N 3.01Å; M87-L90 PolarHBondContact O-N 2.74Å; M87-N91 VanDerWaalsContact O-CB 3.29Å; M87-N91 WeakPolarHBondContact O-CB 3.45Å; M87-N91 PolarHBondContact O-N 3.42Å |
| 88 | V | 85.2 | Confident | 77.6 | Confident | 62 Ų | 62 | 91.6 Ų | 91.6 | 38% | 0.376 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.3 | -48.9 | 175.4 | 159.4 | 0 | 0 | 0 | 0 | 112.3 | E84 L90 E95 | E84-V88 WeakPolarHBondContact O-CG2 3.48Å; E84-V88 PolarHBondContact O-N 3.46Å; V88-L90 VanDerWaalsContact C-N 3.34Å; V88-L90 PolarHBondContact O-N 3.02Å; V88-E95 WeakPolarHBondContact CG1-OE1 3.31Å; V88-E95 VanDerWaalsContact CG2-OE1 3.31Å; V88-E95 WeakPolarHBondContact CG2-OE1 3.47Å |
| 89 | L | 86.5 | Confident | 76 | Confident | 123 Ų | 123 | 96.1 Ų | 96.1 | 64% | 0.644 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67 | -34.4 | -177 | -72.4 | 173.4 | 0 | 0 | 0 | 113.2 | K85 L86 M87 | K85-L89 HydrophobicContact CG-CD1 4.29Å; K85-L89 VanDerWaalsContact O-CG 3.3Å; K85-L89 WeakPolarHBondContact O-CG 3.49Å; K85-L89 PolarHBondContact O-N 3.44Å; K85-L89 VanDerWaalsContact O-N 3.08Å; L86-L89 PolarHBondContact O-N 3.03Å; M87-L89 PolarHBondContact O-N 3.01Å |
| 90 | L | 86.1 | Confident | 74.2 | Confident | 87 Ų | 87 | 89.7 Ų | 89.7 | 46% | 0.455 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -92.6 | -22 | -175.3 | -84.8 | 69.8 | 0 | 0 | 0 | 112.9 | Y71 L86 M87 V88 P92 | Y71-L90 HydrophobicContact CD1-CB 4.46Å; Y71-L90 HydrophobicContact CD1-CD2 4.14Å; Y71-L90 HydrophobicContact CD2-CB 4.5Å; Y71-L90 HydrophobicContact CD2-CD2 3.35Å; Y71-L90 HydrophobicContact CE1-CD2 4.25Å; Y71-L90 HydrophobicContact CE2-CD2 3.51Å; Y71-L90 HydrophobicContact CG-CB 4.07Å; Y71-L90 HydrophobicContact CG-CD2 3.69Å; L86-L90 HydrophobicContact CD2-CD1 4.39Å; L86-L90 WeakPolarHBondContact O-CB 2.99Å; L86-L90 WeakPolarHBondContact O-CD1 3.48Å; L86-L90 PolarHBondContact O-N 3.47Å; M87-L90 PolarHBondContact O-N 2.74Å; V88-L90 VanDerWaalsContact C-N 3.34Å; V88-L90 PolarHBondContact O-N 3.02Å; L90-P92 VanDerWaalsContact C-CD 3.41Å; L90-P92 VanDerWaalsContact O-CD 3.24Å; L90-P92 WeakPolarHBondContact O-CD 3.41Å |
| 91 | N | 84 | Confident | 72.3 | Confident | 10 Ų | 10 | 94.1 Ų | 94.1 | 5% | 0.053 | 48% | 0.475 | C | S | . | . | trans | -117.1 | 69.7 | 179 | -60.4 | -20.7 | 0 | 0 | 0 | 111.6 | L70 Y71 M87 K93 D94 | L70-N91 HydrophobicContact CD2-CB 4.05Å; Y71-N91 VanDerWaalsContact CB-OD1 3.25Å; Y71-N91 WeakPolarHBondContact CB-OD1 3.24Å; Y71-N91 PolarHBondContact N-ND2 3.33Å; Y71-N91 PolarHBondContact N-OD1 3.47Å; M87-N91 VanDerWaalsContact O-CB 3.29Å; M87-N91 WeakPolarHBondContact O-CB 3.45Å; M87-N91 PolarHBondContact O-N 3.42Å; N91-K93 PolarHBondContact O-N 3.21Å; N91-D94 PolarHBondContact O-N 3.2Å | ||
| 92 | P | 73.1 | Confident | 70.3 | Confident | 92 Ų | 92 | 96.4 Ų | 96.4 | 60% | 0.597 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -5.1 | -174.8 | 30.3 | -37.7 | 0 | 0 | 0 | 114.6 | L90 | L90-P92 VanDerWaalsContact C-CD 3.41Å; L90-P92 VanDerWaalsContact O-CD 3.24Å; L90-P92 WeakPolarHBondContact O-CD 3.41Å |
| 93 | K | 65.2 | Low | 68.5 | Low | 130 Ų | 130 | 94.9 Ų | 94.9 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -30.1 | -178.4 | -66.7 | -176.1 | -176.7 | 174.9 | 0 | 112.3 | D68 N91 | D68-K93 IonicContact OD2-NZ 3.27Å; D68-K93 PolarHBondContact OD2-NZ 2.95Å; N91-K93 PolarHBondContact O-N 3.21Å |
| 94 | D | 58.8 | Low | 66.6 | Low | 46 Ų | 46 | 99.1 Ų | 99.1 | 25% | 0.246 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -26.9 | -170 | -59.7 | -24.8 | 0 | 0 | 0 | 113 | L70 N91 K96 E97 E98 | L70-D94 WeakPolarHBondContact CD2-OD2 3.34Å; N91-D94 PolarHBondContact O-N 3.2Å; D94-K96 PolarHBondContact O-N 3.41Å; D94-E97 PolarHBondContact O-N 3.46Å; D94-E97 VanDerWaalsContact O-N 3.13Å; D94-E98 PolarHBondContact O-N 3.35Å |
| 95 | E | 56.5 | Low | 64.7 | Low | 80 Ų | 80 | 100.6 Ų | 100.6 | 37% | 0.374 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -27.8 | -179 | -65.3 | -159.9 | 137.3 | 0 | 0 | 113.5 | V88 E97 E99 | V88-E95 WeakPolarHBondContact CG1-OE1 3.31Å; V88-E95 VanDerWaalsContact CG2-OE1 3.31Å; V88-E95 WeakPolarHBondContact CG2-OE1 3.47Å; E95-E97 VanDerWaalsContact C-N 3.27Å; E95-E97 PolarHBondContact O-N 3.1Å; E95-E99 WeakPolarHBondContact O-CB 3.41Å; E95-E99 PolarHBondContact O-N 3.2Å |
| 96 | K | 53.7 | Low | 63.1 | Low | 182 Ų | 182 | 100.9 Ų | 100.9 | 79% | 0.791 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.7 | -23.1 | 178.9 | -70.3 | -176.8 | -177.4 | 175.2 | 0 | 113.2 | D94 | D94-K96 PolarHBondContact O-N 3.41Å |
| 97 | E | 52.4 | Low | 61.5 | Low | 147 Ų | 147 | 106 Ų | 106 | 69% | 0.687 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -92.5 | -42.2 | -179.5 | -66.6 | -176.3 | 178.8 | 0 | 0 | 110.5 | D94 E95 | D94-E97 PolarHBondContact O-N 3.46Å; D94-E97 VanDerWaalsContact O-N 3.13Å; E95-E97 VanDerWaalsContact C-N 3.27Å; E95-E97 PolarHBondContact O-N 3.1Å |
| 98 | E | 53.3 | Low | 60.6 | Low | 135 Ų | 135 | 109.6 Ų | 109.6 | 63% | 0.631 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -74 | -38.3 | -179.5 | -75.9 | -165.7 | 160.5 | 0 | 0 | 114.1 | D94 G100 E101 | D94-E98 PolarHBondContact O-N 3.35Å; E98-G100 PolarHBondContact O-N 3.19Å; E98-E101 PolarHBondContact O-N 3Å |
| 99 | E | 52.3 | Low | 60 | Low | 138 Ų | 138 | 114.2 Ų | 114.2 | 65% | 0.645 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.1 | -20.7 | 178 | -70.9 | -169 | 159 | 0 | 0 | 113 | E95 V103 | E95-E99 WeakPolarHBondContact O-CB 3.41Å; E95-E99 PolarHBondContact O-N 3.2Å; E99-V103 WeakPolarHBondContact O-CG2 3.36Å |
| 100 | G | 45.3 | Very low | 59.5 | Low | 47 Ų | 47 | 110.7 Ų | 110.7 | 49% | 0.485 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -78.4 | -28.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E98 S104 | E98-G100 PolarHBondContact O-N 3.19Å; G100-S104 VanDerWaalsContact O-CB 3.25Å; G100-S104 WeakPolarHBondContact O-CB 3.31Å |
| 101 | E | 49.5 | Very low | 59.4 | Low | 153 Ų | 153 | 110.8 Ų | 110.8 | 72% | 0.715 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -87.7 | -40.8 | -174.2 | -69.8 | -169.9 | 163.4 | 0 | 0 | 112.6 | E98 | E98-E101 PolarHBondContact O-N 3Å |
| 102 | D | 47.5 | Very low | 59.4 | Low | 137 Ų | 137 | 116.5 Ų | 116.5 | 73% | 0.733 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -79.3 | -25.8 | -174.2 | -89.7 | -19.6 | 0 | 0 | 0 | 114.1 | ||
| 103 | V | 49.9 | Very low | 59.8 | Low | 116 Ų | 116 | 119.3 Ų | 119.3 | 70% | 0.703 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -21.5 | -178.7 | -166.7 | 0 | 0 | 0 | 0 | 112.4 | E99 | E99-V103 WeakPolarHBondContact O-CG2 3.36Š|
| 104 | S | 49.4 | Very low | 60.6 | Low | 101 Ų | 101 | 117 Ų | 117 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -25.2 | -173.4 | 179.1 | 0 | 0 | 0 | 0 | 113.9 | G100 | G100-S104 VanDerWaalsContact O-CB 3.25Å; G100-S104 WeakPolarHBondContact O-CB 3.31Å |
| 105 | C | 48.1 | Very low | 61.9 | Low | 83 Ų | 83 | 118.8 Ų | 118.8 | 56% | 0.561 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | 40.5 | -174.3 | 84.9 | 0 | 0 | 0 | 0 | 114.7 | Q107 | C105-Q107 VanDerWaalsContact C-N 3.25Å; C105-Q107 PolarHBondContact O-N 2.81Å |
| 106 | M | 53.5 | Low | 63.2 | Low | 152 Ų | 152 | 117.8 Ų | 117.8 | 75% | 0.749 | 63% | 0.631 | S | S | * | * | trans | -62.6 | 98.7 | 155.9 | -73 | -76.3 | 157.8 | 0 | 0 | 106.8 | T108 | M106-T108 VanDerWaalsContact C-N 3.25Å; M106-T108 PolarHBondContact O-N 2.92Å | ||
| 107 | Q | 55.3 | Low | 64.6 | Low | 175 Ų | 175 | 114.7 Ų | 114.7 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | trans | -64 | 90.6 | 177.2 | -68.1 | -176.2 | 15.1 | 0 | 0 | 107.9 | C105 D109 | C105-Q107 VanDerWaalsContact C-N 3.25Å; C105-Q107 PolarHBondContact O-N 2.81Å; Q107-D109 PolarHBondContact O-N 3.43Å | ||
| 108 | T | 66.9 | Low | 66 | Low | 106 Ų | 106 | 115.1 Ų | 115.1 | 65% | 0.65 | 62% | 0.617 | S | S | * | * | trans | -75.8 | 113.5 | 170.6 | 51 | 0 | 0 | 0 | 0 | 107.1 | M106 V110 | M106-T108 VanDerWaalsContact C-N 3.25Å; M106-T108 PolarHBondContact O-N 2.92Å; T108-V110 PolarHBondContact O-N 3.08Å | ||
| 109 | D | 72.4 | Confident | 67.4 | Low | 159 Ų | 159 | 115.5 Ų | 115.5 | 85% | 0.85 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -58.9 | -11.5 | 178.1 | -67.7 | -37.5 | 0 | 0 | 0 | 113.7 | Q107 | Q107-D109 PolarHBondContact O-N 3.43Š|
| 110 | V | 76.9 | Confident | 68.7 | Low | 49 Ų | 49 | 115.9 Ų | 115.9 | 30% | 0.297 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -133.4 | 125.9 | -178.2 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | T108 E114 M115 | T108-V110 PolarHBondContact O-N 3.08Å; V110-E114 HydrophobicContact CG1-CB 3.96Å; V110-E114 HydrophobicContact CG1-CG 4.29Å; V110-M115 HydrophobicContact CG1-CB 4.32Å |
| 111 | T | 84.3 | Confident | 70.3 | Confident | 88 Ų | 88 | 117.6 Ų | 117.6 | 54% | 0.54 | 62% | 0.621 | S | S | . | * | trans | -72.8 | 145.8 | 173.2 | -46.1 | 0 | 0 | 0 | 0 | 110.5 | E113 E114 M115 | T111-E113 HydrophobicContact CG2-CB 4.48Å; T111-E113 HydrophobicContact CG2-CG 4.49Å; T111-E113 PolarHBondContact O-N 2.99Å; T111-E113 VanDerWaalsContact O-N 3.1Å; T111-E114 PolarHBondContact O-N 3.28Å; T111-M115 PolarHBondContact O-N 3.04Å | ||
| 112 | D | 82.4 | Confident | 71.6 | Confident | 130 Ų | 130 | 114.8 Ų | 114.8 | 70% | 0.695 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -53.2 | -34 | 179.7 | -72.5 | -14.8 | 0 | 0 | 0 | 113.2 | M115 A116 | D112-M115 PolarHBondContact O-N 2.88Å; D112-A116 WeakPolarHBondContact O-CB 3.24Å; D112-A116 PolarHBondContact O-N 3.31Å |
| 113 | E | 82.1 | Confident | 73 | Confident | 152 Ų | 152 | 112.2 Ų | 112.2 | 71% | 0.71 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.6 | -43.9 | 174.8 | -61.1 | -177.2 | 175.2 | 0 | 0 | 112.2 | T111 A116 L117 | T111-E113 HydrophobicContact CG2-CB 4.48Å; T111-E113 HydrophobicContact CG2-CG 4.49Å; T111-E113 PolarHBondContact O-N 2.99Å; T111-E113 VanDerWaalsContact O-N 3.1Å; E113-A116 PolarHBondContact O-N 3.47Å; E113-L117 WeakPolarHBondContact O-CG 3.44Å; E113-L117 PolarHBondContact O-N 3.42Å; E113-L117 VanDerWaalsContact O-N 3.16Å |
| 114 | E | 81.8 | Confident | 74.1 | Confident | 80 Ų | 80 | 108.6 Ų | 108.6 | 37% | 0.374 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.5 | -36.2 | 177.8 | -168.2 | -178.7 | 169.2 | 0 | 0 | 111.1 | V110 T111 L117 R118 | V110-E114 HydrophobicContact CG1-CB 3.96Å; V110-E114 HydrophobicContact CG1-CG 4.29Å; T111-E114 PolarHBondContact O-N 3.28Å; E114-L117 PolarHBondContact O-N 2.88Å; E114-R118 WeakPolarHBondContact O-CG 3.36Å; E114-R118 PolarHBondContact O-N 3.44Å; E114-R118 VanDerWaalsContact O-N 3.11Å; E114-R118 IonicContact OE1-CZ 2.91Å; E114-R118 IonicContact OE1-NE 2.69Å; E114-R118 PolarHBondContact OE1-NE 3.14Å; E114-R118 IonicContact OE1-NH2 3.36Å; E114-R118 PolarHBondContact OE1-NH2 3.26Å |
| 115 | M | 86.2 | Confident | 75.4 | Confident | 85 Ų | 85 | 107.2 Ų | 107.2 | 42% | 0.419 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.3 | -46.7 | 173 | -173.2 | 176.3 | -59.1 | 0 | 0 | 110.9 | V110 T111 D112 L117 R118 Y119 | V110-M115 HydrophobicContact CG1-CB 4.32Å; T111-M115 PolarHBondContact O-N 3.04Å; D112-M115 PolarHBondContact O-N 2.88Å; M115-L117 PolarHBondContact O-N 2.88Å; M115-R118 PolarHBondContact O-N 2.84Å; M115-Y119 HydrophobicContact CG-CD2 3.68Å; M115-Y119 HydrophobicContact CG-CE2 3.73Å; M115-Y119 WeakPolarHBondContact O-CD2 3.32Å; M115-Y119 PolarHBondContact O-N 3.04Å; M115-Y119 HydrophobicContact SD-CE2 4.1Å |
| 116 | A | 84.6 | Confident | 76.6 | Confident | 59 Ų | 59 | 107.3 Ų | 107.3 | 49% | 0.488 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.1 | -46.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D112 E113 R118 Y119 E120 | D112-A116 WeakPolarHBondContact O-CB 3.24Å; D112-A116 PolarHBondContact O-N 3.31Å; E113-A116 PolarHBondContact O-N 3.47Å; A116-R118 VanDerWaalsContact C-N 3.35Å; A116-R118 PolarHBondContact O-N 2.93Å; A116-Y119 PolarHBondContact O-N 3.04Å; A116-E120 PolarHBondContact O-N 3.38Å |
| 117 | L | 82.6 | Confident | 77.7 | Confident | 116 Ų | 116 | 106.2 Ų | 106.2 | 61% | 0.607 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.9 | -40.6 | 178.3 | -69.5 | 170.7 | 0 | 0 | 0 | 112.3 | E113 E114 M115 S121 | E113-L117 WeakPolarHBondContact O-CG 3.44Å; E113-L117 PolarHBondContact O-N 3.42Å; E113-L117 VanDerWaalsContact O-N 3.16Å; E114-L117 PolarHBondContact O-N 2.88Å; M115-L117 PolarHBondContact O-N 2.88Å; L117-S121 PolarHBondContact O-N 2.78Å |
| 118 | R | 80.7 | Confident | 78.6 | Confident | 156 Ų | 156 | 101.9 Ų | 101.9 | 59% | 0.589 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.1 | -38.3 | 176.2 | -70.7 | -177.5 | -175.4 | -149.6 | 7 | 111.9 | E114 M115 A116 L122 | E114-R118 WeakPolarHBondContact O-CG 3.36Å; E114-R118 PolarHBondContact O-N 3.44Å; E114-R118 VanDerWaalsContact O-N 3.11Å; E114-R118 IonicContact OE1-CZ 2.91Å; E114-R118 IonicContact OE1-NE 2.69Å; E114-R118 PolarHBondContact OE1-NE 3.14Å; E114-R118 IonicContact OE1-NH2 3.36Å; E114-R118 PolarHBondContact OE1-NH2 3.26Å; M115-R118 PolarHBondContact O-N 2.84Å; A116-R118 VanDerWaalsContact C-N 3.35Å; A116-R118 PolarHBondContact O-N 2.93Å; R118-L122 WeakPolarHBondContact O-CB 3.47Å; R118-L122 PolarHBondContact O-N 3.43Å |
| 119 | Y | 83 | Confident | 79 | Confident | 144 Ų | 144 | 104 Ų | 104 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65 | -42.2 | 176 | -97.6 | -80.8 | 0 | 0 | 0 | 112.3 | M115 A116 S121 L122 V123 | M115-Y119 HydrophobicContact CG-CD2 3.68Å; M115-Y119 HydrophobicContact CG-CE2 3.73Å; M115-Y119 WeakPolarHBondContact O-CD2 3.32Å; M115-Y119 PolarHBondContact O-N 3.04Å; M115-Y119 HydrophobicContact SD-CE2 4.1Å; A116-Y119 PolarHBondContact O-N 3.04Å; Y119-S121 PolarHBondContact O-N 2.75Å; Y119-L122 PolarHBondContact O-N 2.97Å; Y119-V123 HydrophobicContact CD1-CG2 4.37Å; Y119-V123 VanDerWaalsContact O-CB 3.31Å; Y119-V123 WeakPolarHBondContact O-CB 3.19Å; Y119-V123 WeakPolarHBondContact O-CG2 3.25Å; Y119-V123 PolarHBondContact O-N 3.45Å |
| 120 | E | 80.4 | Confident | 79.4 | Confident | 145 Ų | 145 | 104.6 Ų | 104.6 | 68% | 0.678 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.6 | -48.5 | 178.3 | -173.6 | 177.5 | -173.5 | 0 | 0 | 111.7 | A116 G124 | A116-E120 PolarHBondContact O-N 3.38Å; E120-G124 PolarHBondContact O-N 3.37Å; E120-G124 VanDerWaalsContact O-N 3.07Å |
| 121 | S | 78.3 | Confident | 79.5 | Confident | 84 Ų | 84 | 102.9 Ų | 102.9 | 59% | 0.587 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63 | -44.3 | 177.4 | -178.2 | 0 | 0 | 0 | 0 | 112.8 | L117 Y119 T125 | L117-S121 PolarHBondContact O-N 2.78Å; Y119-S121 PolarHBondContact O-N 2.75Å; S121-T125 WeakPolarHBondContact O-CG2 3.41Å; S121-T125 PolarHBondContact O-N 3.39Å; S121-T125 PolarHBondContact O-OG1 3.28Å |
| 122 | L | 77.4 | Confident | 79.2 | Confident | 94 Ų | 94 | 106.5 Ų | 106.5 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.3 | -43.3 | -178.5 | -173.9 | 61.8 | 0 | 0 | 0 | 112 | R118 Y119 G124 T125 M126 | R118-L122 WeakPolarHBondContact O-CB 3.47Å; R118-L122 PolarHBondContact O-N 3.43Å; Y119-L122 PolarHBondContact O-N 2.97Å; L122-G124 PolarHBondContact O-N 2.85Å; L122-T125 PolarHBondContact O-N 2.81Å; L122-T125 PolarHBondContact O-OG1 3.38Å; L122-M126 HydrophobicContact CD1-CG 4.3Å; L122-M126 HydrophobicContact CD1-SD 4.06Å; L122-M126 HydrophobicContact CD2-SD 4.38Å; L122-M126 HydrophobicContact CG-CG 4.43Å; L122-M126 HydrophobicContact CG-SD 3.84Å; L122-M126 WeakPolarHBondContact O-CB 3.38Å; L122-M126 VanDerWaalsContact O-CG 3.27Å; L122-M126 WeakPolarHBondContact O-CG 3.18Å; L122-M126 PolarHBondContact O-N 3.38Å |
| 123 | V | 77.6 | Confident | 78.8 | Confident | 82 Ų | 82 | 109.9 Ų | 109.9 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67 | -38.1 | 179.8 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | Y119 T125 M126 K127 | Y119-V123 HydrophobicContact CD1-CG2 4.37Å; Y119-V123 VanDerWaalsContact O-CB 3.31Å; Y119-V123 WeakPolarHBondContact O-CB 3.19Å; Y119-V123 WeakPolarHBondContact O-CG2 3.25Å; Y119-V123 PolarHBondContact O-N 3.45Å; V123-T125 PolarHBondContact O-N 3.09Å; V123-M126 PolarHBondContact O-N 3.42Å; V123-K127 WeakPolarHBondContact O-CB 3.46Å; V123-K127 PolarHBondContact O-N 3.06Å |
| 124 | G | 73.1 | Confident | 78.4 | Confident | 40 Ų | 40 | 113.9 Ų | 113.9 | 41% | 0.412 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E120 L122 | E120-G124 PolarHBondContact O-N 3.37Å; E120-G124 VanDerWaalsContact O-N 3.07Å; L122-G124 PolarHBondContact O-N 2.85Å |
| 125 | T | 75.7 | Confident | 77.8 | Confident | 72 Ų | 72 | 115.4 Ų | 115.4 | 44% | 0.442 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -76 | -33.6 | 179.5 | 61.1 | 0 | 0 | 0 | 0 | 113.3 | S121 L122 V123 | S121-T125 WeakPolarHBondContact O-CG2 3.41Å; S121-T125 PolarHBondContact O-N 3.39Å; S121-T125 PolarHBondContact O-OG1 3.28Å; L122-T125 PolarHBondContact O-N 2.81Å; L122-T125 PolarHBondContact O-OG1 3.38Å; V123-T125 PolarHBondContact O-N 3.09Å |
| 126 | M | 74.2 | Confident | 76.8 | Confident | 86 Ų | 86 | 117.8 Ų | 117.8 | 42% | 0.424 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.8 | -37.9 | 177.2 | -72.1 | -178 | 66.6 | 0 | 0 | 112.1 | L122 V123 K128 K129 F130 | L122-M126 HydrophobicContact CD1-CG 4.3Å; L122-M126 HydrophobicContact CD1-SD 4.06Å; L122-M126 HydrophobicContact CD2-SD 4.38Å; L122-M126 HydrophobicContact CG-CG 4.43Å; L122-M126 HydrophobicContact CG-SD 3.84Å; L122-M126 WeakPolarHBondContact O-CB 3.38Å; L122-M126 VanDerWaalsContact O-CG 3.27Å; L122-M126 WeakPolarHBondContact O-CG 3.18Å; L122-M126 PolarHBondContact O-N 3.38Å; V123-M126 PolarHBondContact O-N 3.42Å; M126-K128 VanDerWaalsContact C-N 3.29Å; M126-K128 PolarHBondContact O-N 3.29Å; M126-K129 PolarHBondContact O-N 3.14Å; M126-F130 HydrophobicContact CE-CE2 4.41Å; M126-F130 VanDerWaalsContact O-CD2 3.25Å; M126-F130 WeakPolarHBondContact O-CD2 3.25Å; M126-F130 PolarHBondContact O-N 3.34Å |
| 127 | K | 75.2 | Confident | 75.9 | Confident | 129 Ų | 129 | 118.7 Ų | 118.7 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -57.6 | -40 | 176.3 | -170.8 | 173.9 | 177.8 | -174.1 | 0 | 112.2 | V123 K129 F130 A131 M139 | V123-K127 WeakPolarHBondContact O-CB 3.46Å; V123-K127 PolarHBondContact O-N 3.06Å; K127-K129 VanDerWaalsContact C-N 3.31Å; K127-K129 PolarHBondContact O-N 3.41Å; K127-F130 PolarHBondContact O-N 2.8Å; K127-A131 WeakPolarHBondContact O-CB 3.39Å; K127-A131 PolarHBondContact O-N 3Å; K127-A131 VanDerWaalsContact O-N 3.11Å; K127-M139 HydrophobicContact CD-CE 3.79Å; K127-M139 HydrophobicContact CG-CE 4.19Å |
| 128 | K | 73.9 | Confident | 75.1 | Confident | 83 Ų | 83 | 116.4 Ų | 116.4 | 36% | 0.361 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.3 | -30.5 | 176.7 | -67.8 | -175.6 | -177.1 | -176.9 | 0 | 112.9 | M126 D143 | M126-K128 VanDerWaalsContact C-N 3.29Å; M126-K128 PolarHBondContact O-N 3.29Å; K128-D143 IonicContact NZ-OD2 2.84Å; K128-D143 PolarHBondContact NZ-OD2 3.42Å |
| 129 | K | 76.8 | Confident | 74.3 | Confident | 152 Ų | 152 | 111.7 Ų | 111.7 | 66% | 0.661 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -73.9 | -35.2 | -179.6 | -66.2 | -176.7 | -178.1 | -178.3 | 0 | 113 | M126 K127 R136 | M126-K129 PolarHBondContact O-N 3.14Å; K127-K129 VanDerWaalsContact C-N 3.31Å; K127-K129 PolarHBondContact O-N 3.41Å; K129-R136 PolarHBondContact O-NH2 2.96Å |
| 130 | F | 80.1 | Confident | 73.2 | Confident | 171 Ų | 171 | 110.6 Ų | 110.6 | 75% | 0.75 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -97.3 | -6 | -178.3 | -61.1 | -74.8 | 0 | 0 | 0 | 114.3 | M126 K127 | M126-F130 HydrophobicContact CE-CE2 4.41Å; M126-F130 VanDerWaalsContact O-CD2 3.25Å; M126-F130 WeakPolarHBondContact O-CD2 3.25Å; M126-F130 PolarHBondContact O-N 3.34Å; K127-F130 PolarHBondContact O-N 2.8Å |
| 131 | A | 78.4 | Confident | 72 | Confident | 13 Ų | 13 | 111 Ų | 111 | 11% | 0.107 | 56% | 0.555 | C | S | . | * | S | Bend | trans | -66.3 | 137.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K127 E135 R136 | K127-A131 WeakPolarHBondContact O-CB 3.39Å; K127-A131 PolarHBondContact O-N 3Å; K127-A131 VanDerWaalsContact O-N 3.11Å; A131-E135 HydrophobicContact CB-CB 4.49Å; A131-R136 HydrophobicContact CB-CG 4.12Å; A131-R136 PolarHBondContact O-NE 3.5Å |
| 132 | K | 79.3 | Confident | 70.8 | Confident | 164 Ų | 164 | 114 Ų | 114 | 71% | 0.713 | 57% | 0.565 | S | S | * | * | trans | -68 | 152 | 176.3 | -77.1 | 175.9 | 179.9 | 171.4 | 0 | 110.6 | R134 E135 R136 | K132-R134 PolarHBondContact O-N 3.23Å; K132-E135 PolarHBondContact O-N 3.32Å; K132-R136 PolarHBondContact O-N 3.27Å | ||
| 133 | K | 72.9 | Confident | 69.4 | Low | 200 Ų | 200 | 114.9 Ų | 114.9 | 87% | 0.87 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -27.3 | -173.2 | -168.5 | 177.2 | 179.5 | -177.5 | 0 | 114.7 | ||
| 134 | R | 73.3 | Confident | 67.8 | Low | 236 Ų | 236 | 116.4 Ų | 116.4 | 89% | 0.891 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -29.3 | 177.9 | -161.9 | 178.7 | -156.2 | 171.2 | 6.2 | 113.8 | K132 | K132-R134 PolarHBondContact O-N 3.23Š|
| 135 | E | 69.3 | Low | 66.4 | Low | 112 Ų | 112 | 122.3 Ų | 122.3 | 52% | 0.523 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86 | -23 | -176 | -69.2 | 173.5 | 167 | 0 | 0 | 112.4 | A131 K132 A137 A138 | A131-E135 HydrophobicContact CB-CB 4.49Å; K132-E135 PolarHBondContact O-N 3.32Å; E135-A137 VanDerWaalsContact C-N 3.29Å; E135-A137 PolarHBondContact O-N 2.64Å; E135-A138 PolarHBondContact O-N 3.1Å |
| 136 | R | 67 | Low | 64.7 | Low | 136 Ų | 136 | 127.6 Ų | 127.6 | 51% | 0.513 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -62 | -34.3 | 179.1 | -69.3 | -174.9 | -176.6 | -176 | -3 | 113.5 | K129 A131 K132 A138 M139 | K129-R136 PolarHBondContact O-NH2 2.96Å; A131-R136 HydrophobicContact CB-CG 4.12Å; A131-R136 PolarHBondContact O-NE 3.5Å; K132-R136 PolarHBondContact O-N 3.27Å; R136-A138 VanDerWaalsContact C-N 3.28Å; R136-A138 PolarHBondContact O-N 2.68Å; R136-M139 PolarHBondContact O-N 3.16Å |
| 137 | A | 64.8 | Low | 63.1 | Low | 77 Ų | 77 | 130.3 Ų | 130.3 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -70.6 | -23 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E135 | E135-A137 VanDerWaalsContact C-N 3.29Å; E135-A137 PolarHBondContact O-N 2.64Å |
| 138 | A | 65.9 | Low | 61.4 | Low | 69 Ų | 69 | 129.8 Ų | 129.8 | 57% | 0.57 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -85.8 | -17.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | E135 R136 | E135-A138 PolarHBondContact O-N 3.1Å; R136-A138 VanDerWaalsContact C-N 3.28Å; R136-A138 PolarHBondContact O-N 2.68Å |
| 139 | M | 63.5 | Low | 60 | Low | 56 Ų | 56 | 130.9 Ų | 130.9 | 28% | 0.276 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -95.7 | -3.9 | -176.1 | -58.2 | -173.2 | 92.1 | 0 | 0 | 113.8 | K127 R136 | K127-M139 HydrophobicContact CD-CE 3.79Å; K127-M139 HydrophobicContact CG-CE 4.19Å; R136-M139 PolarHBondContact O-N 3.16Å |
| 140 | D | 59.4 | Low | 58.3 | Low | 122 Ų | 122 | 128.6 Ų | 128.6 | 65% | 0.652 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -84.4 | -16.4 | 178.1 | -111.3 | -3.6 | 0 | 0 | 0 | 112.7 | ||
| 141 | E | 56.4 | Low | 56.7 | Low | 152 Ų | 152 | 129.2 Ų | 129.2 | 71% | 0.71 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -83.5 | -22.5 | -178.2 | -64.7 | -75.6 | 157.7 | 0 | 0 | 112.9 | ||
| 142 | D | 52.6 | Low | 55.3 | Low | 149 Ų | 149 | 135.1 Ų | 135.1 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -88.1 | -6.1 | -174.4 | -72.2 | -31.8 | 0 | 0 | 0 | 114.2 | ||
| 143 | D | 48.7 | Very low | 54.2 | Low | 111 Ų | 111 | 132 Ų | 132 | 59% | 0.594 | 69% | 0.687 | S | S | * | * | trans | -98.8 | 22.5 | -172 | -138.1 | -12.3 | 0 | 0 | 0 | 113.3 | K128 | K128-D143 IonicContact NZ-OD2 2.84Å; K128-D143 PolarHBondContact NZ-OD2 3.42Å | ||
| 144 | V | 43.4 | Very low | 53.6 | Low | 114 Ų | 114 | 132.4 Ų | 132.4 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | trans | -85.8 | -6.3 | -171.9 | -178.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 145 | N | 44.5 | Very low | 53.3 | Low | 164 Ų | 164 | 130.6 Ų | 130.6 | 88% | 0.877 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -117.8 | 43.2 | -169 | -119.3 | 2.1 | 0 | 0 | 0 | 116.5 | ||
| 146 | Q | 39.7 | Very low | 53.6 | Low | 184 Ų | 184 | 129.2 Ų | 129.2 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | trans | -140.2 | 72.6 | 156.4 | -119.2 | 177.1 | 26 | 0 | 0 | 110.9 | V148 | Q146-V148 VanDerWaalsContact C-N 3.28Å; Q146-V148 PolarHBondContact O-N 3.41Å | ||
| 147 | N | 41 | Very low | 54 | Low | 142 Ų | 142 | 131.9 Ų | 131.9 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | -78.3 | 79 | 173.5 | -147.1 | 4.4 | 0 | 0 | 0 | 109.8 | V149 | N147-V149 VanDerWaalsContact OD1-CG2 3.29Å; N147-V149 WeakPolarHBondContact OD1-CG2 3.42Å | ||
| 148 | V | 39.2 | Very low | 54.6 | Low | 119 Ų | 119 | 136 Ų | 136 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | trans | -120.2 | 89 | 152.2 | -175 | 0 | 0 | 0 | 0 | 106.6 | Q146 V150 | Q146-V148 VanDerWaalsContact C-N 3.28Å; Q146-V148 PolarHBondContact O-N 3.41Å; V148-V150 HydrophobicContact CG1-CG2 4.03Å; V148-V150 PolarHBondContact O-N 3.2Å | ||
| 149 | V | 44.1 | Very low | 55 | Low | 106 Ų | 106 | 141 Ų | 141 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | trans | -66 | 84.4 | 172.9 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | N147 K151 | N147-V149 VanDerWaalsContact OD1-CG2 3.29Å; N147-V149 WeakPolarHBondContact OD1-CG2 3.42Å; V149-K151 HydrophobicContact CG1-CG 4.07Å; V149-K151 PolarHBondContact O-N 3.36Å | ||
| 150 | V | 41.3 | Very low | 55.7 | Low | 103 Ų | 103 | 144 Ų | 144 | 62% | 0.624 | 75% | 0.754 | S | S | * | * | trans | -78.4 | 102.3 | 158.4 | -175.5 | 0 | 0 | 0 | 0 | 106 | V148 N152 | V148-V150 HydrophobicContact CG1-CG2 4.03Å; V148-V150 PolarHBondContact O-N 3.2Å; V150-N152 PolarHBondContact O-N 3.45Å | ||
| 151 | K | 46 | Very low | 55.9 | Low | 185 Ų | 185 | 147.4 Ų | 147.4 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -59.1 | 99 | 171.7 | -68.3 | 178.6 | 179.4 | 174 | 0 | 108.1 | V149 S153 | V149-K151 HydrophobicContact CG1-CG 4.07Å; V149-K151 PolarHBondContact O-N 3.36Å; K151-S153 PolarHBondContact O-N 3.05Å | ||
| 152 | N | 49.1 | Very low | 56.1 | Low | 137 Ų | 137 | 151.7 Ų | 151.7 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | -67.1 | 97.6 | 175.2 | -76.3 | -25.3 | 0 | 0 | 0 | 109.1 | V150 | V150-N152 PolarHBondContact O-N 3.45Š| ||
| 153 | S | 55.8 | Low | 56.3 | Low | 99 Ų | 99 | 151.9 Ų | 151.9 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | trans | -60.4 | 135.5 | 160.1 | 53.1 | 0 | 0 | 0 | 0 | 108.1 | K151 K155 | K151-S153 PolarHBondContact O-N 3.05Å; S153-K155 PolarHBondContact O-N 3.11Å | ||
| 154 | K | 59.8 | Low | 56.7 | Low | 207 Ų | 207 | 154 Ų | 154 | 90% | 0.9 | 81% | 0.805 | S | S | * | * | trans | -57.1 | 112.9 | -178.1 | -62.9 | 177.8 | -178.9 | 175.4 | 0 | 108.6 | A156 | K154-A156 PolarHBondContact O-N 3.12Å; K154-A156 VanDerWaalsContact O-N 3.15Å | ||
| 155 | K | 67 | Low | 57.4 | Low | 198 Ų | 198 | 156.2 Ų | 156.2 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -73.3 | 105.7 | 177.4 | -56.8 | -161.7 | -177.7 | -173.1 | 0 | 108.3 | S153 | S153-K155 PolarHBondContact O-N 3.11Š| ||
| 156 | A | 75.9 | Confident | 58.2 | Low | 84 Ų | 84 | 155.8 Ų | 155.8 | 69% | 0.694 | 81% | 0.807 | S | S | * | * | trans | -84 | 150.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | K154 L158 | K154-A156 PolarHBondContact O-N 3.12Å; K154-A156 VanDerWaalsContact O-N 3.15Å; A156-L158 PolarHBondContact O-N 3.17Å | ||
| 157 | F | 76.5 | Confident | 59.3 | Low | 192 Ų | 192 | 154 Ų | 154 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -67.9 | 111.6 | 179.5 | -163.6 | -96.3 | 0 | 0 | 0 | 110 | ||||
| 158 | L | 76.8 | Confident | 60.6 | Low | 162 Ų | 162 | 154.8 Ų | 154.8 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 120.2 | 172.3 | -86.9 | 149.7 | 0 | 0 | 0 | 108.4 | A156 | A156-L158 PolarHBondContact O-N 3.17Š|
| 159 | K | 75.1 | Confident | 62.1 | Low | 175 Ų | 175 | 157.4 Ų | 157.4 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 141.1 | 172.8 | -75.7 | -175.9 | 177.2 | -177.2 | 0 | 109.8 | ||
| 160 | P | 76.6 | Confident | 63.5 | Low | 120 Ų | 120 | 161.3 Ų | 161.3 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 144.3 | 173.1 | -19.6 | 32 | 0 | 0 | 0 | 110.9 | ||
| 161 | Q | 64.8 | Low | 65.3 | Low | 192 Ų | 192 | 166.2 Ų | 166.2 | 90% | 0.897 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 140.9 | 169.7 | -66.4 | -162.3 | -28 | 0 | 0 | 109.6 | ||
| 162 | D | 60.6 | Low | 67.1 | Low | 243 Ų | 243 | 164.5 Ų | 164.5 | 100% | 1.299 | 85% | 0.846 | S | S | * | * | trans | -67.1 | 0 | 174 | -70.7 | -33.7 | 0 | 0 | 0 | 112.1 |
Retrieved 162 of 162 residues in 262.1 ms
(Link to these results)