| 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 | 41.1 | Very low | 67.7 | Low | 239 Ų | 239 | 148.5 Ų | 148.5 | 100% | 1.177 | 80% | 0.802 | S | S | * | * | 0 | 77.9 | 0 | -73.2 | -80.3 | -164.6 | 0 | 0 | 108.6 | C3 | M1-C3 PolarHBondContact O-N 3.24Š| |||
| 2 | N | 54.5 | Low | 68.9 | Low | 146 Ų | 146 | 141.6 Ų | 141.6 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | -70.6 | 109.7 | 174.1 | -68.3 | -15 | 0 | 0 | 0 | 106.6 | T4 | N2-T4 HydrophobicContact CB-CG2 3.74Å; N2-T4 PolarHBondContact O-N 2.86Å | ||
| 3 | C | 51.8 | Low | 70 | Confident | 121 Ų | 121 | 147.2 Ų | 147.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -74.8 | 82.9 | 174.6 | -170 | 0 | 0 | 0 | 0 | 107.6 | M1 V5 | M1-C3 PolarHBondContact O-N 3.24Å; C3-V5 VanDerWaalsContact C-N 3.26Å; C3-V5 PolarHBondContact O-N 3.08Å | ||
| 4 | T | 59.5 | Low | 70.8 | Confident | 123 Ų | 123 | 142.9 Ų | 142.9 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 15.5 | -167 | 42.6 | 0 | 0 | 0 | 0 | 114.7 | N2 | N2-T4 HydrophobicContact CB-CG2 3.74Å; N2-T4 PolarHBondContact O-N 2.86Å |
| 5 | V | 65.1 | Low | 71.5 | Confident | 132 Ų | 132 | 147.9 Ų | 147.9 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -26.1 | -173.8 | -171.2 | 0 | 0 | 0 | 0 | 112.9 | C3 | C3-V5 VanDerWaalsContact C-N 3.26Å; C3-V5 PolarHBondContact O-N 3.08Å |
| 6 | R | 70.5 | Confident | 72.2 | Confident | 212 Ų | 212 | 147 Ų | 147 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -93.8 | 118.3 | -179.3 | -70.4 | -170.5 | -174.1 | -157.6 | 0.4 | 111.2 | ||
| 7 | G | 77.7 | Confident | 72.8 | Confident | 71 Ų | 71 | 146.7 Ų | 146.7 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 156.7 | 169 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 8 | K | 77.9 | Confident | 73.2 | Confident | 207 Ų | 207 | 143 Ų | 143 | 90% | 0.9 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 133.6 | 176 | -65.5 | -178.9 | 179.8 | 179.3 | 0 | 109.4 | ||
| 9 | P | 81.9 | Confident | 73.5 | Confident | 56 Ų | 56 | 142.6 Ų | 142.6 | 36% | 0.364 | 74% | 0.743 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 140.5 | 174.5 | 27.6 | -34.4 | 0 | 0 | 0 | 110.2 | S11 G12 T14 | P9-S11 VanDerWaalsContact C-N 3.27Å; P9-S11 PolarHBondContact O-N 3.26Å; P9-G12 PolarHBondContact O-N 3.43Å; P9-T14 HydrophobicContact CG-CG2 3.92Å |
| 10 | K | 79.8 | Confident | 73.9 | Confident | 222 Ų | 222 | 142.4 Ų | 142.4 | 97% | 0.965 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -38.6 | -176.9 | -173.5 | 177.6 | -179.4 | -179.4 | 0 | 113.2 | G12 | K10-G12 VanDerWaalsContact C-N 3.32Š|
| 11 | S | 85.3 | Confident | 74.3 | Confident | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -0.5 | -179.9 | 59.6 | 0 | 0 | 0 | 0 | 114.3 | P9 R13 | P9-S11 VanDerWaalsContact C-N 3.27Å; P9-S11 PolarHBondContact O-N 3.26Å; S11-R13 PolarHBondContact O-N 3.18Å |
| 12 | G | 82 | Confident | 76.3 | Confident | 66 Ų | 66 | 134.3 Ų | 134.3 | 68% | 0.68 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 72.9 | -12.7 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | P9 K10 | P9-G12 PolarHBondContact O-N 3.43Å; K10-G12 VanDerWaalsContact C-N 3.32Å |
| 13 | R | 82.5 | Confident | 77.6 | Confident | 215 Ų | 215 | 134 Ų | 134 | 81% | 0.811 | 70% | 0.704 | S | S | * | * | trans | -112.6 | 124.6 | -176.8 | -167.3 | 162.8 | 176.8 | 81.4 | -1.5 | 112.7 | S11 | S11-R13 PolarHBondContact O-N 3.18Š| ||
| 14 | T | 81.1 | Confident | 78.9 | Confident | 87 Ų | 87 | 133.1 Ų | 133.1 | 53% | 0.534 | 70% | 0.699 | S | S | . | * | trans | -90.4 | 131.6 | 172.3 | 56.4 | 0 | 0 | 0 | 0 | 110.8 | P9 | P9-T14 HydrophobicContact CG-CG2 3.92Š| ||
| 15 | W | 82.1 | Confident | 80.1 | Confident | 218 Ų | 218 | 130.5 Ų | 130.5 | 83% | 0.826 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -78.6 | -14 | -179.4 | 71.6 | -83.3 | 0 | 0 | 0 | 114.7 | ||
| 16 | K | 82.4 | Confident | 80.9 | Confident | 133 Ų | 133 | 129.1 Ų | 129.1 | 58% | 0.578 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -133.7 | 143.1 | 179.4 | -91.1 | 175.9 | 174.4 | 167.6 | 0 | 111 | V18 | K16-V18 PolarHBondContact O-N 3.15Š|
| 17 | T | 81.5 | Confident | 81.3 | Confident | 142 Ų | 142 | 128.7 Ų | 128.7 | 87% | 0.871 | 68% | 0.681 | S | S | * | * | trans | -63.8 | 129.8 | 171.6 | -47.4 | 0 | 0 | 0 | 0 | 109.6 | R19 | T17-R19 PolarHBondContact O-N 3.49Š| ||
| 18 | V | 80.6 | Confident | 81.4 | Confident | 80 Ų | 80 | 134.2 Ų | 134.2 | 49% | 0.485 | 68% | 0.684 | S | S | . | * | trans | -67.1 | 122.6 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | K16 T20 | K16-V18 PolarHBondContact O-N 3.15Å; V18-T20 PolarHBondContact O-N 3.26Å | ||
| 19 | R | 78.8 | Confident | 81.4 | Confident | 136 Ų | 136 | 131.2 Ų | 131.2 | 51% | 0.513 | 68% | 0.678 | S | S | . | * | trans | -71.2 | 103.5 | 170.5 | -153.9 | -175.9 | 72.9 | -171.9 | -9.1 | 108.7 | T17 A21 H23 | T17-R19 PolarHBondContact O-N 3.49Å; R19-A21 VanDerWaalsContact C-N 3.33Å; R19-A21 PolarHBondContact NE-O 3.39Å; R19-A21 PolarHBondContact NH2-O 3.37Å; R19-H23 VanDerWaalsContact CZ-CE1 3.44Å; R19-H23 PolarHBondContact NH1-CE1 3.02Å; R19-H23 PolarHBondContact NH1-ND1 3.27Å; R19-H23 VanDerWaalsContact NH1-ND1 3.13Å; R19-H23 PolarHBondContact NH2-CD2 3.08Å; R19-H23 PolarHBondContact NH2-CE1 3.2Å; R19-H23 PolarHBondContact NH2-ND1 3.25Å; R19-H23 PolarHBondContact NH2-NE2 2.87Å | ||
| 20 | T | 81.3 | Confident | 81 | Confident | 137 Ų | 137 | 137.5 Ų | 137.5 | 84% | 0.84 | 70% | 0.7 | S | S | * | * | trans | -71.8 | -30 | -179.2 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | V18 | V18-T20 PolarHBondContact O-N 3.26Š| ||
| 21 | A | 82.1 | Confident | 81 | Confident | 53 Ų | 53 | 129 Ų | 129 | 44% | 0.438 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -77.7 | 131.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R19 | R19-A21 VanDerWaalsContact C-N 3.33Å; R19-A21 PolarHBondContact NE-O 3.39Å; R19-A21 PolarHBondContact NH2-O 3.37Å |
| 22 | K | 83.5 | Confident | 80.7 | Confident | 160 Ų | 160 | 132.1 Ų | 132.1 | 70% | 0.696 | 68% | 0.682 | S | S | * | * | trans | -65.8 | 145.5 | 171.6 | -62.7 | -178.7 | 178.1 | 178.4 | 0 | 109.8 | S24 A25 | K22-S24 WeakPolarHBondContact CB-OG 3.4Å; K22-S24 PolarHBondContact O-N 3.4Å; K22-A25 VanDerWaalsContact O-CB 3.26Å; K22-A25 WeakPolarHBondContact O-CB 3.41Å; K22-A25 PolarHBondContact O-N 3.49Å | ||
| 23 | H | 81.9 | Confident | 80.7 | Confident | 139 Ų | 139 | 140 Ų | 140 | 64% | 0.644 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -56.3 | -32.9 | 172.7 | -78 | -76.5 | 0 | 0 | 0 | 111.8 | R19 A25 I26 | R19-H23 VanDerWaalsContact CZ-CE1 3.44Å; R19-H23 PolarHBondContact NH1-CE1 3.02Å; R19-H23 PolarHBondContact NH1-ND1 3.27Å; R19-H23 VanDerWaalsContact NH1-ND1 3.13Å; R19-H23 PolarHBondContact NH2-CD2 3.08Å; R19-H23 PolarHBondContact NH2-CE1 3.2Å; R19-H23 PolarHBondContact NH2-ND1 3.25Å; R19-H23 PolarHBondContact NH2-NE2 2.87Å; H23-A25 PolarHBondContact O-N 2.86Å; H23-I26 WeakPolarHBondContact O-CB 3.46Å; H23-I26 WeakPolarHBondContact O-CG1 3.21Å; H23-I26 PolarHBondContact O-N 3.39Å; H23-I26 VanDerWaalsContact O-N 3.08Å |
| 24 | S | 80.2 | Confident | 80.8 | Confident | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -65.4 | -16.3 | 176.7 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | K22 | K22-S24 WeakPolarHBondContact CB-OG 3.4Å; K22-S24 PolarHBondContact O-N 3.4Å |
| 25 | A | 82.8 | Confident | 81.3 | Confident | 67 Ų | 67 | 132.2 Ų | 132.2 | 55% | 0.554 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -75.3 | -15.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K22 H23 K27 | K22-A25 VanDerWaalsContact O-CB 3.26Å; K22-A25 WeakPolarHBondContact O-CB 3.41Å; K22-A25 PolarHBondContact O-N 3.49Å; H23-A25 PolarHBondContact O-N 2.86Å; A25-K27 PolarHBondContact O-N 3.39Å |
| 26 | I | 83.3 | Confident | 81.8 | Confident | 104 Ų | 104 | 128 Ų | 128 | 53% | 0.533 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -72.3 | 98.5 | 174.5 | -56.5 | 171.2 | 0 | 0 | 0 | 106.9 | H23 K28 | H23-I26 WeakPolarHBondContact O-CB 3.46Å; H23-I26 WeakPolarHBondContact O-CG1 3.21Å; H23-I26 PolarHBondContact O-N 3.39Å; H23-I26 VanDerWaalsContact O-N 3.08Å; I26-K28 PolarHBondContact O-N 3.15Å |
| 27 | K | 78.5 | Confident | 82.4 | Confident | 203 Ų | 203 | 129.3 Ų | 129.3 | 88% | 0.883 | 67% | 0.666 | S | S | * | * | trans | -60.2 | 104.1 | 173.1 | -69.2 | -175.4 | -179.7 | -179.7 | 0 | 108.1 | A25 D29 | A25-K27 PolarHBondContact O-N 3.39Å; K27-D29 PolarHBondContact O-N 3.13Å | ||
| 28 | K | 79 | Confident | 83 | Confident | 186 Ų | 186 | 125.7 Ų | 125.7 | 81% | 0.809 | 64% | 0.643 | S | S | * | * | trans | -71 | 118.5 | 161.3 | -61.6 | -171.5 | -178.8 | -174.2 | 0 | 105.6 | I26 K30 | I26-K28 PolarHBondContact O-N 3.15Å; K28-K30 PolarHBondContact O-N 3.49Å; K28-K30 VanDerWaalsContact O-N 3.11Å | ||
| 29 | D | 77.9 | Confident | 83.7 | Confident | 145 Ų | 145 | 127.6 Ų | 127.6 | 78% | 0.775 | 64% | 0.642 | S | S | * | * | trans | -54.7 | 123.9 | 170.3 | -170.8 | -0.7 | 0 | 0 | 0 | 107.6 | K27 G31 | K27-D29 PolarHBondContact O-N 3.13Å; D29-G31 PolarHBondContact O-N 3.09Å | ||
| 30 | K | 74.7 | Confident | 84.6 | Confident | 188 Ų | 188 | 127.9 Ų | 127.9 | 82% | 0.817 | 64% | 0.643 | S | S | * | * | trans | -75 | 88.5 | 168.9 | -68.1 | -178.2 | -176.9 | 178.5 | 0 | 103.2 | K28 | K28-K30 PolarHBondContact O-N 3.49Å; K28-K30 VanDerWaalsContact O-N 3.11Å | ||
| 31 | G | 80.3 | Confident | 85.4 | Confident | 42 Ų | 42 | 127.6 Ų | 127.6 | 43% | 0.433 | 63% | 0.63 | S | S | . | * | trans | -43.5 | 147.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111 | D29 R33 | D29-G31 PolarHBondContact O-N 3.09Å; G31-R33 VanDerWaalsContact C-N 3.31Å; G31-R33 WeakPolarHBondContact O-CG 3.48Å; G31-R33 PolarHBondContact O-N 3.28Å | ||
| 32 | I | 79 | Confident | 86.1 | Confident | 170 Ų | 170 | 128.8 Ų | 128.8 | 87% | 0.872 | 63% | 0.628 | S | S | * | * | trans | -50.9 | 89.9 | -165.2 | -56 | 162.8 | 0 | 0 | 0 | 111 | ||||
| 33 | R | 80.1 | Confident | 86.7 | Confident | 231 Ų | 231 | 125.1 Ų | 125.1 | 87% | 0.872 | 61% | 0.613 | S | S | * | * | trans | -93.3 | 105.6 | 177.4 | -79.4 | 177 | -172.5 | -161 | 1.2 | 106.4 | G31 | G31-R33 VanDerWaalsContact C-N 3.31Å; G31-R33 WeakPolarHBondContact O-CG 3.48Å; G31-R33 PolarHBondContact O-N 3.28Å | ||
| 34 | T | 85.8 | Confident | 87.5 | Confident | 83 Ų | 83 | 121.8 Ų | 121.8 | 51% | 0.509 | 61% | 0.606 | S | S | . | * | trans | -61.5 | 139.1 | 166.4 | 49 | 0 | 0 | 0 | 0 | 109 | ||||
| 35 | S | 91.1 | Very high | 88.3 | Confident | 57 Ų | 57 | 121 Ų | 121 | 40% | 0.399 | 59% | 0.591 | S | S | . | * | trans | -61.2 | 151.7 | 175.5 | 83.5 | 0 | 0 | 0 | 0 | 109.8 | Q37 T38 R39 | S35-Q37 PolarHBondContact O-N 2.73Å; S35-T38 PolarHBondContact O-N 3.49Å; S35-T38 VanDerWaalsContact O-N 3.15Å; S35-T38 WeakPolarHBondContact OG-CB 3.43Å; S35-T38 PolarHBondContact OG-N 3.18Å; S35-T38 PolarHBondContact OG-OG1 3.48Å; S35-R39 PolarHBondContact O-N 3.43Å | ||
| 36 | F | 92.7 | Very high | 89 | Confident | 130 Ų | 130 | 122 Ų | 122 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -54.6 | -42.8 | 175.4 | 176.7 | -99.5 | 0 | 0 | 0 | 111.4 | T38 R39 R40 | F36-T38 PolarHBondContact O-N 2.8Å; F36-R39 PolarHBondContact O-N 3.43Å; F36-R40 HydrophobicContact CD1-CG 4Å; F36-R40 HydrophobicContact CD2-CG 4.47Å; F36-R40 HydrophobicContact CE1-CG 3.59Å; F36-R40 HydrophobicContact CE2-CG 4.11Å; F36-R40 HydrophobicContact CG-CG 4.43Å; F36-R40 HydrophobicContact CZ-CG 3.66Å; F36-R40 VanDerWaalsContact O-CG 3.32Å; F36-R40 WeakPolarHBondContact O-CG 3.34Å; F36-R40 PolarHBondContact O-N 2.65Å |
| 37 | Q | 94.5 | Very high | 89.8 | Confident | 160 Ų | 160 | 123.6 Ų | 123.6 | 75% | 0.748 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.7 | -44 | 177.5 | -69.3 | -178.9 | -29.8 | 0 | 0 | 112.4 | S35 R39 R40 K41 | S35-Q37 PolarHBondContact O-N 2.73Å; Q37-R39 VanDerWaalsContact C-N 3.35Å; Q37-R39 PolarHBondContact O-N 3.16Å; Q37-R40 PolarHBondContact O-N 3.24Å; Q37-K41 PolarHBondContact O-N 2.87Å |
| 38 | T | 95.1 | Very high | 90.7 | Very high | 65 Ų | 65 | 120.4 Ų | 120.4 | 40% | 0.399 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.4 | -45.2 | 176.2 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | S35 F36 K41 I42 | S35-T38 PolarHBondContact O-N 3.49Å; S35-T38 VanDerWaalsContact O-N 3.15Å; S35-T38 WeakPolarHBondContact OG-CB 3.43Å; S35-T38 PolarHBondContact OG-N 3.18Å; S35-T38 PolarHBondContact OG-OG1 3.48Å; F36-T38 PolarHBondContact O-N 2.8Å; T38-K41 PolarHBondContact O-N 3.08Å; T38-I42 HydrophobicContact CG2-CD1 4.04Å; T38-I42 WeakPolarHBondContact O-CG1 3.33Å; T38-I42 PolarHBondContact O-N 3.48Å |
| 39 | R | 95.5 | Very high | 91.6 | Very high | 120 Ų | 120 | 116.7 Ų | 116.7 | 45% | 0.453 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.2 | -43.9 | 177.1 | 173 | 167.9 | 39.2 | 136.4 | -3.2 | 112 | S35 F36 Q37 K41 I42 E43 | S35-R39 PolarHBondContact O-N 3.43Å; F36-R39 PolarHBondContact O-N 3.43Å; Q37-R39 VanDerWaalsContact C-N 3.35Å; Q37-R39 PolarHBondContact O-N 3.16Å; R39-K41 VanDerWaalsContact C-N 3.32Å; R39-K41 PolarHBondContact O-N 3.36Å; R39-I42 PolarHBondContact O-N 3.44Å; R39-E43 HydrophobicContact CG-CG 4.47Å; R39-E43 WeakPolarHBondContact CG-OE1 3.35Å; R39-E43 WeakPolarHBondContact O-CB 3.43Å; R39-E43 WeakPolarHBondContact O-CG 3.17Å; R39-E43 PolarHBondContact O-N 3.27Å |
| 40 | R | 97.4 | Very high | 92.5 | Very high | 143 Ų | 143 | 117.5 Ų | 117.5 | 54% | 0.54 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.3 | -39.5 | 176.1 | -67.8 | -62.8 | -70.2 | 175.9 | -12.6 | 112.3 | F36 Q37 E43 S44 | F36-R40 HydrophobicContact CD1-CG 4Å; F36-R40 HydrophobicContact CD2-CG 4.47Å; F36-R40 HydrophobicContact CE1-CG 3.59Å; F36-R40 HydrophobicContact CE2-CG 4.11Å; F36-R40 HydrophobicContact CG-CG 4.43Å; F36-R40 HydrophobicContact CZ-CG 3.66Å; F36-R40 VanDerWaalsContact O-CG 3.32Å; F36-R40 WeakPolarHBondContact O-CG 3.34Å; F36-R40 PolarHBondContact O-N 2.65Å; Q37-R40 PolarHBondContact O-N 3.24Å; R40-E43 IonicContact CZ-OE2 3.89Å; R40-E43 IonicContact NH1-OE2 3.01Å; R40-E43 PolarHBondContact NH1-OE2 2.92Å; R40-E43 PolarHBondContact O-N 2.89Å; R40-S44 WeakPolarHBondContact O-CB 3.46Å; R40-S44 PolarHBondContact O-N 3.48Å |
| 41 | K | 97.2 | Very high | 93.7 | Very high | 131 Ų | 131 | 112.6 Ų | 112.6 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.8 | -49.8 | 174.6 | -175.7 | 177.3 | 175.5 | 179.9 | 0 | 111.2 | Q37 T38 R39 E43 S44 E45 | Q37-K41 PolarHBondContact O-N 2.87Å; T38-K41 PolarHBondContact O-N 3.08Å; R39-K41 VanDerWaalsContact C-N 3.32Å; R39-K41 PolarHBondContact O-N 3.36Å; K41-E43 PolarHBondContact O-N 3.27Å; K41-S44 WeakPolarHBondContact O-CB 3.46Å; K41-S44 PolarHBondContact O-N 3.04Å; K41-S44 VanDerWaalsContact O-N 3.13Å; K41-S44 PolarHBondContact O-OG 3.19Å; K41-E45 WeakPolarHBondContact CE-OE1 3.46Å; K41-E45 WeakPolarHBondContact CG-OE1 3.44Å; K41-E45 WeakPolarHBondContact O-CG 3.27Å; K41-E45 PolarHBondContact O-N 3.34Å |
| 42 | I | 97.1 | Very high | 94.5 | Very high | 77 Ų | 77 | 114.1 Ų | 114.1 | 40% | 0.395 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 177.4 | -67.3 | 165.6 | 0 | 0 | 0 | 111.3 | T38 R39 S44 E45 I46 | T38-I42 HydrophobicContact CG2-CD1 4.04Å; T38-I42 WeakPolarHBondContact O-CG1 3.33Å; T38-I42 PolarHBondContact O-N 3.48Å; R39-I42 PolarHBondContact O-N 3.44Å; I42-S44 VanDerWaalsContact C-N 3.3Å; I42-S44 PolarHBondContact O-N 3.21Å; I42-E45 PolarHBondContact O-N 2.98Å; I42-I46 HydrophobicContact CG2-CD1 3.67Å; I42-I46 HydrophobicContact CG2-CG1 4.32Å; I42-I46 VanDerWaalsContact O-CG1 3.3Å; I42-I46 WeakPolarHBondContact O-CG1 3.34Å; I42-I46 PolarHBondContact O-N 3.06Å |
| 43 | E | 97.3 | Very high | 95.4 | Very high | 83 Ų | 83 | 109.2 Ų | 109.2 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58 | -42.4 | 175.8 | -75.8 | 171.5 | -171.9 | 0 | 0 | 111.9 | R39 R40 K41 K47 | R39-E43 HydrophobicContact CG-CG 4.47Å; R39-E43 WeakPolarHBondContact CG-OE1 3.35Å; R39-E43 WeakPolarHBondContact O-CB 3.43Å; R39-E43 WeakPolarHBondContact O-CG 3.17Å; R39-E43 PolarHBondContact O-N 3.27Å; R40-E43 IonicContact CZ-OE2 3.89Å; R40-E43 IonicContact NH1-OE2 3.01Å; R40-E43 PolarHBondContact NH1-OE2 2.92Å; R40-E43 PolarHBondContact O-N 2.89Å; K41-E43 PolarHBondContact O-N 3.27Å; E43-K47 WeakPolarHBondContact O-CB 3.5Å; E43-K47 PolarHBondContact O-N 3.4Å |
| 44 | S | 97.7 | Very high | 96.3 | Very high | 69 Ų | 69 | 101.9 Ų | 101.9 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 178 | 78 | 0 | 0 | 0 | 0 | 112.5 | R40 K41 I42 K47 K48 | R40-S44 WeakPolarHBondContact O-CB 3.46Å; R40-S44 PolarHBondContact O-N 3.48Å; K41-S44 WeakPolarHBondContact O-CB 3.46Å; K41-S44 PolarHBondContact O-N 3.04Å; K41-S44 VanDerWaalsContact O-N 3.13Å; K41-S44 PolarHBondContact O-OG 3.19Å; I42-S44 VanDerWaalsContact C-N 3.3Å; I42-S44 PolarHBondContact O-N 3.21Å; S44-K47 PolarHBondContact O-N 2.86Å; S44-K48 WeakPolarHBondContact O-CB 3.38Å; S44-K48 PolarHBondContact O-N 2.96Å |
| 45 | E | 97.9 | Very high | 96.8 | Very high | 88 Ų | 88 | 104.6 Ų | 104.6 | 41% | 0.411 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -46.4 | 177.8 | -71.8 | 170.7 | -177 | 0 | 0 | 111 | K41 I42 K47 K48 I49 | K41-E45 WeakPolarHBondContact CE-OE1 3.46Å; K41-E45 WeakPolarHBondContact CG-OE1 3.44Å; K41-E45 WeakPolarHBondContact O-CG 3.27Å; K41-E45 PolarHBondContact O-N 3.34Å; I42-E45 PolarHBondContact O-N 2.98Å; E45-K47 VanDerWaalsContact C-N 3.3Å; E45-K47 PolarHBondContact O-N 3.48Å; E45-K48 WeakPolarHBondContact O-CB 3.36Å; E45-K48 PolarHBondContact O-N 2.91Å; E45-I49 WeakPolarHBondContact O-CG1 3.45Å; E45-I49 PolarHBondContact O-N 3.45Å |
| 46 | I | 98 | Very high | 97.1 | Very high | 86 Ų | 86 | 109.5 Ų | 109.5 | 44% | 0.441 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 175.4 | -68.4 | 168.6 | 0 | 0 | 0 | 110.6 | I42 K48 I49 R50 | I42-I46 HydrophobicContact CG2-CD1 3.67Å; I42-I46 HydrophobicContact CG2-CG1 4.32Å; I42-I46 VanDerWaalsContact O-CG1 3.3Å; I42-I46 WeakPolarHBondContact O-CG1 3.34Å; I42-I46 PolarHBondContact O-N 3.06Å; I46-K48 VanDerWaalsContact C-N 3.35Å; I46-K48 PolarHBondContact O-N 3.42Å; I46-I49 PolarHBondContact O-N 3.27Å; I46-R50 VanDerWaalsContact O-CB 3.28Å; I46-R50 WeakPolarHBondContact O-CB 3.45Å; I46-R50 PolarHBondContact O-N 3.24Å |
| 47 | K | 98.2 | Very high | 97.4 | Very high | 139 Ų | 139 | 110 Ų | 110 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62 | -43 | 177.5 | -174.3 | 177.9 | 179.6 | -178.7 | 0 | 111.3 | E43 S44 E45 R50 N51 | E43-K47 WeakPolarHBondContact O-CB 3.5Å; E43-K47 PolarHBondContact O-N 3.4Å; S44-K47 PolarHBondContact O-N 2.86Å; E45-K47 VanDerWaalsContact C-N 3.3Å; E45-K47 PolarHBondContact O-N 3.48Å; K47-R50 PolarHBondContact O-N 2.68Å; K47-N51 WeakPolarHBondContact O-CB 3.49Å; K47-N51 VanDerWaalsContact O-CG 3.25Å; K47-N51 PolarHBondContact O-N 2.91Å |
| 48 | K | 98.1 | Very high | 97.6 | Very high | 136 Ų | 136 | 108.4 Ų | 108.4 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.6 | -52.6 | 176.7 | -177 | 178.5 | 174.9 | -177.9 | 0 | 111.3 | S44 E45 I46 R50 N51 E52 | S44-K48 WeakPolarHBondContact O-CB 3.38Å; S44-K48 PolarHBondContact O-N 2.96Å; E45-K48 WeakPolarHBondContact O-CB 3.36Å; E45-K48 PolarHBondContact O-N 2.91Å; I46-K48 VanDerWaalsContact C-N 3.35Å; I46-K48 PolarHBondContact O-N 3.42Å; K48-R50 VanDerWaalsContact C-N 3.3Å; K48-R50 PolarHBondContact O-N 2.89Å; K48-N51 PolarHBondContact O-N 3.22Å; K48-N51 VanDerWaalsContact O-N 3.17Å; K48-E52 WeakPolarHBondContact CE-OE1 3.43Å; K48-E52 WeakPolarHBondContact CG-OE1 3.4Å; K48-E52 WeakPolarHBondContact O-CG 3.28Å; K48-E52 PolarHBondContact O-N 3.38Å |
| 49 | I | 97.9 | Very high | 97.7 | Very high | 107 Ų | 107 | 107.4 Ų | 107.4 | 55% | 0.549 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 179.2 | -66.4 | 165.9 | 0 | 0 | 0 | 111.1 | E45 I46 E52 S53 | E45-I49 WeakPolarHBondContact O-CG1 3.45Å; E45-I49 PolarHBondContact O-N 3.45Å; I46-I49 PolarHBondContact O-N 3.27Å; I49-E52 PolarHBondContact O-N 2.95Å; I49-S53 WeakPolarHBondContact O-CB 3.45Å; I49-S53 PolarHBondContact O-N 2.97Å |
| 50 | R | 98 | Very high | 97.9 | Very high | 162 Ų | 162 | 109.2 Ų | 109.2 | 61% | 0.611 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.1 | -45.3 | 177.8 | 179.8 | 174.9 | -75.2 | 154.2 | -3.3 | 111.6 | I46 K47 K48 S53 I54 | I46-R50 VanDerWaalsContact O-CB 3.28Å; I46-R50 WeakPolarHBondContact O-CB 3.45Å; I46-R50 PolarHBondContact O-N 3.24Å; K47-R50 PolarHBondContact O-N 2.68Å; K48-R50 VanDerWaalsContact C-N 3.3Å; K48-R50 PolarHBondContact O-N 2.89Å; R50-S53 PolarHBondContact O-N 3.42Å; R50-I54 HydrophobicContact CG-CD1 3.96Å; R50-I54 VanDerWaalsContact O-CG1 3.31Å; R50-I54 WeakPolarHBondContact O-CG1 3.4Å; R50-I54 PolarHBondContact O-N 3.12Å |
| 51 | N | 98 | Very high | 97.9 | Very high | 85 Ų | 85 | 105.7 Ų | 105.7 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | 179.1 | -73.4 | -7.6 | 0 | 0 | 0 | 111.6 | K47 K48 S53 I54 E55 | K47-N51 WeakPolarHBondContact O-CB 3.49Å; K47-N51 VanDerWaalsContact O-CG 3.25Å; K47-N51 PolarHBondContact O-N 2.91Å; K48-N51 PolarHBondContact O-N 3.22Å; K48-N51 VanDerWaalsContact O-N 3.17Å; N51-S53 VanDerWaalsContact C-N 3.28Å; N51-S53 PolarHBondContact O-N 3.44Å; N51-I54 PolarHBondContact O-N 3.5Å; N51-I54 VanDerWaalsContact O-N 3.12Å; N51-E55 PolarHBondContact O-N 2.99Å |
| 52 | E | 97.9 | Very high | 97.9 | Very high | 74 Ų | 74 | 105.5 Ų | 105.5 | 35% | 0.346 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -36.4 | 175.7 | -69.9 | 172.9 | -171.2 | 0 | 0 | 112.2 | K48 I49 R56 | K48-E52 WeakPolarHBondContact CE-OE1 3.43Å; K48-E52 WeakPolarHBondContact CG-OE1 3.4Å; K48-E52 WeakPolarHBondContact O-CG 3.28Å; K48-E52 PolarHBondContact O-N 3.38Å; I49-E52 PolarHBondContact O-N 2.95Å; E52-R56 WeakPolarHBondContact O-CB 3.37Å; E52-R56 VanDerWaalsContact O-CG 3.29Å; E52-R56 WeakPolarHBondContact O-CG 3.39Å; E52-R56 PolarHBondContact O-N 3.3Å; E52-R56 VanDerWaalsContact O-N 3.09Å; E52-R56 PolarHBondContact O-NE 2.89Å; E52-R56 VanDerWaalsContact O-NE 3.1Å; E52-R56 IonicContact OE2-NH2 3.96Å |
| 53 | S | 97.8 | Very high | 98 | Very high | 68 Ų | 68 | 108 Ų | 108 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 174.9 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | I49 R50 N51 K57 | I49-S53 WeakPolarHBondContact O-CB 3.45Å; I49-S53 PolarHBondContact O-N 2.97Å; R50-S53 PolarHBondContact O-N 3.42Å; N51-S53 VanDerWaalsContact C-N 3.28Å; N51-S53 PolarHBondContact O-N 3.44Å; S53-K57 WeakPolarHBondContact O-CB 3.44Å; S53-K57 PolarHBondContact O-N 2.96Å; S53-K57 VanDerWaalsContact O-N 3.11Å |
| 54 | I | 98.3 | Very high | 98 | Very high | 77 Ų | 77 | 111.6 Ų | 111.6 | 40% | 0.395 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 178.4 | -70.6 | 166 | 0 | 0 | 0 | 110.2 | R50 N51 K57 K58 | R50-I54 HydrophobicContact CG-CD1 3.96Å; R50-I54 VanDerWaalsContact O-CG1 3.31Å; R50-I54 WeakPolarHBondContact O-CG1 3.4Å; R50-I54 PolarHBondContact O-N 3.12Å; N51-I54 PolarHBondContact O-N 3.5Å; N51-I54 VanDerWaalsContact O-N 3.12Å; I54-K57 PolarHBondContact O-N 3.25Å; I54-K58 HydrophobicContact CG2-CD 4.11Å; I54-K58 HydrophobicContact CG2-CG 4.39Å; I54-K58 WeakPolarHBondContact O-CG 3.39Å; I54-K58 PolarHBondContact O-N 3.45Å |
| 55 | E | 97.9 | Very high | 98 | Very high | 139 Ų | 139 | 115.6 Ų | 115.6 | 65% | 0.65 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.6 | -47.7 | 178.4 | -174.7 | 177 | -178.4 | 0 | 0 | 111.6 | N51 K57 K58 A59 | N51-E55 PolarHBondContact O-N 2.99Å; E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.19Å; E55-K58 PolarHBondContact O-N 3.38Å; E55-A59 PolarHBondContact O-N 2.93Å |
| 56 | R | 97.9 | Very high | 98 | Very high | 160 Ų | 160 | 113.6 Ų | 113.6 | 60% | 0.604 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.1 | -41.1 | 175.1 | -77 | -178 | -77.8 | -162.8 | -5.6 | 112.6 | E52 K60 | E52-R56 WeakPolarHBondContact O-CB 3.37Å; E52-R56 VanDerWaalsContact O-CG 3.29Å; E52-R56 WeakPolarHBondContact O-CG 3.39Å; E52-R56 PolarHBondContact O-N 3.3Å; E52-R56 VanDerWaalsContact O-N 3.09Å; E52-R56 PolarHBondContact O-NE 2.89Å; E52-R56 VanDerWaalsContact O-NE 3.1Å; E52-R56 IonicContact OE2-NH2 3.96Å; R56-K60 PolarHBondContact O-N 3.48Å; R56-K60 VanDerWaalsContact O-N 3.16Å |
| 57 | K | 98.2 | Very high | 98 | Very high | 141 Ų | 141 | 116 Ų | 116 | 61% | 0.613 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.5 | -45.7 | 177.3 | -173.4 | 177.5 | 177.8 | -178.5 | 0 | 111.5 | S53 I54 E55 A59 K60 D61 | S53-K57 WeakPolarHBondContact O-CB 3.44Å; S53-K57 PolarHBondContact O-N 2.96Å; S53-K57 VanDerWaalsContact O-N 3.11Å; I54-K57 PolarHBondContact O-N 3.25Å; E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.19Å; K57-A59 PolarHBondContact O-N 2.99Å; K57-K60 PolarHBondContact O-N 2.82Å; K57-D61 PolarHBondContact O-N 3.05Å |
| 58 | K | 98.2 | Very high | 98 | Very high | 127 Ų | 127 | 117.1 Ų | 117.1 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.1 | -48.7 | 177.1 | -75.5 | 179.4 | 177 | -175.5 | 0 | 111.7 | I54 E55 K60 D61 E62 | I54-K58 HydrophobicContact CG2-CD 4.11Å; I54-K58 HydrophobicContact CG2-CG 4.39Å; I54-K58 WeakPolarHBondContact O-CG 3.39Å; I54-K58 PolarHBondContact O-N 3.45Å; E55-K58 PolarHBondContact O-N 3.38Å; K58-K60 VanDerWaalsContact C-N 3.31Å; K58-K60 PolarHBondContact O-N 3.46Å; K58-D61 PolarHBondContact O-N 3.5Å; K58-D61 VanDerWaalsContact O-N 3.14Å; K58-E62 WeakPolarHBondContact O-CG 3.29Å; K58-E62 PolarHBondContact O-N 3.47Å |
| 59 | A | 98 | Very high | 98 | Very high | 44 Ų | 44 | 115.1 Ų | 115.1 | 36% | 0.364 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E55 K57 E62 L63 | E55-A59 PolarHBondContact O-N 2.93Å; K57-A59 PolarHBondContact O-N 2.99Å; A59-E62 PolarHBondContact O-N 2.89Å; A59-L63 VanDerWaalsContact O-CG 3.29Å; A59-L63 WeakPolarHBondContact O-CG 3.36Å; A59-L63 PolarHBondContact O-N 3.26Å |
| 60 | K | 98.2 | Very high | 97.9 | Very high | 158 Ų | 158 | 116.9 Ų | 116.9 | 69% | 0.687 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.1 | -42.1 | 176.2 | -173.7 | 176.6 | -179.6 | 176.9 | 0 | 112.4 | R56 K57 K58 L63 K64 | R56-K60 PolarHBondContact O-N 3.48Å; R56-K60 VanDerWaalsContact O-N 3.16Å; K57-K60 PolarHBondContact O-N 2.82Å; K58-K60 VanDerWaalsContact C-N 3.31Å; K58-K60 PolarHBondContact O-N 3.46Å; K60-L63 PolarHBondContact O-N 2.93Å; K60-K64 WeakPolarHBondContact O-CB 3.5Å; K60-K64 PolarHBondContact O-N 3.34Å |
| 61 | D | 98.2 | Very high | 97.9 | Very high | 69 Ų | 69 | 114.4 Ų | 114.4 | 37% | 0.369 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.8 | -39 | 179.5 | -72.1 | -21.8 | 0 | 0 | 0 | 111.6 | K57 K58 K64 K65 | K57-D61 PolarHBondContact O-N 3.05Å; K58-D61 PolarHBondContact O-N 3.5Å; K58-D61 VanDerWaalsContact O-N 3.14Å; D61-K64 PolarHBondContact O-N 3.05Å; D61-K65 WeakPolarHBondContact O-CB 3.5Å; D61-K65 VanDerWaalsContact O-CG 3.3Å; D61-K65 WeakPolarHBondContact O-CG 3.07Å; D61-K65 PolarHBondContact O-N 3.49Å |
| 62 | E | 98 | Very high | 97.9 | Very high | 126 Ų | 126 | 114.5 Ų | 114.5 | 59% | 0.589 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.4 | -46.5 | 174.2 | -74.6 | 168.5 | -169.4 | 0 | 0 | 111.9 | K58 A59 K64 K65 A66 | K58-E62 WeakPolarHBondContact O-CG 3.29Å; K58-E62 PolarHBondContact O-N 3.47Å; A59-E62 PolarHBondContact O-N 2.89Å; E62-K64 VanDerWaalsContact C-N 3.31Å; E62-K64 PolarHBondContact O-N 2.94Å; E62-K65 PolarHBondContact O-N 3.16Å; E62-A66 WeakPolarHBondContact O-CB 3.3Å; E62-A66 PolarHBondContact O-N 3.21Å |
| 63 | L | 98 | Very high | 97.9 | Very high | 129 Ų | 129 | 116.5 Ų | 116.5 | 68% | 0.675 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.8 | -41.6 | 175.1 | -71.4 | 172.6 | 0 | 0 | 0 | 112 | A59 K60 A66 K67 | A59-L63 VanDerWaalsContact O-CG 3.29Å; A59-L63 WeakPolarHBondContact O-CG 3.36Å; A59-L63 PolarHBondContact O-N 3.26Å; K60-L63 PolarHBondContact O-N 2.93Å; L63-A66 PolarHBondContact O-N 3.39Å; L63-K67 WeakPolarHBondContact O-CB 3.46Å; L63-K67 PolarHBondContact O-N 3.35Å |
| 64 | K | 98.2 | Very high | 97.8 | Very high | 159 Ų | 159 | 121.1 Ų | 121.1 | 69% | 0.691 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.7 | -42.6 | 177.7 | -171.7 | 177.7 | -179.4 | -178.5 | 0 | 111.8 | K60 D61 E62 K67 R68 | K60-K64 WeakPolarHBondContact O-CB 3.5Å; K60-K64 PolarHBondContact O-N 3.34Å; D61-K64 PolarHBondContact O-N 3.05Å; E62-K64 VanDerWaalsContact C-N 3.31Å; E62-K64 PolarHBondContact O-N 2.94Å; K64-K67 PolarHBondContact O-N 3.25Å; K64-R68 WeakPolarHBondContact O-CB 3.46Å; K64-R68 PolarHBondContact O-N 3.17Å |
| 65 | K | 97.7 | Very high | 97.8 | Very high | 153 Ų | 153 | 126.2 Ų | 126.2 | 67% | 0.665 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62 | -46.3 | 175.5 | -74.6 | 174.1 | -178 | -179.4 | 0 | 111.4 | D61 E62 K67 R68 L69 | D61-K65 WeakPolarHBondContact O-CB 3.5Å; D61-K65 VanDerWaalsContact O-CG 3.3Å; D61-K65 WeakPolarHBondContact O-CG 3.07Å; D61-K65 PolarHBondContact O-N 3.49Å; E62-K65 PolarHBondContact O-N 3.16Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 2.89Å; K65-R68 PolarHBondContact O-N 3.09Å; K65-L69 PolarHBondContact O-N 3.33Å |
| 66 | A | 97.6 | Very high | 97.7 | Very high | 47 Ų | 47 | 125.4 Ų | 125.4 | 39% | 0.388 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.8 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E62 L63 L69 K70 | E62-A66 WeakPolarHBondContact O-CB 3.3Å; E62-A66 PolarHBondContact O-N 3.21Å; L63-A66 PolarHBondContact O-N 3.39Å; A66-L69 PolarHBondContact O-N 3.14Å; A66-K70 WeakPolarHBondContact O-CG 3.42Å; A66-K70 PolarHBondContact O-N 2.95Å; A66-K70 VanDerWaalsContact O-N 3.12Å |
| 67 | K | 98.1 | Very high | 97.6 | Very high | 135 Ų | 135 | 126 Ų | 126 | 59% | 0.587 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.6 | -45.9 | 174.9 | -175.4 | 178 | 176.8 | -177.7 | 0 | 111.7 | L63 K64 K65 L69 K70 E71 | L63-K67 WeakPolarHBondContact O-CB 3.46Å; L63-K67 PolarHBondContact O-N 3.35Å; K64-K67 PolarHBondContact O-N 3.25Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 2.89Å; K67-L69 PolarHBondContact O-N 3.1Å; K67-K70 PolarHBondContact O-N 3.34Å; K67-E71 WeakPolarHBondContact CE-OE1 3.29Å; K67-E71 WeakPolarHBondContact O-CG 3.38Å; K67-E71 PolarHBondContact O-N 3.11Å |
| 68 | R | 97.7 | Very high | 97.4 | Very high | 163 Ų | 163 | 125.3 Ų | 125.3 | 62% | 0.615 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.6 | -45.9 | 178.1 | -180 | 177.8 | 173.2 | 172.7 | 1.7 | 111.8 | K64 K65 K70 E71 E72 | K64-R68 WeakPolarHBondContact O-CB 3.46Å; K64-R68 PolarHBondContact O-N 3.17Å; K65-R68 PolarHBondContact O-N 3.09Å; R68-K70 VanDerWaalsContact C-N 3.35Å; R68-K70 PolarHBondContact O-N 3.29Å; R68-E71 PolarHBondContact O-N 3.25Å; R68-E72 HydrophobicContact CG-CG 4.5Å; R68-E72 WeakPolarHBondContact CG-OE1 3.46Å; R68-E72 IonicContact CZ-OE1 3.61Å; R68-E72 IonicContact NE-OE1 2.82Å; R68-E72 PolarHBondContact NE-OE1 2.99Å; R68-E72 IonicContact NH2-OE1 3.51Å; R68-E72 WeakPolarHBondContact O-CG 3.03Å; R68-E72 PolarHBondContact O-N 2.99Å |
| 69 | L | 97.4 | Very high | 97.3 | Very high | 95 Ų | 95 | 122.7 Ų | 122.7 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60 | -45.1 | 177.9 | -175.8 | 64.1 | 0 | 0 | 0 | 111.5 | K65 A66 K67 E71 E72 E73 | K65-L69 PolarHBondContact O-N 3.33Å; A66-L69 PolarHBondContact O-N 3.14Å; K67-L69 PolarHBondContact O-N 3.1Å; L69-E71 VanDerWaalsContact C-N 3.31Å; L69-E71 PolarHBondContact O-N 2.92Å; L69-E72 PolarHBondContact O-N 2.95Å; L69-E73 WeakPolarHBondContact O-CG 3.46Å; L69-E73 PolarHBondContact O-N 3.35Å |
| 70 | K | 97.6 | Very high | 97.1 | Very high | 143 Ų | 143 | 124.9 Ų | 124.9 | 62% | 0.622 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61 | -38.2 | 175.8 | -72.7 | 177.4 | 179.2 | -177 | 0 | 112.9 | A66 K67 R68 K74 | A66-K70 WeakPolarHBondContact O-CG 3.42Å; A66-K70 PolarHBondContact O-N 2.95Å; A66-K70 VanDerWaalsContact O-N 3.12Å; K67-K70 PolarHBondContact O-N 3.34Å; R68-K70 VanDerWaalsContact C-N 3.35Å; R68-K70 PolarHBondContact O-N 3.29Å; K70-K74 VanDerWaalsContact O-CB 3.28Å; K70-K74 WeakPolarHBondContact O-CB 3.42Å; K70-K74 PolarHBondContact O-N 3.47Å |
| 71 | E | 97.5 | Very high | 96.7 | Very high | 111 Ų | 111 | 121.2 Ų | 121.2 | 52% | 0.519 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.4 | -41.1 | 176.8 | -74.6 | 175.6 | -179.8 | 0 | 0 | 111.8 | K67 R68 L69 K74 R75 | K67-E71 WeakPolarHBondContact CE-OE1 3.29Å; K67-E71 WeakPolarHBondContact O-CG 3.38Å; K67-E71 PolarHBondContact O-N 3.11Å; R68-E71 PolarHBondContact O-N 3.25Å; L69-E71 VanDerWaalsContact C-N 3.31Å; L69-E71 PolarHBondContact O-N 2.92Å; E71-K74 PolarHBondContact O-N 2.95Å; E71-R75 WeakPolarHBondContact O-CB 3.37Å; E71-R75 PolarHBondContact O-N 3.18Å |
| 72 | E | 97.4 | Very high | 96.3 | Very high | 86 Ų | 86 | 122 Ų | 122 | 40% | 0.402 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.2 | -47.9 | 175.1 | -72.6 | 170.5 | -176.9 | 0 | 0 | 110.8 | R68 L69 K74 R75 Q76 | R68-E72 HydrophobicContact CG-CG 4.5Å; R68-E72 WeakPolarHBondContact CG-OE1 3.46Å; R68-E72 IonicContact CZ-OE1 3.61Å; R68-E72 IonicContact NE-OE1 2.82Å; R68-E72 PolarHBondContact NE-OE1 2.99Å; R68-E72 IonicContact NH2-OE1 3.51Å; R68-E72 WeakPolarHBondContact O-CG 3.03Å; R68-E72 PolarHBondContact O-N 2.99Å; L69-E72 PolarHBondContact O-N 2.95Å; E72-K74 PolarHBondContact O-N 3.47Å; E72-R75 WeakPolarHBondContact O-CB 3.48Å; E72-R75 PolarHBondContact O-N 3.39Å; E72-Q76 WeakPolarHBondContact O-CG 3.4Å; E72-Q76 PolarHBondContact O-N 3.12Å |
| 73 | E | 97.4 | Very high | 95.9 | Very high | 116 Ų | 116 | 124.6 Ų | 124.6 | 54% | 0.542 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.1 | -45.9 | 173.9 | -73 | 172.7 | -177.1 | 0 | 0 | 112.3 | L69 R75 Q76 R77 | L69-E73 WeakPolarHBondContact O-CG 3.46Å; L69-E73 PolarHBondContact O-N 3.35Å; E73-R75 VanDerWaalsContact C-N 3.31Å; E73-R75 PolarHBondContact O-N 2.65Å; E73-Q76 PolarHBondContact O-N 2.99Å; E73-R77 WeakPolarHBondContact O-CB 3.44Å; E73-R77 PolarHBondContact O-N 2.97Å |
| 74 | K | 96.7 | Very high | 95.3 | Very high | 165 Ų | 165 | 125.9 Ų | 125.9 | 72% | 0.717 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.9 | -38.8 | 178.2 | -173.7 | 176.9 | -179.2 | -179.1 | 0 | 111.6 | K70 E71 E72 K78 | K70-K74 VanDerWaalsContact O-CB 3.28Å; K70-K74 WeakPolarHBondContact O-CB 3.42Å; K70-K74 PolarHBondContact O-N 3.47Å; E71-K74 PolarHBondContact O-N 2.95Å; E72-K74 PolarHBondContact O-N 3.47Å; K74-K78 WeakPolarHBondContact O-CB 3.31Å; K74-K78 PolarHBondContact O-N 3.45Å |
| 75 | R | 97.1 | Very high | 94.4 | Very high | 184 Ų | 184 | 122.6 Ų | 122.6 | 69% | 0.694 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.2 | -46.4 | 175.3 | -180 | -175.8 | -97.1 | -160.6 | -5.6 | 110.7 | E71 E72 E73 R77 K78 L79 | E71-R75 WeakPolarHBondContact O-CB 3.37Å; E71-R75 PolarHBondContact O-N 3.18Å; E72-R75 WeakPolarHBondContact O-CB 3.48Å; E72-R75 PolarHBondContact O-N 3.39Å; E73-R75 VanDerWaalsContact C-N 3.31Å; E73-R75 PolarHBondContact O-N 2.65Å; R75-R77 PolarHBondContact O-N 3.5Å; R75-K78 WeakPolarHBondContact O-CB 3.5Å; R75-K78 PolarHBondContact O-N 3.42Å; R75-L79 HydrophobicContact CG-CD1 4.46Å; R75-L79 WeakPolarHBondContact O-CG 3.49Å; R75-L79 PolarHBondContact O-N 2.93Å |
| 76 | Q | 96.3 | Very high | 93.6 | Very high | 122 Ų | 122 | 123 Ų | 123 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61 | -45.3 | 177.4 | -66.9 | -56.7 | -21.9 | 0 | 0 | 111.8 | E72 E73 K78 L79 E80 | E72-Q76 WeakPolarHBondContact O-CG 3.4Å; E72-Q76 PolarHBondContact O-N 3.12Å; E73-Q76 PolarHBondContact O-N 2.99Å; Q76-K78 VanDerWaalsContact C-N 3.28Å; Q76-K78 PolarHBondContact O-N 2.98Å; Q76-L79 PolarHBondContact O-N 2.97Å; Q76-E80 PolarHBondContact O-N 3.24Å |
| 77 | R | 95.6 | Very high | 92.8 | Very high | 173 Ų | 173 | 126.8 Ų | 126.8 | 65% | 0.653 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62 | -35.5 | 176.2 | -170.7 | 176.4 | -179 | -179.5 | 0.8 | 112.4 | E73 R75 N81 | E73-R77 WeakPolarHBondContact O-CB 3.44Å; E73-R77 PolarHBondContact O-N 2.97Å; R75-R77 PolarHBondContact O-N 3.5Å; R77-N81 VanDerWaalsContact O-CB 3.27Å; R77-N81 WeakPolarHBondContact O-CB 3.34Å; R77-N81 PolarHBondContact O-N 3.42Å; R77-N81 PolarHBondContact O-ND2 2.89Å; R77-N81 PolarHBondContact O-OD1 3.01Å |
| 78 | K | 95.5 | Very high | 91.7 | Very high | 127 Ų | 127 | 124.5 Ų | 124.5 | 55% | 0.552 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.9 | -46.8 | 175.2 | -168.6 | 176.8 | -174.7 | -81.6 | 0 | 111.2 | K74 R75 Q76 E80 N81 E82 | K74-K78 WeakPolarHBondContact O-CB 3.31Å; K74-K78 PolarHBondContact O-N 3.45Å; R75-K78 WeakPolarHBondContact O-CB 3.5Å; R75-K78 PolarHBondContact O-N 3.42Å; Q76-K78 VanDerWaalsContact C-N 3.28Å; Q76-K78 PolarHBondContact O-N 2.98Å; K78-E80 VanDerWaalsContact C-N 3.34Å; K78-E80 PolarHBondContact O-N 3.13Å; K78-N81 PolarHBondContact O-N 3.48Å; K78-E82 IonicContact NZ-OE1 2.68Å; K78-E82 PolarHBondContact NZ-OE1 2.97Å; K78-E82 WeakPolarHBondContact O-CB 3.28Å; K78-E82 WeakPolarHBondContact O-CG 3.04Å; K78-E82 PolarHBondContact O-N 3.28Å |
| 79 | L | 95.1 | Very high | 90.7 | Very high | 72 Ų | 72 | 122.3 Ų | 122.3 | 38% | 0.377 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.2 | -41.3 | 177.2 | -68 | 172.1 | 0 | 0 | 0 | 111.9 | R75 Q76 E82 R83 | R75-L79 HydrophobicContact CG-CD1 4.46Å; R75-L79 WeakPolarHBondContact O-CG 3.49Å; R75-L79 PolarHBondContact O-N 2.93Å; Q76-L79 PolarHBondContact O-N 2.97Å; L79-E82 PolarHBondContact O-N 3.29Å; L79-R83 WeakPolarHBondContact O-CG 3.46Å; L79-R83 PolarHBondContact O-N 2.91Å |
| 80 | E | 93.3 | Very high | 89.8 | Confident | 89 Ų | 89 | 122.8 Ų | 122.8 | 42% | 0.416 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.8 | -42.7 | 175.5 | -172.1 | -178.4 | -169.6 | 0 | 0 | 111.8 | Q76 K78 E82 R83 R84 | Q76-E80 PolarHBondContact O-N 3.24Å; K78-E80 VanDerWaalsContact C-N 3.34Å; K78-E80 PolarHBondContact O-N 3.13Å; E80-E82 VanDerWaalsContact C-N 3.33Å; E80-E82 PolarHBondContact O-N 3Å; E80-R83 PolarHBondContact O-N 3.38Å; E80-R84 HydrophobicContact CG-CG 4.5Å; E80-R84 WeakPolarHBondContact O-CB 3.46Å; E80-R84 WeakPolarHBondContact O-CG 3.4Å; E80-R84 PolarHBondContact O-N 3.01Å; E80-R84 IonicContact OE1-CZ 3.25Å; E80-R84 VanDerWaalsContact OE1-CZ 3.25Å; E80-R84 IonicContact OE1-NE 3.24Å; E80-R84 PolarHBondContact OE1-NE 3.15Å; E80-R84 IonicContact OE1-NH2 2.65Å; E80-R84 PolarHBondContact OE1-NH2 3.31Å |
| 81 | N | 90.8 | Very high | 89 | Confident | 82 Ų | 82 | 119.3 Ų | 119.3 | 44% | 0.439 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.3 | -38.3 | 175.4 | -73.3 | -17.1 | 0 | 0 | 0 | 112 | R77 K78 R84 S85 | R77-N81 VanDerWaalsContact O-CB 3.27Å; R77-N81 WeakPolarHBondContact O-CB 3.34Å; R77-N81 PolarHBondContact O-N 3.42Å; R77-N81 PolarHBondContact O-ND2 2.89Å; R77-N81 PolarHBondContact O-OD1 3.01Å; K78-N81 PolarHBondContact O-N 3.48Å; N81-R84 PolarHBondContact O-N 2.73Å; N81-S85 WeakPolarHBondContact O-CB 3.3Å; N81-S85 PolarHBondContact O-N 3.47Å; N81-S85 PolarHBondContact O-OG 3.29Å |
| 82 | E | 90 | Very high | 88.3 | Confident | 85 Ų | 85 | 120.1 Ų | 120.1 | 40% | 0.397 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.5 | -49.7 | 175.2 | -77.3 | 167.7 | -173.4 | 0 | 0 | 110.3 | K78 L79 E80 R84 S85 E86 | K78-E82 IonicContact NZ-OE1 2.68Å; K78-E82 PolarHBondContact NZ-OE1 2.97Å; K78-E82 WeakPolarHBondContact O-CB 3.28Å; K78-E82 WeakPolarHBondContact O-CG 3.04Å; K78-E82 PolarHBondContact O-N 3.28Å; L79-E82 PolarHBondContact O-N 3.29Å; E80-E82 VanDerWaalsContact C-N 3.33Å; E80-E82 PolarHBondContact O-N 3Å; E82-R84 PolarHBondContact O-N 3.03Å; E82-S85 WeakPolarHBondContact CA-OG 3.32Å; E82-S85 PolarHBondContact O-N 3.26Å; E82-S85 PolarHBondContact O-OG 2.94Å; E82-E86 PolarHBondContact O-N 3.42Å; E82-E86 VanDerWaalsContact O-N 3.08Å |
| 83 | R | 89.1 | Confident | 87.9 | Confident | 180 Ų | 180 | 119.5 Ų | 119.5 | 68% | 0.679 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58 | -46.4 | 174.5 | -68.9 | 174.6 | -175.1 | 177.1 | 1 | 112.6 | L79 E80 S85 E86 | L79-R83 WeakPolarHBondContact O-CG 3.46Å; L79-R83 PolarHBondContact O-N 2.91Å; E80-R83 PolarHBondContact O-N 3.38Å; R83-S85 VanDerWaalsContact C-N 3.32Å; R83-S85 PolarHBondContact O-N 3.04Å; R83-E86 PolarHBondContact O-N 2.67Å |
| 84 | R | 84.6 | Confident | 87.3 | Confident | 156 Ų | 156 | 118.1 Ų | 118.1 | 59% | 0.589 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.2 | -33 | 178.4 | -71.7 | -179.6 | -174.5 | -160.1 | 3 | 112.2 | E80 N81 E82 E86 I87 | E80-R84 HydrophobicContact CG-CG 4.5Å; E80-R84 WeakPolarHBondContact O-CB 3.46Å; E80-R84 WeakPolarHBondContact O-CG 3.4Å; E80-R84 PolarHBondContact O-N 3.01Å; E80-R84 IonicContact OE1-CZ 3.25Å; E80-R84 VanDerWaalsContact OE1-CZ 3.25Å; E80-R84 IonicContact OE1-NE 3.24Å; E80-R84 PolarHBondContact OE1-NE 3.15Å; E80-R84 IonicContact OE1-NH2 2.65Å; E80-R84 PolarHBondContact OE1-NH2 3.31Å; N81-R84 PolarHBondContact O-N 2.73Å; E82-R84 PolarHBondContact O-N 3.03Å; R84-E86 VanDerWaalsContact C-N 3.35Å; R84-I87 PolarHBondContact O-N 3.46Å |
| 85 | S | 80.6 | Confident | 87 | Confident | 91 Ų | 91 | 112.1 Ų | 112.1 | 64% | 0.636 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -73 | -27.8 | 179.6 | 69.4 | 0 | 0 | 0 | 0 | 113.2 | N81 E82 R83 | N81-S85 WeakPolarHBondContact O-CB 3.3Å; N81-S85 PolarHBondContact O-N 3.47Å; N81-S85 PolarHBondContact O-OG 3.29Å; E82-S85 WeakPolarHBondContact CA-OG 3.32Å; E82-S85 PolarHBondContact O-N 3.26Å; E82-S85 PolarHBondContact O-OG 2.94Å; R83-S85 VanDerWaalsContact C-N 3.32Å; R83-S85 PolarHBondContact O-N 3.04Å |
| 86 | E | 81.2 | Confident | 86.5 | Confident | 162 Ų | 162 | 109.3 Ų | 109.3 | 76% | 0.757 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.9 | -30.5 | 171.3 | -172 | 169.5 | -158.1 | 0 | 0 | 111.4 | E82 R83 R84 V88 | E82-E86 PolarHBondContact O-N 3.42Å; E82-E86 VanDerWaalsContact O-N 3.08Å; R83-E86 PolarHBondContact O-N 2.67Å; R84-E86 VanDerWaalsContact C-N 3.35Å; E86-V88 PolarHBondContact O-N 2.91Å; E86-V88 VanDerWaalsContact O-N 3.09Å |
| 87 | I | 80.5 | Confident | 86 | Confident | 125 Ų | 125 | 106.4 Ų | 106.4 | 64% | 0.641 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -77.2 | 96.9 | 175.8 | -57.4 | 170 | 0 | 0 | 0 | 109.5 | R84 | R84-I87 PolarHBondContact O-N 3.46Š|
| 88 | V | 75.3 | Confident | 85.6 | Confident | 87 Ų | 87 | 107.1 Ų | 107.1 | 53% | 0.527 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 125.6 | 174.3 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | E86 P90 V109 | E86-V88 PolarHBondContact O-N 2.91Å; E86-V88 VanDerWaalsContact O-N 3.09Å; V88-P90 WeakPolarHBondContact O-CD 3.42Å; V88-V109 HydrophobicContact CG2-CG2 4.37Å |
| 89 | V | 76 | Confident | 85.3 | Confident | 118 Ų | 118 | 111.5 Ų | 111.5 | 72% | 0.715 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 119.9 | 169 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | I91 | V89-I91 PolarHBondContact O-N 3.11Š|
| 90 | P | 79.2 | Confident | 85 | Confident | 105 Ų | 105 | 110.5 Ų | 110.5 | 68% | 0.682 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 122.3 | 175 | -19.5 | 32.8 | 0 | 0 | 0 | 110.8 | V88 T92 | V88-P90 WeakPolarHBondContact O-CD 3.42Å; P90-T92 PolarHBondContact O-N 3.37Å |
| 91 | I | 80.3 | Confident | 84.9 | Confident | 70 Ų | 70 | 115.8 Ų | 115.8 | 36% | 0.359 | 57% | 0.572 | S | S | . | * | trans | -84.8 | 97.2 | 170.9 | -56.7 | 175.4 | 0 | 0 | 0 | 107.8 | V89 N93 K96 I97 I108 | V89-I91 PolarHBondContact O-N 3.11Å; I91-N93 WeakPolarHBondContact CG2-O 3.35Å; I91-K96 HydrophobicContact CG2-CB 4.08Å; I91-I97 HydrophobicContact CB-CG1 4.49Å; I91-I97 HydrophobicContact CD1-CG1 4.26Å; I91-I97 HydrophobicContact CG2-CD1 4.34Å; I91-I97 HydrophobicContact CG2-CG1 3.85Å; I91-I108 HydrophobicContact CD1-CD1 4.01Å; I91-I108 HydrophobicContact CD1-CG1 4.24Å | ||
| 92 | T | 83.3 | Confident | 84.8 | Confident | 127 Ų | 127 | 120.2 Ų | 120.2 | 78% | 0.779 | 59% | 0.587 | S | S | * | * | trans | -71.1 | -35.6 | 179.8 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | P90 P94 | P90-T92 PolarHBondContact O-N 3.37Å; T92-P94 WeakPolarHBondContact O-CD 3.5Å | ||
| 93 | N | 87.9 | Confident | 84.6 | Confident | 73 Ų | 73 | 124.6 Ų | 124.6 | 39% | 0.39 | 61% | 0.605 | S | S | . | * | trans | -95.3 | 112.4 | -177.4 | -177 | -10.3 | 0 | 0 | 0 | 111.3 | I91 A95 K96 | I91-N93 WeakPolarHBondContact CG2-O 3.35Å; N93-A95 VanDerWaalsContact C-N 3.25Å; N93-A95 PolarHBondContact O-N 2.94Å; N93-A95 WeakPolarHBondContact OD1-CB 3.47Å; N93-A95 PolarHBondContact OD1-N 2.98Å; N93-K96 HydrophobicContact CB-CD 4.17Å; N93-K96 HydrophobicContact CB-CG 4.08Å; N93-K96 WeakPolarHBondContact O-CB 3.36Å; N93-K96 PolarHBondContact O-N 3.08Å; N93-K96 VanDerWaalsContact O-N 3.08Å | ||
| 94 | P | 85.7 | Confident | 84.5 | Confident | 87 Ų | 87 | 120.5 Ų | 120.5 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.7 | -24.9 | 179.8 | 27.5 | -35.3 | 0 | 0 | 0 | 113.4 | T92 K96 I97 K98 | T92-P94 WeakPolarHBondContact O-CD 3.5Å; P94-K96 PolarHBondContact O-N 3.24Å; P94-I97 WeakPolarHBondContact O-CB 3.38Å; P94-I97 PolarHBondContact O-N 2.95Å; P94-I97 VanDerWaalsContact O-N 3.08Å; P94-K98 PolarHBondContact O-N 3.18Å |
| 95 | A | 89.7 | Confident | 84.6 | Confident | 40 Ų | 40 | 117 Ų | 117 | 33% | 0.331 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.3 | -25.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N93 R99 | N93-A95 VanDerWaalsContact C-N 3.25Å; N93-A95 PolarHBondContact O-N 2.94Å; N93-A95 WeakPolarHBondContact OD1-CB 3.47Å; N93-A95 PolarHBondContact OD1-N 2.98Å; A95-R99 WeakPolarHBondContact O-CG 3.33Å; A95-R99 PolarHBondContact O-N 3.12Å |
| 96 | K | 86.6 | Confident | 84.7 | Confident | 125 Ų | 125 | 123 Ų | 123 | 54% | 0.543 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.1 | -43.2 | 172.9 | -67.5 | -178.3 | 177.5 | 178.9 | 0 | 110.8 | I91 N93 P94 K98 R99 L100 | I91-K96 HydrophobicContact CG2-CB 4.08Å; N93-K96 HydrophobicContact CB-CD 4.17Å; N93-K96 HydrophobicContact CB-CG 4.08Å; N93-K96 WeakPolarHBondContact O-CB 3.36Å; N93-K96 PolarHBondContact O-N 3.08Å; N93-K96 VanDerWaalsContact O-N 3.08Å; P94-K96 PolarHBondContact O-N 3.24Å; K96-K98 VanDerWaalsContact C-N 3.31Å; K96-K98 PolarHBondContact O-N 2.91Å; K96-R99 PolarHBondContact O-N 2.98Å; K96-R99 VanDerWaalsContact O-N 3.15Å; K96-L100 WeakPolarHBondContact O-CG 3.35Å; K96-L100 PolarHBondContact O-N 3.13Å |
| 97 | I | 86.2 | Confident | 84.6 | Confident | 61 Ų | 61 | 120.8 Ų | 120.8 | 31% | 0.313 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -58.9 | -44.3 | -179.9 | -56.4 | 177.2 | 0 | 0 | 0 | 110.7 | I91 P94 R99 L100 I108 | I91-I97 HydrophobicContact CB-CG1 4.49Å; I91-I97 HydrophobicContact CD1-CG1 4.26Å; I91-I97 HydrophobicContact CG2-CD1 4.34Å; I91-I97 HydrophobicContact CG2-CG1 3.85Å; P94-I97 WeakPolarHBondContact O-CB 3.38Å; P94-I97 PolarHBondContact O-N 2.95Å; P94-I97 VanDerWaalsContact O-N 3.08Å; I97-R99 VanDerWaalsContact C-N 3.25Å; I97-R99 PolarHBondContact O-N 3.09Å; I97-L100 WeakPolarHBondContact O-CB 3.43Å; I97-L100 PolarHBondContact O-N 2.88Å; I97-I108 HydrophobicContact CG2-CD1 4.19Å |
| 98 | K | 87.4 | Confident | 84.7 | Confident | 188 Ų | 188 | 117.5 Ų | 117.5 | 82% | 0.817 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.7 | -26.4 | -179.7 | -64.5 | -175.1 | 179.4 | -177.4 | 0 | 114 | P94 K96 | P94-K98 PolarHBondContact O-N 3.18Å; K96-K98 VanDerWaalsContact C-N 3.31Å; K96-K98 PolarHBondContact O-N 2.91Å |
| 99 | R | 88.9 | Confident | 84.6 | Confident | 218 Ų | 218 | 118.2 Ų | 118.2 | 82% | 0.823 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -86.2 | -12.3 | 179.3 | -66.6 | 177.1 | -173.2 | -180 | 1.9 | 113.4 | A95 K96 I97 | A95-R99 WeakPolarHBondContact O-CG 3.33Å; A95-R99 PolarHBondContact O-N 3.12Å; K96-R99 PolarHBondContact O-N 2.98Å; K96-R99 VanDerWaalsContact O-N 3.15Å; I97-R99 VanDerWaalsContact C-N 3.25Å; I97-R99 PolarHBondContact O-N 3.09Å |
| 100 | L | 88.2 | Confident | 84.3 | Confident | 51 Ų | 51 | 118.6 Ų | 118.6 | 27% | 0.267 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -73.2 | 146.5 | -177.1 | -68.8 | 173.1 | 0 | 0 | 0 | 111.5 | K96 I97 Q104 M105 I108 | K96-L100 WeakPolarHBondContact O-CG 3.35Å; K96-L100 PolarHBondContact O-N 3.13Å; I97-L100 WeakPolarHBondContact O-CB 3.43Å; I97-L100 PolarHBondContact O-N 2.88Å; L100-Q104 HydrophobicContact CB-CB 4.13Å; L100-Q104 HydrophobicContact CD2-CB 4.18Å; L100-M105 HydrophobicContact CB-CG 4.27Å; L100-I108 HydrophobicContact CD1-CD1 3.79Å |
| 101 | R | 90.6 | Very high | 83.6 | Confident | 201 Ų | 201 | 128.7 Ų | 128.7 | 76% | 0.758 | 61% | 0.606 | S | S | * | * | trans | -70.6 | 153.2 | 172 | -66.3 | -179.4 | 176 | 175.1 | -1.2 | 110.2 | K103 Q104 M105 | R101-K103 PolarHBondContact O-N 3.2Å; R101-Q104 WeakPolarHBondContact O-CB 3.26Å; R101-Q104 PolarHBondContact O-N 3.04Å; R101-M105 PolarHBondContact O-N 3.44Å | ||
| 102 | K | 89 | Confident | 83.7 | Confident | 174 Ų | 174 | 131.7 Ų | 131.7 | 76% | 0.757 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -48 | -38.1 | 177.8 | -72 | -173.4 | 178.4 | -179.2 | 0 | 114 | Q104 M105 | K102-Q104 PolarHBondContact O-N 3Å; K102-M105 HydrophobicContact CB-CE 4.33Å; K102-M105 HydrophobicContact CG-CE 3.94Å; K102-M105 PolarHBondContact O-N 2.9Å |
| 103 | K | 87.1 | Confident | 83.7 | Confident | 177 Ų | 177 | 131.9 Ų | 131.9 | 77% | 0.77 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.1 | -37.1 | 177.8 | -172.3 | 177.1 | 179.3 | 179.6 | 0 | 113.1 | R101 | R101-K103 PolarHBondContact O-N 3.2Å |
| 104 | Q | 86.4 | Confident | 83.5 | Confident | 94 Ų | 94 | 135.2 Ų | 135.2 | 44% | 0.439 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -77 | -29.5 | 179.3 | -65.2 | 169.3 | -56 | 0 | 0 | 111.9 | L100 R101 K102 R106 T107 | L100-Q104 HydrophobicContact CB-CB 4.13Å; L100-Q104 HydrophobicContact CD2-CB 4.18Å; R101-Q104 WeakPolarHBondContact O-CB 3.26Å; R101-Q104 PolarHBondContact O-N 3.04Å; K102-Q104 PolarHBondContact O-N 3Å; Q104-R106 VanDerWaalsContact C-N 3.26Å; Q104-R106 PolarHBondContact O-N 3.25Å; Q104-T107 PolarHBondContact O-N 3.25Å; Q104-T107 PolarHBondContact O-OG1 3.22Å |
| 105 | M | 85.5 | Confident | 83.4 | Confident | 83 Ų | 83 | 138 Ų | 138 | 41% | 0.409 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.1 | -31.3 | 174.7 | -72.1 | -168.3 | -72.9 | 0 | 0 | 112.7 | L100 R101 K102 T107 I108 | L100-M105 HydrophobicContact CB-CG 4.27Å; R101-M105 PolarHBondContact O-N 3.44Å; K102-M105 HydrophobicContact CB-CE 4.33Å; K102-M105 HydrophobicContact CG-CE 3.94Å; K102-M105 PolarHBondContact O-N 2.9Å; M105-T107 PolarHBondContact O-N 3.43Å; M105-T107 VanDerWaalsContact O-N 3.13Å; M105-I108 PolarHBondContact O-N 3.07Å; M105-I108 VanDerWaalsContact O-N 3.15Å |
| 106 | R | 83.2 | Confident | 83 | Confident | 216 Ų | 216 | 144.1 Ų | 144.1 | 82% | 0.815 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -20.3 | 179.7 | -67 | -178.9 | -177.6 | 178.6 | -1.1 | 114.3 | Q104 | Q104-R106 VanDerWaalsContact C-N 3.26Å; Q104-R106 PolarHBondContact O-N 3.25Å |
| 107 | T | 80.3 | Confident | 82.7 | Confident | 116 Ų | 116 | 145.4 Ų | 145.4 | 71% | 0.712 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -3.5 | -178.8 | 54 | 0 | 0 | 0 | 0 | 113.2 | Q104 M105 V109 | Q104-T107 PolarHBondContact O-N 3.25Å; Q104-T107 PolarHBondContact O-OG1 3.22Å; M105-T107 PolarHBondContact O-N 3.43Å; M105-T107 VanDerWaalsContact O-N 3.13Å; T107-V109 PolarHBondContact O-N 2.99Å |
| 108 | I | 81.1 | Confident | 82.5 | Confident | 57 Ų | 57 | 151.4 Ų | 151.4 | 29% | 0.292 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -79.6 | 120.5 | 177.5 | -58.4 | 175 | 0 | 0 | 0 | 107.9 | I91 I97 L100 M105 | I91-I108 HydrophobicContact CD1-CD1 4.01Å; I91-I108 HydrophobicContact CD1-CG1 4.24Å; I97-I108 HydrophobicContact CG2-CD1 4.19Å; L100-I108 HydrophobicContact CD1-CD1 3.79Å; M105-I108 PolarHBondContact O-N 3.07Å; M105-I108 VanDerWaalsContact O-N 3.15Å |
| 109 | V | 73.6 | Confident | 82.1 | Confident | 101 Ų | 101 | 148.6 Ų | 148.6 | 61% | 0.612 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 120.5 | 170 | 179.9 | 0 | 0 | 0 | 0 | 108 | V88 T107 | V88-V109 HydrophobicContact CG2-CG2 4.37Å; T107-V109 PolarHBondContact O-N 2.99Å |
| 110 | T | 70.4 | Confident | 81.6 | Confident | 127 Ų | 127 | 142.8 Ų | 142.8 | 78% | 0.779 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 124.6 | 163 | 41.9 | 0 | 0 | 0 | 0 | 107.9 | ||
| 111 | R | 63.4 | Low | 81 | Confident | 317 Ų | 317 | 151.2 Ų | 151.2 | 100% | 1.196 | 69% | 0.685 | S | S | * | * | trans | -64.8 | 0 | 169.1 | -129.1 | -176.6 | -165.4 | 164.4 | 2.6 | 110.5 |
Retrieved 111 of 111 residues in 23.3 ms
(Link to these results)