| 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 | 40 | Very low | 43.4 | Very low | 243 Ų | 243 | 150.1 Ų | 150.1 | 100% | 1.197 | 82% | 0.818 | S | S | * | * | 0 | 117.8 | 0 | -84 | 151.4 | 175.1 | 0 | 0 | 106.2 | |||||
| 2 | E | 38.3 | Very low | 43.7 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -58.2 | 139.4 | -175 | -76.8 | 167.2 | 93.9 | 0 | 0 | 112.1 | ||||
| 3 | L | 44.3 | Very low | 44 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -90.6 | 110.9 | 162.2 | -68.1 | 171.2 | 0 | 0 | 0 | 106.3 | D5 | L3-D5 PolarHBondContact O-N 3.32Š| ||
| 4 | S | 46.6 | Very low | 44.3 | Very low | 101 Ų | 101 | 140.6 Ų | 140.6 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -74.1 | 116 | 173.8 | -54.7 | 0 | 0 | 0 | 0 | 109.5 | I6 | S4-I6 PolarHBondContact O-N 2.85Š| ||
| 5 | D | 42.4 | Very low | 44.6 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -58 | 112.7 | 167.3 | -80.1 | -54.1 | 0 | 0 | 0 | 110.2 | L3 S7 | L3-D5 PolarHBondContact O-N 3.32Å; D5-S7 PolarHBondContact O-N 3.13Å | ||
| 6 | I | 45.8 | Very low | 44.5 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | trans | -81 | 93.1 | 170.7 | -54.3 | 111.3 | 0 | 0 | 0 | 107.3 | S4 F8 | S4-I6 PolarHBondContact O-N 2.85Å; I6-F8 HydrophobicContact CB-CE2 4.41Å; I6-F8 HydrophobicContact CG2-CD2 4.29Å; I6-F8 HydrophobicContact CG2-CE2 3.93Å; I6-F8 HydrophobicContact CG2-CZ 4.11Å; I6-F8 PolarHBondContact O-N 3.19Å; I6-F8 VanDerWaalsContact O-N 3.1Å | ||
| 7 | S | 42.3 | Very low | 44.8 | Very low | 108 Ų | 108 | 146.7 Ų | 146.7 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -67.1 | 103.9 | 168.8 | -67.9 | 0 | 0 | 0 | 0 | 109.5 | D5 S9 | D5-S7 PolarHBondContact O-N 3.13Å; S7-S9 PolarHBondContact O-N 3.26Å | ||
| 8 | F | 41.8 | Very low | 44.9 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 77% | 0.768 | 79% | 0.79 | S | S | * | * | trans | -74.1 | 111.5 | 165.6 | -72.6 | -84.5 | 0 | 0 | 0 | 108.8 | I6 I10 | I6-F8 HydrophobicContact CB-CE2 4.41Å; I6-F8 HydrophobicContact CG2-CD2 4.29Å; I6-F8 HydrophobicContact CG2-CE2 3.93Å; I6-F8 HydrophobicContact CG2-CZ 4.11Å; I6-F8 PolarHBondContact O-N 3.19Å; I6-F8 VanDerWaalsContact O-N 3.1Å; F8-I10 PolarHBondContact O-N 3.37Å; F8-I10 VanDerWaalsContact O-N 3.09Å | ||
| 9 | S | 43.6 | Very low | 45.1 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -66.7 | 104.6 | 166.2 | -64.7 | 0 | 0 | 0 | 0 | 108.8 | S7 P11 | S7-S9 PolarHBondContact O-N 3.26Å; S9-P11 WeakPolarHBondContact O-CD 3.49Å | ||
| 10 | I | 46.7 | Very low | 45.5 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 80% | 0.795 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 118.6 | 167.6 | -54.9 | 172.5 | 0 | 0 | 0 | 106.4 | F8 S12 | F8-I10 PolarHBondContact O-N 3.37Å; F8-I10 VanDerWaalsContact O-N 3.09Å; I10-S12 PolarHBondContact O-N 2.72Å |
| 11 | P | 46.1 | Very low | 45.7 | Very low | 100 Ų | 100 | 140 Ų | 140 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -66 | 134.1 | 173.8 | 26.1 | -30.2 | 0 | 0 | 0 | 109.4 | S9 | S9-P11 WeakPolarHBondContact O-CD 3.49Š|
| 12 | S | 46.3 | Very low | 45.9 | Very low | 84 Ų | 84 | 136.8 Ų | 136.8 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 149.5 | 176.4 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | I10 D14 D15 | I10-S12 PolarHBondContact O-N 2.72Å; S12-D14 PolarHBondContact O-N 3.02Å; S12-D15 PolarHBondContact O-N 3Å |
| 13 | A | 48.2 | Very low | 46.1 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 78% | 0.777 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -0.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 14 | D | 48.5 | Very low | 46.1 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -21.9 | 176 | -102.9 | -58.7 | 0 | 0 | 0 | 114 | S12 F16 | S12-D14 PolarHBondContact O-N 3.02Å; D14-F16 PolarHBondContact O-N 3.47Å |
| 15 | D | 47.8 | Very low | 46.4 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 67% | 0.674 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -78 | -2.5 | 178.3 | -97.1 | -36 | 0 | 0 | 0 | 113.5 | S12 Y17 | S12-D15 PolarHBondContact O-N 3Å; D15-Y17 VanDerWaalsContact C-N 3.29Å; D15-Y17 PolarHBondContact O-N 3.24Å |
| 16 | F | 44.1 | Very low | 46.5 | Very low | 183 Ų | 183 | 127.1 Ų | 127.1 | 80% | 0.803 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -80.7 | -8.4 | -179.6 | -158.1 | -97 | 0 | 0 | 0 | 113.3 | D14 | D14-F16 PolarHBondContact O-N 3.47Š|
| 17 | Y | 48.9 | Very low | 46.9 | Very low | 217 Ų | 217 | 127.3 Ų | 127.3 | 85% | 0.851 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -100.9 | -3.2 | -175.9 | -100.7 | -84.2 | 0 | 0 | 0 | 115.4 | D15 D19 | D15-Y17 VanDerWaalsContact C-N 3.29Å; D15-Y17 PolarHBondContact O-N 3.24Å; Y17-D19 PolarHBondContact O-N 2.9Å |
| 18 | D | 47.4 | Very low | 47.4 | Very low | 148 Ų | 148 | 127.4 Ų | 127.4 | 79% | 0.791 | 69% | 0.689 | S | S | * | * | trans | -99.8 | 48.4 | 178.1 | -116 | -53.6 | 0 | 0 | 0 | 111.9 | P20 | D18-P20 WeakPolarHBondContact O-CD 3.4Š| ||
| 19 | D | 48.1 | Very low | 47.8 | Very low | 78 Ų | 78 | 126.2 Ų | 126.2 | 42% | 0.417 | 68% | 0.684 | S | S | . | * | trans | -84.3 | 115.6 | 169.2 | -168.5 | 4.5 | 0 | 0 | 0 | 109.2 | Y17 C21 F22 | Y17-D19 PolarHBondContact O-N 2.9Å; D19-C21 PolarHBondContact O-N 2.83Å; D19-C21 PolarHBondContact OD1-N 3.31Å; D19-C21 PolarHBondContact OD1-SG 3.44Å; D19-F22 PolarHBondContact O-N 2.69Å | ||
| 20 | P | 53 | Low | 47.7 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -63 | -7.1 | 178.3 | 25.8 | -34.4 | 0 | 0 | 0 | 113.2 | D18 F22 | D18-P20 WeakPolarHBondContact O-CD 3.4Å; P20-F22 VanDerWaalsContact C-N 3.32Å |
| 21 | C | 48.8 | Very low | 47.8 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 70% | 0.696 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -73.8 | -16.1 | 172.4 | -64.1 | 0 | 0 | 0 | 0 | 114.5 | D19 | D19-C21 PolarHBondContact O-N 2.83Å; D19-C21 PolarHBondContact OD1-N 3.31Å; D19-C21 PolarHBondContact OD1-SG 3.44Å |
| 22 | F | 44.3 | Very low | 47.9 | Very low | 176 Ų | 176 | 130.2 Ų | 130.2 | 77% | 0.772 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -119.6 | 26.9 | -177.5 | -84.1 | -81.5 | 0 | 0 | 0 | 113.6 | D19 P20 T24 | D19-F22 PolarHBondContact O-N 2.69Å; P20-F22 VanDerWaalsContact C-N 3.32Å; F22-T24 PolarHBondContact O-N 3.47Å; F22-T24 VanDerWaalsContact O-N 3.09Å |
| 23 | N | 43.2 | Very low | 47.9 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 58% | 0.583 | 69% | 0.685 | S | S | * | * | trans | -60.9 | 119.1 | 177 | -156.7 | -1.7 | 0 | 0 | 0 | 110.4 | T25 D26 | N23-T25 VanDerWaalsContact CG-OG1 3.31Å; N23-T25 PolarHBondContact ND2-OG1 3.4Å; N23-T25 PolarHBondContact O-N 2.96Å; N23-T25 PolarHBondContact OD1-OG1 3Å; N23-D26 PolarHBondContact O-N 3.16Å | ||
| 24 | T | 44.7 | Very low | 47.9 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 64% | 0.638 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -64.8 | -0.2 | -176.3 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | F22 D26 M27 | F22-T24 PolarHBondContact O-N 3.47Å; F22-T24 VanDerWaalsContact O-N 3.09Å; T24-D26 PolarHBondContact O-N 3.3Å; T24-M27 WeakPolarHBondContact O-CB 3.36Å; T24-M27 PolarHBondContact O-N 3.48Å |
| 25 | T | 52.3 | Low | 48.1 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 55% | 0.552 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -60.6 | -20 | 172.4 | -36.5 | 0 | 0 | 0 | 0 | 113.3 | N23 M27 H28 | N23-T25 VanDerWaalsContact CG-OG1 3.31Å; N23-T25 PolarHBondContact ND2-OG1 3.4Å; N23-T25 PolarHBondContact O-N 2.96Å; N23-T25 PolarHBondContact OD1-OG1 3Å; T25-M27 PolarHBondContact O-N 2.97Å; T25-H28 PolarHBondContact O-N 3.39Å |
| 26 | D | 45.6 | Very low | 47.9 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 61% | 0.61 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -77.8 | -3.7 | 173.1 | -160.4 | 38.3 | 0 | 0 | 0 | 113.5 | N23 T24 | N23-D26 PolarHBondContact O-N 3.16Å; T24-D26 PolarHBondContact O-N 3.3Å |
| 27 | M | 53.9 | Low | 47.9 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -90 | -11.2 | 172.2 | -64.5 | -68 | 89.9 | 0 | 0 | 113.3 | T24 T25 F29 | T24-M27 WeakPolarHBondContact O-CB 3.36Å; T24-M27 PolarHBondContact O-N 3.48Å; T25-M27 PolarHBondContact O-N 2.97Å; M27-F29 PolarHBondContact O-N 3.3Å |
| 28 | H | 51.2 | Low | 47.9 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 51% | 0.509 | 66% | 0.662 | S | S | . | * | G | 310 helix | trans | -81.6 | 3.8 | 173.7 | -72.5 | -68 | 0 | 0 | 0 | 114 | T25 F30 E31 | T25-H28 PolarHBondContact O-N 3.39Å; H28-F30 PolarHBondContact O-N 3.42Å; H28-F30 VanDerWaalsContact O-N 3.1Å; H28-E31 IonicContact CE1-OE2 3.67Å; H28-E31 IonicContact CG-OE2 3.27Å; H28-E31 IonicContact ND1-OE2 2.83Å; H28-E31 PolarHBondContact ND1-OE2 3.39Å; H28-E31 PolarHBondContact O-N 3.28Å |
| 29 | F | 50.5 | Low | 47.8 | Very low | 149 Ų | 149 | 128.1 Ų | 128.1 | 65% | 0.654 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -60.9 | -20.4 | 178.6 | -177.6 | -100.9 | 0 | 0 | 0 | 114.1 | M27 | M27-F29 PolarHBondContact O-N 3.3Š|
| 30 | F | 43.1 | Very low | 47.5 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 72% | 0.719 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -89.3 | -15.5 | -178.6 | -77.2 | -85.9 | 0 | 0 | 0 | 114.8 | H28 | H28-F30 PolarHBondContact O-N 3.42Å; H28-F30 VanDerWaalsContact O-N 3.1Å |
| 31 | E | 48.8 | Very low | 46.7 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 67% | 0.673 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -15.6 | -177.6 | -81.7 | 164.8 | 136.6 | 0 | 0 | 113.6 | H28 L33 | H28-E31 IonicContact CE1-OE2 3.67Å; H28-E31 IonicContact CG-OE2 3.27Å; H28-E31 IonicContact ND1-OE2 2.83Å; H28-E31 PolarHBondContact ND1-OE2 3.39Å; H28-E31 PolarHBondContact O-N 3.28Å; E31-L33 VanDerWaalsContact C-N 3.27Å; E31-L33 PolarHBondContact O-N 3.45Å |
| 32 | D | 47.2 | Very low | 46.1 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 80% | 0.802 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 12.8 | 175.8 | -74 | -31.3 | 0 | 0 | 0 | 113.8 | D34 | D32-D34 PolarHBondContact O-N 3.38Å; D32-D34 VanDerWaalsContact O-N 3.08Å |
| 33 | L | 46.5 | Very low | 45.8 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -69.3 | 104.5 | 161.8 | -97.5 | 84.7 | 0 | 0 | 0 | 108.5 | E31 P35 | E31-L33 VanDerWaalsContact C-N 3.27Å; E31-L33 PolarHBondContact O-N 3.45Å; L33-P35 WeakPolarHBondContact O-CD 3.47Å; L33-P35 VanDerWaalsContact O-N 3.07Å |
| 34 | D | 48.1 | Very low | 45.4 | Very low | 88 Ų | 88 | 133 Ų | 133 | 47% | 0.471 | 69% | 0.685 | S | S | . | * | trans | -32.3 | 108.2 | 176.5 | -171.6 | -4.9 | 0 | 0 | 0 | 113 | D32 R36 L37 | D32-D34 PolarHBondContact O-N 3.38Å; D32-D34 VanDerWaalsContact O-N 3.08Å; D34-R36 PolarHBondContact O-N 3.12Å; D34-R36 WeakPolarHBondContact OD1-CB 3.45Å; D34-R36 WeakPolarHBondContact OD1-CG 3.47Å; D34-R36 PolarHBondContact OD1-N 3.3Å; D34-L37 PolarHBondContact O-N 2.99Å | ||
| 35 | P | 51.8 | Low | 44.8 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 64% | 0.643 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -65 | -4.4 | -179.5 | 22.6 | -30.3 | 0 | 0 | 0 | 113.1 | L33 L37 | L33-P35 WeakPolarHBondContact O-CD 3.47Å; L33-P35 VanDerWaalsContact O-N 3.07Å; P35-L37 VanDerWaalsContact C-N 3.3Å |
| 36 | R | 44.8 | Very low | 43.8 | Very low | 201 Ų | 201 | 135.9 Ų | 135.9 | 76% | 0.758 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -78.4 | -11.8 | 172.5 | -56.9 | 177.9 | 66.1 | 158.4 | 1.7 | 113.5 | D34 | D34-R36 PolarHBondContact O-N 3.12Å; D34-R36 WeakPolarHBondContact OD1-CB 3.45Å; D34-R36 WeakPolarHBondContact OD1-CG 3.47Å; D34-R36 PolarHBondContact OD1-N 3.3Å |
| 37 | L | 43.9 | Very low | 43.3 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -89.4 | -4.9 | 178.4 | -127.9 | 74.1 | 0 | 0 | 0 | 114.1 | D34 P35 | D34-L37 PolarHBondContact O-N 2.99Å; P35-L37 VanDerWaalsContact C-N 3.3Å |
| 38 | V | 49.7 | Very low | 42.2 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 71% | 0.709 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -94.3 | -8.1 | 179.9 | -133.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 39 | H | 45.3 | Very low | 41.1 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | trans | -118.7 | 72.6 | -178.4 | -87.6 | 88.7 | 0 | 0 | 0 | 112.4 | ||||
| 40 | V | 41.5 | Very low | 40.4 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -127.4 | 101.6 | 159.8 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | ||
| 41 | V | 36.5 | Very low | 40.8 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 66% | 0.661 | 74% | 0.736 | S | S | * | * | trans | 78.1 | 96.1 | 164.7 | -170.5 | 0 | 0 | 0 | 0 | 117.3 | L43 | V41-L43 HydrophobicContact CG1-CD2 4.34Å; V41-L43 HydrophobicContact CG1-CG 4.29Å | ||
| 42 | P | 36.3 | Very low | 39.9 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 122.9 | 134.2 | 15.4 | 3 | 0 | 0 | 0 | 108.6 | K44 | P42-K44 PolarHBondContact O-N 3Š|
| 43 | L | 37.8 | Very low | 39.3 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 126.9 | 161.5 | -68.3 | 169.4 | 0 | 0 | 0 | 108.2 | V41 | V41-L43 HydrophobicContact CG1-CD2 4.34Å; V41-L43 HydrophobicContact CG1-CG 4.29Å |
| 44 | K | 33 | Very low | 38.6 | Very low | 179 Ų | 179 | 128.4 Ų | 128.4 | 78% | 0.778 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 136.6 | 175.9 | 171.8 | 168.6 | 162.1 | 163.3 | 0 | 110.5 | P42 | P42-K44 PolarHBondContact O-N 3Š|
| 45 | P | 32 | Very low | 37.9 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 127.9 | 140.9 | 20.8 | -5.3 | 0 | 0 | 0 | 109.3 | ||
| 46 | E | 31.8 | Very low | 37.2 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | trans | -12.7 | 121.5 | 152.8 | 34.4 | -100.3 | 65.6 | 0 | 0 | 117.5 | ||||
| 47 | D | 34.8 | Very low | 36.7 | Very low | 147 Ų | 147 | 124.7 Ų | 124.7 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | 176.2 | 148.8 | 108.9 | -94.6 | -41.5 | 0 | 0 | 0 | 113.1 | |||||
| 48 | S | 32 | Very low | 36.3 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | 78.1 | 99.4 | 162.9 | 57.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 49 | C | 27.8 | Very low | 35.7 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | trans | 54 | 119.3 | 138 | -72.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 50 | S | 36.2 | Very low | 35.7 | Very low | 120 Ų | 120 | 120.9 Ų | 120.9 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -140.7 | 134.7 | 138 | -65 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 51 | P | 50.2 | Low | 35.3 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | -95.8 | 130.3 | 168.2 | 33.9 | -24.8 | 0 | 0 | 0 | 109.1 | ||||
| 52 | S | 31.6 | Very low | 36.3 | Very low | 106 Ų | 106 | 121.2 Ų | 121.2 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | 163.4 | 122 | 116.5 | 47.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 53 | S | 34 | Very low | 36.1 | Very low | 107 Ų | 107 | 122.2 Ų | 122.2 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 44.3 | 134.8 | 139.8 | 47.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 54 | S | 31.9 | Very low | 36.1 | Very low | 105 Ų | 105 | 120.1 Ų | 120.1 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | cis | 173.8 | 138.2 | 13.2 | 35 | 0 | 0 | 0 | 0 | 102.6 | ||||
| 55 | S | 34 | Very low | 36.1 | Very low | 102 Ų | 102 | 120 Ų | 120 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | 167.6 | 138.4 | 81.5 | -45.3 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 56 | S | 35.5 | Very low | 36.5 | Very low | 104 Ų | 104 | 121.7 Ų | 121.7 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 47 | 102.4 | 146.7 | 55.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 57 | S | 34.7 | Very low | 36.7 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | 68.1 | 95.9 | 82.1 | 71.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 58 | S | 36.2 | Very low | 36.7 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | 82.4 | 108.4 | 87.2 | -56.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 59 | S | 36 | Very low | 37.1 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | 172.6 | 144.8 | 107.2 | -74.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 60 | P | 46.3 | Very low | 37.5 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -100.3 | 160.9 | 177 | 38.1 | -30.2 | 0 | 0 | 0 | 112.5 | ||||
| 61 | S | 33.3 | Very low | 37.4 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -144 | 148.4 | 157.2 | -77.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 62 | P | 57.8 | Low | 36.9 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -102.7 | 153.4 | -162.1 | 38.1 | -29.3 | 0 | 0 | 0 | 112.3 | ||||
| 63 | C | 30.2 | Very low | 37.6 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 89% | 0.892 | 77% | 0.768 | S | S | * | * | trans | -170.8 | 125.7 | 147.7 | -104.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 64 | S | 38.9 | Very low | 37.7 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -17 | 143.7 | 160.9 | -44.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 65 | H | 32.1 | Very low | 38 | Very low | 177 Ų | 177 | 132.4 Ų | 132.4 | 82% | 0.819 | 77% | 0.772 | S | S | * | * | trans | -158.2 | 135.1 | 130.4 | -146.7 | -79.6 | 0 | 0 | 0 | 113.9 | ||||
| 66 | L | 41.7 | Very low | 38.1 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | -64.7 | 154.8 | 177.7 | -68 | 97.6 | 0 | 0 | 0 | 114.2 | ||||
| 67 | H | 35.9 | Very low | 38.4 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | -166.4 | 123.3 | 121.3 | -129.2 | -134.2 | 0 | 0 | 0 | 116 | |||||
| 68 | H | 33.4 | Very low | 38.7 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 65% | 0.653 | 78% | 0.778 | S | S | * | * | trans | 70.5 | 98.3 | 136 | -100.3 | -77 | 0 | 0 | 0 | 123.7 | ||||
| 69 | Q | 41.4 | Very low | 39.2 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | -42.9 | 130.2 | 135.9 | -175.2 | 174.8 | 19.5 | 0 | 0 | 113.6 | ||||
| 70 | L | 35.8 | Very low | 39.5 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -153.3 | 115 | 150.2 | -91.4 | 178.5 | 0 | 0 | 0 | 111.2 | ||||
| 71 | Q | 34.3 | Very low | 39.5 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | 43.8 | 121.7 | 145.6 | -96.3 | 67.1 | 12.1 | 0 | 0 | 123.6 | ||||
| 72 | H | 39.8 | Very low | 40.4 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | trans | -54.9 | 161.9 | 155.1 | -124.2 | -124.2 | 0 | 0 | 0 | 112.8 | E74 | H72-E74 IonicContact CE1-OE1 3.9Å; H72-E74 PolarHBondContact CE1-OE1 2.94Å; H72-E74 VanDerWaalsContact CE1-OE1 3.27Å; H72-E74 IonicContact CG-OE1 3.32Å; H72-E74 PolarHBondContact ND1-N 2.93Å; H72-E74 VanDerWaalsContact ND1-N 3.19Å; H72-E74 IonicContact ND1-OE1 2.66Å; H72-E74 PolarHBondContact ND1-OE1 3.38Å | ||
| 73 | P | 45.3 | Very low | 39.3 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | -144.1 | 136.7 | 84.8 | 35.2 | -17 | 0 | 0 | 0 | 116.4 | |||||
| 74 | E | 36.7 | Very low | 40 | Very low | 154 Ų | 154 | 146.6 Ų | 146.6 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | trans | 34.6 | 97.5 | 130.6 | -46.1 | -59.1 | 109.2 | 0 | 0 | 117.3 | H72 | H72-E74 IonicContact CE1-OE1 3.9Å; H72-E74 PolarHBondContact CE1-OE1 2.94Å; H72-E74 VanDerWaalsContact CE1-OE1 3.27Å; H72-E74 IonicContact CG-OE1 3.32Å; H72-E74 PolarHBondContact ND1-N 2.93Å; H72-E74 VanDerWaalsContact ND1-N 3.19Å; H72-E74 IonicContact ND1-OE1 2.66Å; H72-E74 PolarHBondContact ND1-OE1 3.38Å | ||
| 75 | A | 39.6 | Very low | 40.5 | Very low | 102 Ų | 102 | 147.5 Ų | 147.5 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -126.3 | 123.8 | 145.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 76 | E | 35.3 | Very low | 41.2 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | -42.2 | 143.6 | -164 | -68.8 | 172.7 | 121 | 0 | 0 | 115.9 | D78 | E76-D78 PolarHBondContact O-N 3.31Å; E76-D78 VanDerWaalsContact O-N 3.1Å | ||
| 77 | D | 42.1 | Very low | 41.8 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | trans | -42.1 | 107.4 | 156.8 | -138.1 | -80.5 | 0 | 0 | 0 | 110.2 | ||||
| 78 | D | 41.4 | Very low | 42.8 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 59% | 0.594 | 73% | 0.731 | S | S | * | * | trans | -128.1 | 91.8 | 158.9 | -152.5 | -49.3 | 0 | 0 | 0 | 106.7 | E76 H80 | E76-D78 PolarHBondContact O-N 3.31Å; E76-D78 VanDerWaalsContact O-N 3.1Å; D78-H80 PolarHBondContact O-N 2.82Å; D78-H80 PolarHBondContact O-ND1 3.04Å; D78-H80 IonicContact OD1-CD2 3.25Å; D78-H80 IonicContact OD1-CE1 2.81Å; D78-H80 PolarHBondContact OD1-CE1 3.29Å; D78-H80 IonicContact OD1-CG 3.76Å; D78-H80 IonicContact OD1-ND1 3.39Å; D78-H80 PolarHBondContact OD1-ND1 3.21Å; D78-H80 IonicContact OD1-NE2 2.7Å; D78-H80 PolarHBondContact OD1-NE2 3.4Å; D78-H80 IonicContact OD2-CE1 3.72Å; D78-H80 PolarHBondContact OD2-CE1 3.13Å | ||
| 79 | E | 46.2 | Very low | 44 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | trans | -58.7 | 64.8 | 169.5 | -165.2 | -175.2 | 163.4 | 0 | 0 | 110.3 | V81 | E79-V81 PolarHBondContact O-N 2.84Å; E79-V81 VanDerWaalsContact O-N 3.1Å | ||
| 80 | H | 43.1 | Very low | 44.6 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 61% | 0.606 | 73% | 0.731 | S | S | * | * | trans | -72.7 | 105.3 | 162.7 | -64.5 | 93.3 | 0 | 0 | 0 | 106.2 | D78 R82 | D78-H80 PolarHBondContact O-N 2.82Å; D78-H80 PolarHBondContact O-ND1 3.04Å; D78-H80 IonicContact OD1-CD2 3.25Å; D78-H80 IonicContact OD1-CE1 2.81Å; D78-H80 PolarHBondContact OD1-CE1 3.29Å; D78-H80 IonicContact OD1-CG 3.76Å; D78-H80 IonicContact OD1-ND1 3.39Å; D78-H80 PolarHBondContact OD1-ND1 3.21Å; D78-H80 IonicContact OD1-NE2 2.7Å; D78-H80 PolarHBondContact OD1-NE2 3.4Å; D78-H80 IonicContact OD2-CE1 3.72Å; D78-H80 PolarHBondContact OD2-CE1 3.13Å; H80-R82 PolarHBondContact O-N 3.3Å | ||
| 81 | V | 44.7 | Very low | 46.1 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | -27.5 | 102 | 165.5 | 176.9 | 0 | 0 | 0 | 0 | 109.3 | E79 V83 | E79-V81 PolarHBondContact O-N 2.84Å; E79-V81 VanDerWaalsContact O-N 3.1Å; V81-V83 PolarHBondContact O-N 3.22Å | ||
| 82 | R | 51.9 | Low | 47.9 | Very low | 229 Ų | 229 | 134.2 Ų | 134.2 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | -70 | 90.6 | 169.9 | -78.9 | -179.1 | 175.8 | 77.6 | -4 | 105.3 | H80 | H80-R82 PolarHBondContact O-N 3.3Š| ||
| 83 | V | 36.2 | Very low | 50 | Low | 115 Ų | 115 | 128.8 Ų | 128.8 | 70% | 0.697 | 71% | 0.714 | S | S | * | * | trans | -46.3 | 132.7 | 166.8 | -177.5 | 0 | 0 | 0 | 0 | 106.7 | V81 S85 | V81-V83 PolarHBondContact O-N 3.22Å; V83-S85 PolarHBondContact O-N 3.16Å | ||
| 84 | P | 44.4 | Very low | 51.7 | Low | 114 Ų | 114 | 128.3 Ų | 128.3 | 74% | 0.74 | 70% | 0.704 | S | S | * | * | trans | -42.7 | 129.1 | -172.3 | -32.5 | 35.2 | 0 | 0 | 0 | 110.9 | G86 | P84-G86 PolarHBondContact O-N 3.21Š| ||
| 85 | S | 50 | Low | 53.6 | Low | 131 Ų | 131 | 125.8 Ų | 125.8 | 92% | 0.916 | 70% | 0.695 | S | S | * | * | trans | -46.9 | 81.9 | 175.8 | -69.7 | 0 | 0 | 0 | 0 | 110.9 | V83 H87 | V83-S85 PolarHBondContact O-N 3.16Å; S85-H87 PolarHBondContact O-N 2.93Å; S85-H87 VanDerWaalsContact O-N 3.09Å | ||
| 86 | G | 46.5 | Very low | 55.6 | Low | 52 Ų | 52 | 130.2 Ų | 130.2 | 54% | 0.536 | 69% | 0.69 | S | S | . | * | trans | -77.5 | 100.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | P84 H88 | P84-G86 PolarHBondContact O-N 3.21Å; G86-H88 PolarHBondContact O-N 3.16Å | ||
| 87 | H | 53.9 | Low | 57.9 | Low | 159 Ų | 159 | 124.1 Ų | 124.1 | 74% | 0.736 | 67% | 0.672 | S | S | * | * | trans | -25.1 | 101.1 | 160.9 | -170.2 | 72.5 | 0 | 0 | 0 | 110.3 | S85 Q89 | S85-H87 PolarHBondContact O-N 2.93Å; S85-H87 VanDerWaalsContact O-N 3.09Å; H87-Q89 VanDerWaalsContact CD2-CG 3.43Å; H87-Q89 WeakPolarHBondContact CD2-CG 3.43Å; H87-Q89 PolarHBondContact O-N 3.42Å | ||
| 88 | H | 56.3 | Low | 59.9 | Low | 95 Ų | 95 | 118.3 Ų | 118.3 | 44% | 0.44 | 64% | 0.643 | S | S | . | * | trans | -68.5 | 80.9 | 177.8 | -71.2 | -74.7 | 0 | 0 | 0 | 107.7 | G86 A90 A100 | G86-H88 PolarHBondContact O-N 3.16Å; H88-A90 PolarHBondContact O-N 3.17Å; H88-A100 WeakPolarHBondContact NE2-CB 3.4Å | ||
| 89 | Q | 59.6 | Low | 61.7 | Low | 126 Ų | 126 | 120 Ų | 120 | 59% | 0.589 | 65% | 0.645 | S | S | * | * | trans | -57.3 | 123.3 | 172 | -63.3 | -173.3 | 32.4 | 0 | 0 | 107.1 | H87 G91 R92 | H87-Q89 VanDerWaalsContact CD2-CG 3.43Å; H87-Q89 WeakPolarHBondContact CD2-CG 3.43Å; H87-Q89 PolarHBondContact O-N 3.42Å; Q89-G91 PolarHBondContact O-N 3.3Å; Q89-R92 PolarHBondContact O-N 3.37Å | ||
| 90 | A | 54.5 | Low | 63.3 | Low | 107 Ų | 107 | 113.9 Ų | 113.9 | 88% | 0.884 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.7 | 123.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | H88 | H88-A90 PolarHBondContact O-N 3.17Š|
| 91 | G | 65.3 | Low | 64.9 | Low | 76 Ų | 76 | 107.9 Ų | 107.9 | 78% | 0.784 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.3 | -15.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | Q89 | Q89-G91 PolarHBondContact O-N 3.3Š|
| 92 | R | 73.2 | Confident | 66.5 | Low | 222 Ų | 222 | 106.7 Ų | 106.7 | 84% | 0.838 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -94.2 | -15 | -177.1 | -58.6 | -174.4 | 72.4 | -116.4 | 1.4 | 115.3 | Q89 | Q89-R92 PolarHBondContact O-N 3.37Š|
| 93 | C | 83.7 | Confident | 67.6 | Low | 35 Ų | 35 | 104.6 Ų | 104.6 | 24% | 0.236 | 57% | 0.573 | C | S | . | * | S | Bend | trans | -99.4 | 133 | 175.8 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | L95 C98 C101 | C93-L95 PolarHBondContact O-N 2.93Å; C93-C98 HydrophobicContact CB-CB 3.67Å; C93-C101 HydrophobicContact CB-CB 4.33Å; C93-C101 WeakPolarHBondContact CB-SG 3.36Å; C93-C101 WeakPolarHBondContact SG-CB 3.32Å; C93-C101 CovalentContact SG-SG 2.08Å; C93-C101 PolarHBondContact SG-SG 3.47Å |
| 94 | L | 81.1 | Confident | 69.4 | Low | 107 Ų | 107 | 105.7 Ų | 105.7 | 56% | 0.56 | 57% | 0.568 | S | S | * | * | trans | -68.3 | 116 | 166.2 | -65.5 | 176.3 | 0 | 0 | 0 | 108.8 | W96 A97 C98 | L94-W96 HydrophobicContact CD1-CZ2 3.64Å; L94-W96 PolarHBondContact O-N 3.48Å; L94-W96 VanDerWaalsContact O-N 3.11Å; L94-A97 HydrophobicContact CB-CB 4.08Å; L94-A97 PolarHBondContact O-N 3.13Å; L94-C98 PolarHBondContact O-N 3.45Å | ||
| 95 | L | 76.9 | Confident | 71.1 | Confident | 100 Ų | 100 | 102.2 Ų | 102.2 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26 | -175.5 | -128.8 | 76.4 | 0 | 0 | 0 | 113.4 | C93 C101 T105 | C93-L95 PolarHBondContact O-N 2.93Å; L95-C101 HydrophobicContact CD1-CB 3.81Å; L95-C101 HydrophobicContact CG-CB 4.4Å; L95-T105 HydrophobicContact CD2-CG2 4.33Å |
| 96 | W | 81.2 | Confident | 73 | Confident | 196 Ų | 196 | 99.3 Ų | 99.3 | 74% | 0.742 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -27.7 | 176.6 | 65.1 | -98.1 | 0 | 0 | 0 | 113 | L94 | L94-W96 HydrophobicContact CD1-CZ2 3.64Å; L94-W96 PolarHBondContact O-N 3.48Å; L94-W96 VanDerWaalsContact O-N 3.11Å |
| 97 | A | 82.9 | Confident | 75 | Confident | 62 Ų | 62 | 102.3 Ų | 102.3 | 51% | 0.512 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -33.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L94 K99 | L94-A97 HydrophobicContact CB-CB 4.08Å; L94-A97 PolarHBondContact O-N 3.13Å; A97-K99 PolarHBondContact O-N 3.33Å |
| 98 | C | 84.6 | Confident | 76.8 | Confident | 27 Ų | 27 | 97 Ų | 97 | 18% | 0.182 | 51% | 0.509 | C | S | . | . | trans | -84.4 | 116.5 | -177.1 | 177.1 | 0 | 0 | 0 | 0 | 112.1 | C93 L94 A100 C101 K102 | C93-C98 HydrophobicContact CB-CB 3.67Å; L94-C98 PolarHBondContact O-N 3.45Å; C98-A100 VanDerWaalsContact C-N 3.35Å; C98-A100 PolarHBondContact O-N 3.46Å; C98-C101 HydrophobicContact CB-CB 3.96Å; C98-C101 PolarHBondContact O-N 3.32Å; C98-C101 PolarHBondContact SG-SG 2.9Å; C98-K102 WeakPolarHBondContact O-CB 3.24Å; C98-K102 PolarHBondContact O-N 2.98Å | ||
| 99 | K | 79.9 | Confident | 78.5 | Confident | 147 Ų | 147 | 95.7 Ų | 95.7 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65 | -33.5 | -177 | -162.7 | 163.9 | -173.8 | 174.5 | 0 | 113.7 | A97 R103 | A97-K99 PolarHBondContact O-N 3.33Å; K99-R103 PolarHBondContact O-N 2.95Å |
| 100 | A | 79.9 | Confident | 80 | Confident | 40 Ų | 40 | 94.8 Ų | 94.8 | 33% | 0.331 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.1 | -47.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H88 C98 R103 K104 | H88-A100 WeakPolarHBondContact NE2-CB 3.4Å; C98-A100 VanDerWaalsContact C-N 3.35Å; C98-A100 PolarHBondContact O-N 3.46Å; A100-R103 PolarHBondContact O-N 3.05Å; A100-K104 WeakPolarHBondContact O-CG 3.36Å |
| 101 | C | 76.6 | Confident | 82 | Confident | 5 Ų | 5 | 97.9 Ų | 97.9 | 3% | 0.034 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -68.8 | -35.1 | 178 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | C93 L95 C98 R103 K104 | C93-C101 HydrophobicContact CB-CB 4.33Å; C93-C101 WeakPolarHBondContact CB-SG 3.36Å; C93-C101 WeakPolarHBondContact SG-CB 3.32Å; C93-C101 CovalentContact SG-SG 2.08Å; C93-C101 PolarHBondContact SG-SG 3.47Å; L95-C101 HydrophobicContact CD1-CB 3.81Å; L95-C101 HydrophobicContact CG-CB 4.4Å; C98-C101 HydrophobicContact CB-CB 3.96Å; C98-C101 PolarHBondContact O-N 3.32Å; C98-C101 PolarHBondContact SG-SG 2.9Å; C101-R103 VanDerWaalsContact C-N 3.29Å; C101-R103 PolarHBondContact O-N 3.49Å; C101-K104 WeakPolarHBondContact O-CB 3.42Å; C101-K104 PolarHBondContact O-N 3.28Å; C101-K104 VanDerWaalsContact O-N 3.15Å |
| 102 | K | 78.8 | Confident | 83.5 | Confident | 95 Ų | 95 | 101 Ų | 101 | 41% | 0.413 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.7 | -28.8 | 177.6 | -175 | 179.6 | 178.1 | -174.9 | 0 | 113.6 | C98 T105 R110 | C98-K102 WeakPolarHBondContact O-CB 3.24Å; C98-K102 PolarHBondContact O-N 2.98Å; K102-T105 VanDerWaalsContact O-CG2 3.26Å; K102-T105 WeakPolarHBondContact O-CG2 3.29Å; K102-R110 VanDerWaalsContact CG-NH2 3.33Å; K102-R110 PolarHBondContact O-NH2 3.18Å |
| 103 | R | 73.2 | Confident | 84.5 | Confident | 185 Ų | 185 | 92 Ų | 92 | 70% | 0.698 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -80.5 | -21.4 | 175.5 | -75.8 | -176.3 | -177.2 | 126.6 | -9.8 | 113.2 | K99 A100 C101 | K99-R103 PolarHBondContact O-N 2.95Å; A100-R103 PolarHBondContact O-N 3.05Å; C101-R103 VanDerWaalsContact C-N 3.29Å; C101-R103 PolarHBondContact O-N 3.49Å |
| 104 | K | 74.3 | Confident | 85.1 | Confident | 138 Ų | 138 | 93 Ų | 93 | 60% | 0.6 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -75.1 | -31.2 | -180 | -60.4 | 174.1 | -169.9 | -162.4 | 0 | 112.3 | A100 C101 | A100-K104 WeakPolarHBondContact O-CG 3.36Å; C101-K104 WeakPolarHBondContact O-CB 3.42Å; C101-K104 PolarHBondContact O-N 3.28Å; C101-K104 VanDerWaalsContact O-N 3.15Å |
| 105 | T | 81.3 | Confident | 85.9 | Confident | 41 Ų | 41 | 92 Ų | 92 | 25% | 0.252 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -75 | 127.2 | 170.4 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | L95 K102 | L95-T105 HydrophobicContact CD2-CG2 4.33Å; K102-T105 VanDerWaalsContact O-CG2 3.26Å; K102-T105 WeakPolarHBondContact O-CG2 3.29Å |
| 106 | T | 88.7 | Confident | 86.9 | Confident | 71 Ų | 71 | 91.1 Ų | 91.1 | 44% | 0.436 | 46% | 0.456 | S | S | . | . | trans | -67.9 | 154.3 | -176.5 | 75.8 | 0 | 0 | 0 | 0 | 110.8 | A108 D109 R110 | T106-A108 PolarHBondContact O-N 2.94Å; T106-A108 PolarHBondContact OG1-N 3.41Å; T106-D109 WeakPolarHBondContact CB-OD2 3.42Å; T106-D109 PolarHBondContact N-OD2 3.33Å; T106-D109 PolarHBondContact O-N 3.04Å; T106-D109 VanDerWaalsContact O-N 3.16Å; T106-D109 PolarHBondContact OG1-N 2.71Å; T106-D109 VanDerWaalsContact OG1-N 3.1Å; T106-D109 PolarHBondContact OG1-OD2 3.44Å; T106-R110 PolarHBondContact O-N 2.9Å | ||
| 107 | N | 88.9 | Confident | 87.8 | Confident | 114 Ų | 114 | 90 Ų | 90 | 61% | 0.61 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -58.3 | -33 | 173 | -98.4 | -66.3 | 0 | 0 | 0 | 111.9 | R111 | N107-R111 WeakPolarHBondContact O-CG 3.47Å; N107-R111 PolarHBondContact O-N 3.28Å |
| 108 | A | 92.6 | Very high | 88.5 | Confident | 47 Ų | 47 | 90.9 Ų | 90.9 | 39% | 0.388 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T106 R110 R111 K112 | T106-A108 PolarHBondContact O-N 2.94Å; T106-A108 PolarHBondContact OG1-N 3.41Å; A108-R110 PolarHBondContact O-N 3.02Å; A108-R111 PolarHBondContact O-N 2.9Å; A108-K112 WeakPolarHBondContact O-CG 3.33Å; A108-K112 PolarHBondContact O-N 3.43Å |
| 109 | D | 92.4 | Very high | 89.2 | Confident | 68 Ų | 68 | 97.5 Ų | 97.5 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66 | -39 | -179.8 | -59.1 | -35.9 | 0 | 0 | 0 | 112 | T106 R111 K112 A113 | T106-D109 WeakPolarHBondContact CB-OD2 3.42Å; T106-D109 PolarHBondContact N-OD2 3.33Å; T106-D109 PolarHBondContact O-N 3.04Å; T106-D109 VanDerWaalsContact O-N 3.16Å; T106-D109 PolarHBondContact OG1-N 2.71Å; T106-D109 VanDerWaalsContact OG1-N 3.1Å; T106-D109 PolarHBondContact OG1-OD2 3.44Å; D109-R111 VanDerWaalsContact C-N 3.31Å; D109-R111 PolarHBondContact O-N 3.1Å; D109-K112 PolarHBondContact O-N 3.22Å; D109-A113 WeakPolarHBondContact O-CB 3.5Å; D109-A113 PolarHBondContact O-N 2.99Å |
| 110 | R | 90.3 | Very high | 90.1 | Very high | 107 Ų | 107 | 97.6 Ų | 97.6 | 40% | 0.404 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 173.5 | -170.4 | -172.1 | -58.1 | -90.2 | -10.1 | 111.7 | K102 T106 A108 A114 | K102-R110 VanDerWaalsContact CG-NH2 3.33Å; K102-R110 PolarHBondContact O-NH2 3.18Å; T106-R110 PolarHBondContact O-N 2.9Å; A108-R110 PolarHBondContact O-N 3.02Å; R110-A114 WeakPolarHBondContact O-CB 3.42Å; R110-A114 PolarHBondContact O-N 3.29Å |
| 111 | R | 96 | Very high | 91 | Very high | 173 Ų | 173 | 101.8 Ų | 101.8 | 65% | 0.653 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.3 | -44.1 | 178.1 | -70.1 | 175.2 | -170.5 | 163.1 | 1.9 | 111.8 | N107 A108 D109 A114 T115 | N107-R111 WeakPolarHBondContact O-CG 3.47Å; N107-R111 PolarHBondContact O-N 3.28Å; A108-R111 PolarHBondContact O-N 2.9Å; D109-R111 VanDerWaalsContact C-N 3.31Å; D109-R111 PolarHBondContact O-N 3.1Å; R111-A114 PolarHBondContact O-N 3.17Å; R111-T115 WeakPolarHBondContact O-CB 3.4Å; R111-T115 PolarHBondContact O-N 3.45Å; R111-T115 PolarHBondContact O-OG1 3.03Å |
| 112 | K | 96.4 | Very high | 92 | Very high | 140 Ų | 140 | 104.9 Ų | 104.9 | 61% | 0.609 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.5 | -47.2 | 175.4 | -70.7 | 175.3 | -177.1 | 175.1 | 0 | 111.1 | A108 D109 A114 T115 L116 | A108-K112 WeakPolarHBondContact O-CG 3.33Å; A108-K112 PolarHBondContact O-N 3.43Å; D109-K112 PolarHBondContact O-N 3.22Å; K112-A114 PolarHBondContact O-N 2.87Å; K112-T115 PolarHBondContact O-N 2.89Å; K112-L116 PolarHBondContact O-N 3.34Å |
| 113 | A | 95.3 | Very high | 93 | Very high | 34 Ų | 34 | 103 Ų | 103 | 28% | 0.281 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D109 R117 | D109-A113 WeakPolarHBondContact O-CB 3.5Å; D109-A113 PolarHBondContact O-N 2.99Å; A113-R117 WeakPolarHBondContact O-CG 3.24Å; A113-R117 PolarHBondContact O-N 3.15Å; A113-R117 VanDerWaalsContact O-N 3.12Å; A113-R117 PolarHBondContact O-NE 3Å |
| 114 | A | 96.4 | Very high | 94.2 | Very high | 56 Ų | 56 | 101.6 Ų | 101.6 | 46% | 0.463 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R110 R111 K112 L116 R117 E118 | R110-A114 WeakPolarHBondContact O-CB 3.42Å; R110-A114 PolarHBondContact O-N 3.29Å; R111-A114 PolarHBondContact O-N 3.17Å; K112-A114 PolarHBondContact O-N 2.87Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 3.13Å; A114-R117 PolarHBondContact O-N 3.3Å; A114-E118 PolarHBondContact O-N 3.45Å |
| 115 | T | 97.9 | Very high | 95.3 | Very high | 87 Ų | 87 | 97.3 Ų | 97.3 | 53% | 0.534 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 177.7 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | R111 K112 E118 R119 | R111-T115 WeakPolarHBondContact O-CB 3.4Å; R111-T115 PolarHBondContact O-N 3.45Å; R111-T115 PolarHBondContact O-OG1 3.03Å; K112-T115 PolarHBondContact O-N 2.89Å; T115-E118 PolarHBondContact O-N 2.87Å; T115-R119 WeakPolarHBondContact O-CB 3.4Å; T115-R119 PolarHBondContact O-N 3.41Å |
| 116 | L | 98.3 | Very high | 96.1 | Very high | 81 Ų | 81 | 98.5 Ų | 98.5 | 42% | 0.424 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 177.9 | -173.2 | 63.6 | 0 | 0 | 0 | 111.9 | K112 A114 R119 R120 | K112-L116 PolarHBondContact O-N 3.34Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 3.13Å; L116-R119 PolarHBondContact O-N 3.4Å; L116-R120 WeakPolarHBondContact O-CG 3.37Å; L116-R120 PolarHBondContact O-N 3.33Å |
| 117 | R | 98.4 | Very high | 96.6 | Very high | 172 Ų | 172 | 99.8 Ų | 99.8 | 65% | 0.649 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.2 | -45.3 | 173.8 | -77.9 | -177.8 | -110.1 | -101.9 | 1.8 | 111.9 | A113 A114 R120 R121 | A113-R117 WeakPolarHBondContact O-CG 3.24Å; A113-R117 PolarHBondContact O-N 3.15Å; A113-R117 VanDerWaalsContact O-N 3.12Å; A113-R117 PolarHBondContact O-NE 3Å; A114-R117 PolarHBondContact O-N 3.3Å; R117-R120 PolarHBondContact O-N 3.02Å; R117-R121 PolarHBondContact O-N 3.43Å |
| 118 | E | 98.6 | Very high | 97 | Very high | 81 Ų | 81 | 97.2 Ų | 97.2 | 38% | 0.379 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 178.6 | -178.8 | 56.6 | -165.8 | 0 | 0 | 111.8 | A114 T115 R120 R121 L122 | A114-E118 PolarHBondContact O-N 3.45Å; T115-E118 PolarHBondContact O-N 2.87Å; E118-R120 VanDerWaalsContact C-N 3.35Å; E118-R120 PolarHBondContact O-N 3.15Å; E118-R121 WeakPolarHBondContact O-CB 3.34Å; E118-R121 PolarHBondContact O-N 3.19Å; E118-R121 IonicContact OE1-CZ 3Å; E118-R121 IonicContact OE1-NE 3.8Å; E118-R121 PolarHBondContact OE1-NE 3.19Å; E118-R121 IonicContact OE1-NH2 3.45Å; E118-R121 PolarHBondContact OE1-NH2 2.81Å; E118-R121 IonicContact OE2-CZ 3.43Å; E118-R121 IonicContact OE2-NE 2.87Å; E118-R121 PolarHBondContact OE2-NE 2.7Å; E118-R121 IonicContact OE2-NH2 3.6Å; E118-L122 HydrophobicContact CG-CD1 4.19Å; E118-L122 HydrophobicContact CG-CG 4.46Å; E118-L122 WeakPolarHBondContact O-CG 3.39Å; E118-L122 PolarHBondContact O-N 3.25Å |
| 119 | R | 98.7 | Very high | 97.3 | Very high | 165 Ų | 165 | 96.9 Ų | 96.9 | 62% | 0.623 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -55.5 | -49.9 | 171.7 | -178.5 | -174.8 | -64.1 | -82.9 | 0.8 | 111.2 | T115 L116 R121 L122 S123 | T115-R119 WeakPolarHBondContact O-CB 3.4Å; T115-R119 PolarHBondContact O-N 3.41Å; L116-R119 PolarHBondContact O-N 3.4Å; R119-R121 VanDerWaalsContact C-N 3.32Å; R119-R121 PolarHBondContact O-N 3.11Å; R119-L122 PolarHBondContact O-N 3.34Å; R119-S123 PolarHBondContact O-N 3.32Å; R119-S123 PolarHBondContact O-OG 2.91Å |
| 120 | R | 98.7 | Very high | 97.5 | Very high | 149 Ų | 149 | 97.5 Ų | 97.5 | 56% | 0.562 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.9 | -39.7 | 178.3 | -70.4 | 172.7 | -178 | -173.9 | -1.1 | 111.9 | L116 R117 E118 S123 K124 | L116-R120 WeakPolarHBondContact O-CG 3.37Å; L116-R120 PolarHBondContact O-N 3.33Å; R117-R120 PolarHBondContact O-N 3.02Å; E118-R120 VanDerWaalsContact C-N 3.35Å; E118-R120 PolarHBondContact O-N 3.15Å; R120-S123 PolarHBondContact O-N 2.9Å; R120-K124 PolarHBondContact O-N 3.16Å |
| 121 | R | 98.7 | Very high | 97.8 | Very high | 128 Ų | 128 | 95.5 Ų | 95.5 | 48% | 0.483 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 175.6 | -167.1 | -166.2 | 71 | 79.7 | 0.5 | 111.3 | R117 E118 R119 K124 V125 | R117-R121 PolarHBondContact O-N 3.43Å; E118-R121 WeakPolarHBondContact O-CB 3.34Å; E118-R121 PolarHBondContact O-N 3.19Å; E118-R121 IonicContact OE1-CZ 3Å; E118-R121 IonicContact OE1-NE 3.8Å; E118-R121 PolarHBondContact OE1-NE 3.19Å; E118-R121 IonicContact OE1-NH2 3.45Å; E118-R121 PolarHBondContact OE1-NH2 2.81Å; E118-R121 IonicContact OE2-CZ 3.43Å; E118-R121 IonicContact OE2-NE 2.87Å; E118-R121 PolarHBondContact OE2-NE 2.7Å; E118-R121 IonicContact OE2-NH2 3.6Å; R119-R121 VanDerWaalsContact C-N 3.32Å; R119-R121 PolarHBondContact O-N 3.11Å; R121-K124 PolarHBondContact O-N 2.7Å; R121-V125 WeakPolarHBondContact O-CG2 3.45Å; R121-V125 PolarHBondContact O-N 3.27Å; R121-V125 VanDerWaalsContact O-N 3.15Å |
| 122 | L | 98.4 | Very high | 97.9 | Very high | 70 Ų | 70 | 90 Ų | 90 | 37% | 0.366 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 178.8 | -70.4 | 174.8 | 0 | 0 | 0 | 112.7 | E118 R119 V125 N126 | E118-L122 HydrophobicContact CG-CD1 4.19Å; E118-L122 HydrophobicContact CG-CG 4.46Å; E118-L122 WeakPolarHBondContact O-CG 3.39Å; E118-L122 PolarHBondContact O-N 3.25Å; R119-L122 PolarHBondContact O-N 3.34Å; L122-V125 PolarHBondContact O-N 3.44Å; L122-N126 WeakPolarHBondContact O-CB 3.21Å; L122-N126 PolarHBondContact O-N 3.41Å; L122-N126 PolarHBondContact O-ND2 3.27Å |
| 123 | S | 98.6 | Very high | 97.9 | Very high | 55 Ų | 55 | 84 Ų | 84 | 39% | 0.385 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.1 | -52.5 | 171.6 | -66.8 | 0 | 0 | 0 | 0 | 110.9 | R119 R120 V125 N126 D127 | R119-S123 PolarHBondContact O-N 3.32Å; R119-S123 PolarHBondContact O-OG 2.91Å; R120-S123 PolarHBondContact O-N 2.9Å; S123-V125 VanDerWaalsContact C-N 3.3Å; S123-V125 PolarHBondContact O-N 2.92Å; S123-N126 CarbonylContact O-C 3.59Å; S123-N126 WeakPolarHBondContact O-CA 3.43Å; S123-N126 WeakPolarHBondContact O-CB 3.29Å; S123-N126 PolarHBondContact O-N 3.08Å; S123-D127 PolarHBondContact O-N 3.39Å |
| 124 | K | 98.6 | Very high | 97.9 | Very high | 156 Ų | 156 | 89.2 Ų | 89.2 | 68% | 0.678 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58.5 | -40.6 | 178.1 | -65.8 | -178.3 | 180 | -168.6 | 0 | 113 | R120 R121 N126 D127 A128 | R120-K124 PolarHBondContact O-N 3.16Å; R121-K124 PolarHBondContact O-N 2.7Å; K124-N126 VanDerWaalsContact C-N 3.34Å; K124-D127 PolarHBondContact O-N 3.36Å; K124-A128 PolarHBondContact O-N 2.73Å; K124-A128 VanDerWaalsContact O-N 3.07Å |
| 125 | V | 98.5 | Very high | 97.8 | Very high | 49 Ų | 49 | 90.3 Ų | 90.3 | 30% | 0.297 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 175.3 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | R121 L122 S123 A128 F129 | R121-V125 WeakPolarHBondContact O-CG2 3.45Å; R121-V125 PolarHBondContact O-N 3.27Å; R121-V125 VanDerWaalsContact O-N 3.15Å; L122-V125 PolarHBondContact O-N 3.44Å; S123-V125 VanDerWaalsContact C-N 3.3Å; S123-V125 PolarHBondContact O-N 2.92Å; V125-A128 PolarHBondContact O-N 3.1Å; V125-F129 HydrophobicContact CG1-CD2 3.9Å; V125-F129 HydrophobicContact CG1-CE2 3.98Å; V125-F129 WeakPolarHBondContact O-CD2 3.36Å; V125-F129 PolarHBondContact O-N 3.24Å |
| 126 | N | 98.1 | Very high | 97.7 | Very high | 66 Ų | 66 | 87.2 Ų | 87.2 | 35% | 0.353 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 177.8 | -67.4 | -21.6 | 0 | 0 | 0 | 111.5 | L122 S123 K124 A128 F129 E130 K146 | L122-N126 WeakPolarHBondContact O-CB 3.21Å; L122-N126 PolarHBondContact O-N 3.41Å; L122-N126 PolarHBondContact O-ND2 3.27Å; S123-N126 CarbonylContact O-C 3.59Å; S123-N126 WeakPolarHBondContact O-CA 3.43Å; S123-N126 WeakPolarHBondContact O-CB 3.29Å; S123-N126 PolarHBondContact O-N 3.08Å; K124-N126 VanDerWaalsContact C-N 3.34Å; N126-A128 VanDerWaalsContact C-N 3.3Å; N126-A128 PolarHBondContact O-N 2.82Å; N126-F129 WeakPolarHBondContact O-CB 3.48Å; N126-F129 PolarHBondContact O-N 3.4Å; N126-F129 VanDerWaalsContact O-N 3.11Å; N126-E130 WeakPolarHBondContact O-CG 3.37Å; N126-E130 PolarHBondContact O-N 3.09Å; N126-K146 WeakPolarHBondContact OD1-CE 3.4Å; N126-K146 PolarHBondContact OD1-NZ 3.41Å |
| 127 | D | 98.1 | Very high | 97.4 | Very high | 97 Ų | 97 | 84.5 Ų | 84.5 | 52% | 0.519 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 176.6 | -58.8 | -24 | 0 | 0 | 0 | 111.7 | S123 K124 E130 T131 | S123-D127 PolarHBondContact O-N 3.39Å; K124-D127 PolarHBondContact O-N 3.36Å; D127-E130 PolarHBondContact O-N 3.1Å; D127-T131 PolarHBondContact O-N 3.23Å; D127-T131 PolarHBondContact O-OG1 2.82Å |
| 128 | A | 98.3 | Very high | 96.8 | Very high | 60 Ų | 60 | 81 Ų | 81 | 50% | 0.496 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K124 V125 N126 T131 L132 | K124-A128 PolarHBondContact O-N 2.73Å; K124-A128 VanDerWaalsContact O-N 3.07Å; V125-A128 PolarHBondContact O-N 3.1Å; N126-A128 VanDerWaalsContact C-N 3.3Å; N126-A128 PolarHBondContact O-N 2.82Å; A128-T131 PolarHBondContact O-N 3.28Å; A128-L132 WeakPolarHBondContact O-CB 3.49Å; A128-L132 PolarHBondContact O-N 2.77Å |
| 129 | F | 98 | Very high | 96.3 | Very high | 40 Ų | 40 | 82 Ų | 82 | 18% | 0.175 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 174.7 | -96 | -81.2 | 0 | 0 | 0 | 112.5 | V125 N126 T131 L132 K133 K146 I149 L150 | V125-F129 HydrophobicContact CG1-CD2 3.9Å; V125-F129 HydrophobicContact CG1-CE2 3.98Å; V125-F129 WeakPolarHBondContact O-CD2 3.36Å; V125-F129 PolarHBondContact O-N 3.24Å; N126-F129 WeakPolarHBondContact O-CB 3.48Å; N126-F129 PolarHBondContact O-N 3.4Å; N126-F129 VanDerWaalsContact O-N 3.11Å; F129-T131 VanDerWaalsContact C-N 3.33Å; F129-L132 PolarHBondContact O-N 2.98Å; F129-K133 WeakPolarHBondContact O-CB 3.46Å; F129-K133 PolarHBondContact O-N 3.24Å; F129-K146 HydrophobicContact CD1-CB 4.22Å; F129-K146 HydrophobicContact CD1-CG 4.04Å; F129-K146 HydrophobicContact CD2-CD 4.29Å; F129-K146 HydrophobicContact CE1-CB 3.71Å; F129-K146 HydrophobicContact CE1-CD 4.36Å; F129-K146 HydrophobicContact CE1-CG 3.97Å; F129-K146 HydrophobicContact CE2-CD 4.11Å; F129-K146 HydrophobicContact CG-CG 4.38Å; F129-K146 HydrophobicContact CZ-CB 4.05Å; F129-K146 HydrophobicContact CZ-CD 4.15Å; F129-K146 HydrophobicContact CZ-CG 4.25Å; F129-I149 HydrophobicContact CD1-CB 4.28Å; F129-I149 HydrophobicContact CD1-CD1 4.14Å; F129-I149 HydrophobicContact CD1-CG2 4.11Å; F129-L150 HydrophobicContact CE1-CD1 4.46Å; F129-L150 HydrophobicContact CE1-CD2 3.95Å; F129-L150 HydrophobicContact CE1-CG 3.97Å; F129-L150 HydrophobicContact CZ-CD1 4.37Å; F129-L150 HydrophobicContact CZ-CD2 4.14Å; F129-L150 HydrophobicContact CZ-CG 4.3Å |
| 130 | E | 96.7 | Very high | 95.6 | Very high | 81 Ų | 81 | 76.5 Ų | 76.5 | 38% | 0.379 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 176.1 | -71.9 | -60.4 | 127.1 | 0 | 0 | 111.5 | N126 D127 K133 R134 | N126-E130 WeakPolarHBondContact O-CG 3.37Å; N126-E130 PolarHBondContact O-N 3.09Å; D127-E130 PolarHBondContact O-N 3.1Å; E130-K133 PolarHBondContact O-N 3.35Å; E130-K133 IonicContact OE1-NZ 3.89Å; E130-K133 PolarHBondContact OE1-NZ 2.99Å; E130-K133 WeakPolarHBondContact OE2-CE 3.45Å; E130-K133 IonicContact OE2-NZ 2.7Å; E130-K133 PolarHBondContact OE2-NZ 2.88Å; E130-R134 WeakPolarHBondContact O-CG 3.37Å; E130-R134 PolarHBondContact O-N 3.41Å; E130-R134 VanDerWaalsContact O-N 3.11Å |
| 131 | T | 97.1 | Very high | 95 | Very high | 66 Ų | 66 | 77 Ų | 77 | 41% | 0.405 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 173.9 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | D127 A128 F129 K133 R134 C135 | D127-T131 PolarHBondContact O-N 3.23Å; D127-T131 PolarHBondContact O-OG1 2.82Å; A128-T131 PolarHBondContact O-N 3.28Å; F129-T131 VanDerWaalsContact C-N 3.33Å; T131-K133 VanDerWaalsContact C-N 3.32Å; T131-K133 PolarHBondContact O-N 3.15Å; T131-R134 WeakPolarHBondContact O-CB 3.46Å; T131-R134 PolarHBondContact O-N 3.28Å; T131-R134 PolarHBondContact OG1-NH2 3.32Å; T131-C135 PolarHBondContact O-N 2.87Å; T131-C135 PolarHBondContact O-SG 3.35Å; T131-C135 VanDerWaalsContact O-SG 3.41Å |
| 132 | L | 97.7 | Very high | 94.6 | Very high | 57 Ų | 57 | 76 Ų | 76 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.5 | -44.7 | 176.9 | -178.4 | 60.1 | 0 | 0 | 0 | 111.5 | A128 F129 R134 C135 T136 I149 L150 A153 | A128-L132 WeakPolarHBondContact O-CB 3.49Å; A128-L132 PolarHBondContact O-N 2.77Å; F129-L132 PolarHBondContact O-N 2.98Å; L132-R134 VanDerWaalsContact C-N 3.31Å; L132-R134 PolarHBondContact O-N 2.89Å; L132-C135 PolarHBondContact O-N 3.11Å; L132-C135 VanDerWaalsContact O-N 3.09Å; L132-T136 HydrophobicContact CD1-CG2 3.79Å; L132-T136 HydrophobicContact CG-CG2 4.32Å; L132-T136 WeakPolarHBondContact O-CG2 3.11Å; L132-T136 PolarHBondContact O-N 3.02Å; L132-T136 VanDerWaalsContact O-N 3.08Å; L132-T136 PolarHBondContact O-OG1 3.4Å; L132-I149 HydrophobicContact CB-CG2 4.27Å; L132-I149 HydrophobicContact CD2-CG2 3.93Å; L132-I149 HydrophobicContact CG-CG2 3.94Å; L132-L150 HydrophobicContact CD2-CD2 4.25Å; L132-A153 HydrophobicContact CD1-CB 3.86Å; L132-A153 HydrophobicContact CD2-CB 4.07Å; L132-A153 HydrophobicContact CG-CB 4.21Å |
| 133 | K | 96.8 | Very high | 94.3 | Very high | 14 Ų | 14 | 84 Ų | 84 | 6% | 0.061 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 177.4 | -176.4 | -175 | 62.4 | 174.7 | 0 | 112.1 | F129 E130 T131 C135 T136 T137 P140 L144 I149 | F129-K133 WeakPolarHBondContact O-CB 3.46Å; F129-K133 PolarHBondContact O-N 3.24Å; E130-K133 PolarHBondContact O-N 3.35Å; E130-K133 IonicContact OE1-NZ 3.89Å; E130-K133 PolarHBondContact OE1-NZ 2.99Å; E130-K133 WeakPolarHBondContact OE2-CE 3.45Å; E130-K133 IonicContact OE2-NZ 2.7Å; E130-K133 PolarHBondContact OE2-NZ 2.88Å; T131-K133 VanDerWaalsContact C-N 3.32Å; T131-K133 PolarHBondContact O-N 3.15Å; K133-C135 VanDerWaalsContact C-N 3.27Å; K133-C135 PolarHBondContact O-N 3.43Å; K133-T136 PolarHBondContact O-N 3.21Å; K133-T137 WeakPolarHBondContact O-CB 3.15Å; K133-T137 PolarHBondContact O-N 3.35Å; K133-T137 PolarHBondContact O-OG1 3.07Å; K133-P140 WeakPolarHBondContact CE-O 3.42Å; K133-P140 PolarHBondContact NZ-O 3.28Å; K133-L144 HydrophobicContact CD-CD1 4.48Å; K133-L144 HydrophobicContact CG-CD1 4.29Å; K133-I149 HydrophobicContact CB-CD1 4.12Å; K133-I149 HydrophobicContact CB-CG1 4.31Å; K133-I149 HydrophobicContact CB-CG2 4.19Å; K133-I149 HydrophobicContact CD-CD1 4.24Å; K133-I149 HydrophobicContact CG-CD1 4.36Å; K133-I149 HydrophobicContact CG-CG1 4.35Å |
| 134 | R | 96.2 | Very high | 94 | Very high | 144 Ų | 144 | 83 Ų | 83 | 54% | 0.543 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.2 | -34.4 | 177 | -74 | -172.6 | -68.2 | -101.2 | 4.3 | 112.6 | E130 T131 L132 P140 | E130-R134 WeakPolarHBondContact O-CG 3.37Å; E130-R134 PolarHBondContact O-N 3.41Å; E130-R134 VanDerWaalsContact O-N 3.11Å; T131-R134 WeakPolarHBondContact O-CB 3.46Å; T131-R134 PolarHBondContact O-N 3.28Å; T131-R134 PolarHBondContact OG1-NH2 3.32Å; L132-R134 VanDerWaalsContact C-N 3.31Å; L132-R134 PolarHBondContact O-N 2.89Å; R134-P140 HydrophobicContact CG-CB 3.91Å |
| 135 | C | 94.6 | Very high | 93.9 | Very high | 79 Ų | 79 | 79.3 Ų | 79.3 | 53% | 0.534 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -79.3 | -29.7 | -179.7 | -61.5 | 0 | 0 | 0 | 0 | 113.3 | T131 L132 K133 | T131-C135 PolarHBondContact O-N 2.87Å; T131-C135 PolarHBondContact O-SG 3.35Å; T131-C135 VanDerWaalsContact O-SG 3.41Å; L132-C135 PolarHBondContact O-N 3.11Å; L132-C135 VanDerWaalsContact O-N 3.09Å; K133-C135 VanDerWaalsContact C-N 3.27Å; K133-C135 PolarHBondContact O-N 3.43Å |
| 136 | T | 95.6 | Very high | 93.9 | Very high | 22 Ų | 22 | 81.6 Ų | 81.6 | 14% | 0.135 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -106.3 | -15.5 | -169.1 | 64.5 | 0 | 0 | 0 | 0 | 113.9 | L132 K133 A153 Y156 | L132-T136 HydrophobicContact CD1-CG2 3.79Å; L132-T136 HydrophobicContact CG-CG2 4.32Å; L132-T136 WeakPolarHBondContact O-CG2 3.11Å; L132-T136 PolarHBondContact O-N 3.02Å; L132-T136 VanDerWaalsContact O-N 3.08Å; L132-T136 PolarHBondContact O-OG1 3.4Å; K133-T136 PolarHBondContact O-N 3.21Å; T136-A153 HydrophobicContact CG2-CB 3.85Å; T136-Y156 HydrophobicContact CG2-CD1 4.33Å |
| 137 | T | 91.1 | Very high | 93.9 | Very high | 24 Ų | 24 | 82.1 Ų | 82.1 | 15% | 0.147 | 44% | 0.438 | C | S | . | . | trans | -119.8 | 132.9 | -175.9 | -47.3 | 0 | 0 | 0 | 0 | 110.2 | K133 N139 L144 | K133-T137 WeakPolarHBondContact O-CB 3.15Å; K133-T137 PolarHBondContact O-N 3.35Å; K133-T137 PolarHBondContact O-OG1 3.07Å; T137-N139 PolarHBondContact O-N 2.86Å; T137-L144 HydrophobicContact CG2-CD1 3.78Å | ||
| 138 | A | 85.3 | Confident | 93.8 | Very high | 97 Ų | 97 | 80.5 Ų | 80.5 | 80% | 0.802 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -63.5 | -27 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P140 | A138-P140 WeakPolarHBondContact O-CD 3.36Š|
| 139 | N | 88 | Confident | 93.8 | Very high | 104 Ų | 104 | 77.8 Ų | 77.8 | 56% | 0.556 | 40% | 0.404 | S | S | * | . | trans | -116.1 | 88.4 | -179.1 | -66.6 | -58.1 | 0 | 0 | 0 | 111 | T137 N141 Q142 | T137-N139 PolarHBondContact O-N 2.86Å; N139-N141 PolarHBondContact O-N 2.96Å; N139-Q142 HydrophobicContact CB-CB 4.46Å; N139-Q142 PolarHBondContact O-N 3.41Å | ||
| 140 | P | 84.4 | Confident | 93.8 | Very high | 48 Ų | 48 | 79.9 Ų | 79.9 | 31% | 0.312 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -20.5 | -176.7 | 27.6 | -35.7 | 0 | 0 | 0 | 113.6 | K133 R134 A138 Q142 | K133-P140 WeakPolarHBondContact CE-O 3.42Å; K133-P140 PolarHBondContact NZ-O 3.28Å; R134-P140 HydrophobicContact CG-CB 3.91Å; A138-P140 WeakPolarHBondContact O-CD 3.36Å; P140-Q142 VanDerWaalsContact C-N 3.29Å; P140-Q142 PolarHBondContact O-N 3.41Å |
| 141 | N | 86.8 | Confident | 93.9 | Very high | 161 Ų | 161 | 82.7 Ų | 82.7 | 86% | 0.861 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -15.1 | 179.2 | -62.2 | -33.9 | 0 | 0 | 0 | 113.1 | N139 | N139-N141 PolarHBondContact O-N 2.96Š|
| 142 | Q | 89.6 | Confident | 93.9 | Very high | 106 Ų | 106 | 81.7 Ų | 81.7 | 50% | 0.495 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -72.3 | 132.1 | 175.7 | -173.1 | 177 | -4.2 | 0 | 0 | 110 | N139 P140 L144 | N139-Q142 HydrophobicContact CB-CB 4.46Å; N139-Q142 PolarHBondContact O-N 3.41Å; P140-Q142 VanDerWaalsContact C-N 3.29Å; P140-Q142 PolarHBondContact O-N 3.41Å; Q142-L144 HydrophobicContact CG-CD2 4.19Å; Q142-L144 HydrophobicContact CG-CG 4.46Å; Q142-L144 PolarHBondContact O-N 2.88Å |
| 143 | R | 92.4 | Very high | 93.9 | Very high | 238 Ų | 238 | 79.5 Ų | 79.5 | 90% | 0.898 | 41% | 0.406 | S | S | * | . | trans | -72 | 117.6 | 169.7 | -68.3 | -176.3 | 81 | 171.8 | 5.2 | 108.6 | ||||
| 144 | L | 92.9 | Very high | 94 | Very high | 35 Ų | 35 | 83.5 Ų | 83.5 | 18% | 0.183 | 43% | 0.427 | C | S | . | . | trans | -115.6 | 141.8 | 175.7 | -67.8 | 178.1 | 0 | 0 | 0 | 110.3 | K133 T137 Q142 I149 | K133-L144 HydrophobicContact CD-CD1 4.48Å; K133-L144 HydrophobicContact CG-CD1 4.29Å; T137-L144 HydrophobicContact CG2-CD1 3.78Å; Q142-L144 HydrophobicContact CG-CD2 4.19Å; Q142-L144 HydrophobicContact CG-CG 4.46Å; Q142-L144 PolarHBondContact O-N 2.88Å; L144-I149 HydrophobicContact CB-CD1 4.28Å; L144-I149 HydrophobicContact CB-CG1 3.79Å; L144-I149 HydrophobicContact CD1-CG1 4.47Å | ||
| 145 | P | 96.6 | Very high | 94.1 | Very high | 78 Ų | 78 | 79.8 Ų | 79.8 | 51% | 0.506 | 42% | 0.423 | S | S | . | . | trans | -70.1 | 148.5 | 173.2 | 28.5 | -30.8 | 0 | 0 | 0 | 110.3 | V147 E148 I149 | P145-V147 HydrophobicContact CB-CG1 4.42Å; P145-V147 PolarHBondContact O-N 2.94Å; P145-V147 VanDerWaalsContact O-N 3.15Å; P145-E148 HydrophobicContact CG-CB 3.68Å; P145-E148 WeakPolarHBondContact O-CB 3.41Å; P145-E148 PolarHBondContact O-N 3.01Å; P145-I149 PolarHBondContact O-N 3.39Å; P145-I149 VanDerWaalsContact O-N 3.11Å | ||
| 146 | K | 97.3 | Very high | 94.2 | Very high | 96 Ų | 96 | 81 Ų | 81 | 42% | 0.417 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -53.9 | -39.4 | -176.3 | -70.7 | -173.2 | 175.4 | -173.8 | 0 | 113.1 | N126 F129 E148 I149 L150 | N126-K146 WeakPolarHBondContact OD1-CE 3.4Å; N126-K146 PolarHBondContact OD1-NZ 3.41Å; F129-K146 HydrophobicContact CD1-CB 4.22Å; F129-K146 HydrophobicContact CD1-CG 4.04Å; F129-K146 HydrophobicContact CD2-CD 4.29Å; F129-K146 HydrophobicContact CE1-CB 3.71Å; F129-K146 HydrophobicContact CE1-CD 4.36Å; F129-K146 HydrophobicContact CE1-CG 3.97Å; F129-K146 HydrophobicContact CE2-CD 4.11Å; F129-K146 HydrophobicContact CG-CG 4.38Å; F129-K146 HydrophobicContact CZ-CB 4.05Å; F129-K146 HydrophobicContact CZ-CD 4.15Å; F129-K146 HydrophobicContact CZ-CG 4.25Å; K146-E148 VanDerWaalsContact C-N 3.28Å; K146-E148 PolarHBondContact O-N 3.41Å; K146-I149 PolarHBondContact O-N 3.18Å; K146-L150 WeakPolarHBondContact O-CG 3.32Å; K146-L150 PolarHBondContact O-N 3.11Å |
| 147 | V | 98.1 | Very high | 94.3 | Very high | 77 Ų | 77 | 84.2 Ų | 84.2 | 47% | 0.467 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.9 | -35.3 | 177.8 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | P145 L150 R151 | P145-V147 HydrophobicContact CB-CG1 4.42Å; P145-V147 PolarHBondContact O-N 2.94Å; P145-V147 VanDerWaalsContact O-N 3.15Å; V147-L150 PolarHBondContact O-N 3.27Å; V147-R151 WeakPolarHBondContact O-CG 3.47Å; V147-R151 PolarHBondContact O-N 2.79Å; V147-R151 VanDerWaalsContact O-N 3.1Å |
| 148 | E | 97.3 | Very high | 94.6 | Very high | 63 Ų | 63 | 88.5 Ų | 88.5 | 29% | 0.294 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -77.6 | -36.3 | -179.3 | -163.1 | 65.1 | -165.8 | 0 | 0 | 111.5 | P145 K146 L150 R151 N152 | P145-E148 HydrophobicContact CG-CB 3.68Å; P145-E148 WeakPolarHBondContact O-CB 3.41Å; P145-E148 PolarHBondContact O-N 3.01Å; K146-E148 VanDerWaalsContact C-N 3.28Å; K146-E148 PolarHBondContact O-N 3.41Å; E148-L150 PolarHBondContact O-N 3.38Å; E148-R151 PolarHBondContact O-N 3.3Å; E148-R151 VanDerWaalsContact O-N 3.17Å; E148-R151 WeakPolarHBondContact OE2-CD 3.43Å; E148-R151 IonicContact OE2-CZ 3.87Å; E148-R151 IonicContact OE2-NH1 2.9Å; E148-R151 PolarHBondContact OE2-NH1 2.95Å; E148-N152 WeakPolarHBondContact O-CB 3.39Å; E148-N152 PolarHBondContact O-N 3.2Å |
| 149 | I | 97.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 86.9 Ų | 86.9 | 2% | 0.021 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -56.5 | -41.8 | 170.9 | -61.9 | 169.5 | 0 | 0 | 0 | 110.3 | F129 L132 K133 L144 P145 K146 A153 | F129-I149 HydrophobicContact CD1-CB 4.28Å; F129-I149 HydrophobicContact CD1-CD1 4.14Å; F129-I149 HydrophobicContact CD1-CG2 4.11Å; L132-I149 HydrophobicContact CB-CG2 4.27Å; L132-I149 HydrophobicContact CD2-CG2 3.93Å; L132-I149 HydrophobicContact CG-CG2 3.94Å; K133-I149 HydrophobicContact CB-CD1 4.12Å; K133-I149 HydrophobicContact CB-CG1 4.31Å; K133-I149 HydrophobicContact CB-CG2 4.19Å; K133-I149 HydrophobicContact CD-CD1 4.24Å; K133-I149 HydrophobicContact CG-CD1 4.36Å; K133-I149 HydrophobicContact CG-CG1 4.35Å; L144-I149 HydrophobicContact CB-CD1 4.28Å; L144-I149 HydrophobicContact CB-CG1 3.79Å; L144-I149 HydrophobicContact CD1-CG1 4.47Å; P145-I149 PolarHBondContact O-N 3.39Å; P145-I149 VanDerWaalsContact O-N 3.11Å; K146-I149 PolarHBondContact O-N 3.18Å; I149-A153 PolarHBondContact O-N 3.21Å |
| 150 | L | 98.4 | Very high | 95.6 | Very high | 83 Ų | 83 | 85.2 Ų | 85.2 | 44% | 0.435 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 177 | -64.6 | 174.9 | 0 | 0 | 0 | 112.4 | F129 L132 K146 V147 E148 A153 I154 | F129-L150 HydrophobicContact CE1-CD1 4.46Å; F129-L150 HydrophobicContact CE1-CD2 3.95Å; F129-L150 HydrophobicContact CE1-CG 3.97Å; F129-L150 HydrophobicContact CZ-CD1 4.37Å; F129-L150 HydrophobicContact CZ-CD2 4.14Å; F129-L150 HydrophobicContact CZ-CG 4.3Å; L132-L150 HydrophobicContact CD2-CD2 4.25Å; K146-L150 WeakPolarHBondContact O-CG 3.32Å; K146-L150 PolarHBondContact O-N 3.11Å; V147-L150 PolarHBondContact O-N 3.27Å; E148-L150 PolarHBondContact O-N 3.38Å; L150-A153 WeakPolarHBondContact O-CB 3.46Å; L150-A153 PolarHBondContact O-N 3.49Å; L150-I154 WeakPolarHBondContact O-CG1 3.45Å; L150-I154 PolarHBondContact O-N 3.48Å; L150-I154 VanDerWaalsContact O-N 3.13Å |
| 151 | R | 98.1 | Very high | 96.2 | Very high | 140 Ų | 140 | 87.5 Ų | 87.5 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 175.6 | -71.5 | 171.8 | -176.4 | 161.4 | -4.7 | 111.7 | V147 E148 A153 I154 S155 | V147-R151 WeakPolarHBondContact O-CG 3.47Å; V147-R151 PolarHBondContact O-N 2.79Å; V147-R151 VanDerWaalsContact O-N 3.1Å; E148-R151 PolarHBondContact O-N 3.3Å; E148-R151 VanDerWaalsContact O-N 3.17Å; E148-R151 WeakPolarHBondContact OE2-CD 3.43Å; E148-R151 IonicContact OE2-CZ 3.87Å; E148-R151 IonicContact OE2-NH1 2.9Å; E148-R151 PolarHBondContact OE2-NH1 2.95Å; R151-A153 VanDerWaalsContact C-N 3.27Å; R151-A153 PolarHBondContact O-N 3.11Å; R151-I154 PolarHBondContact O-N 3.42Å; R151-I154 VanDerWaalsContact O-N 3.15Å; R151-S155 PolarHBondContact O-N 2.88Å; R151-S155 PolarHBondContact O-OG 2.66Å |
| 152 | N | 97.4 | Very high | 96.7 | Very high | 45 Ų | 45 | 82.7 Ų | 82.7 | 24% | 0.241 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.5 | -38.4 | 175.8 | -74.6 | -19.5 | 0 | 0 | 0 | 111.9 | E148 S155 Y156 | E148-N152 WeakPolarHBondContact O-CB 3.39Å; E148-N152 PolarHBondContact O-N 3.2Å; N152-S155 PolarHBondContact O-N 3.32Å; N152-Y156 WeakPolarHBondContact O-CB 3.5Å; N152-Y156 PolarHBondContact O-N 3.32Å |
| 153 | A | 98.3 | Very high | 97 | Very high | 12 Ų | 12 | 83.8 Ų | 83.8 | 10% | 0.099 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L132 T136 I149 L150 R151 Y156 I157 | L132-A153 HydrophobicContact CD1-CB 3.86Å; L132-A153 HydrophobicContact CD2-CB 4.07Å; L132-A153 HydrophobicContact CG-CB 4.21Å; T136-A153 HydrophobicContact CG2-CB 3.85Å; I149-A153 PolarHBondContact O-N 3.21Å; L150-A153 WeakPolarHBondContact O-CB 3.46Å; L150-A153 PolarHBondContact O-N 3.49Å; R151-A153 VanDerWaalsContact C-N 3.27Å; R151-A153 PolarHBondContact O-N 3.11Å; A153-Y156 PolarHBondContact O-N 2.97Å; A153-I157 VanDerWaalsContact O-CG1 3.29Å; A153-I157 WeakPolarHBondContact O-CG1 3.46Å; A153-I157 PolarHBondContact O-N 2.95Å |
| 154 | I | 98.2 | Very high | 97.1 | Very high | 97 Ų | 97 | 78.9 Ų | 78.9 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.3 | -52.8 | 176.9 | -64.8 | 164.2 | 0 | 0 | 0 | 109.8 | L150 R151 Y156 I157 E158 | L150-I154 WeakPolarHBondContact O-CG1 3.45Å; L150-I154 PolarHBondContact O-N 3.48Å; L150-I154 VanDerWaalsContact O-N 3.13Å; R151-I154 PolarHBondContact O-N 3.42Å; R151-I154 VanDerWaalsContact O-N 3.15Å; I154-Y156 VanDerWaalsContact C-N 3.27Å; I154-Y156 PolarHBondContact O-N 3.24Å; I154-I157 PolarHBondContact O-N 3.32Å; I154-E158 HydrophobicContact CG2-CG 4.44Å; I154-E158 WeakPolarHBondContact O-CG 3.37Å; I154-E158 PolarHBondContact O-N 3.2Å |
| 155 | S | 98 | Very high | 97.1 | Very high | 66 Ų | 66 | 84.6 Ų | 84.6 | 46% | 0.462 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.3 | -38 | 179.6 | -55.5 | 0 | 0 | 0 | 0 | 112.5 | R151 N152 E158 S159 | R151-S155 PolarHBondContact O-N 2.88Å; R151-S155 PolarHBondContact O-OG 2.66Å; N152-S155 PolarHBondContact O-N 3.32Å; S155-E158 PolarHBondContact O-N 3.4Å; S155-S159 WeakPolarHBondContact O-CB 3.45Å; S155-S159 PolarHBondContact O-N 2.9Å; S155-S159 PolarHBondContact O-OG 3.34Å |
| 156 | Y | 97.8 | Very high | 96.2 | Very high | 104 Ų | 104 | 82.8 Ų | 82.8 | 41% | 0.408 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 177.7 | -174.8 | -115.6 | 0 | 0 | 0 | 111.3 | T136 N152 A153 I154 E158 S159 L160 | T136-Y156 HydrophobicContact CG2-CD1 4.33Å; N152-Y156 WeakPolarHBondContact O-CB 3.5Å; N152-Y156 PolarHBondContact O-N 3.32Å; A153-Y156 PolarHBondContact O-N 2.97Å; I154-Y156 VanDerWaalsContact C-N 3.27Å; I154-Y156 PolarHBondContact O-N 3.24Å; Y156-E158 PolarHBondContact O-N 2.97Å; Y156-S159 PolarHBondContact O-N 3.27Å; Y156-S159 PolarHBondContact O-OG 2.9Å; Y156-L160 HydrophobicContact CD1-CD1 3.91Å; Y156-L160 HydrophobicContact CE1-CD1 3.47Å; Y156-L160 VanDerWaalsContact CE1-CD1 3.47Å; Y156-L160 HydrophobicContact CE1-CG 4.32Å; Y156-L160 HydrophobicContact CE2-CD1 4.32Å; Y156-L160 HydrophobicContact CE2-CD2 4.41Å; Y156-L160 HydrophobicContact CE2-CG 4.33Å; Y156-L160 WeakPolarHBondContact O-CG 3.45Å; Y156-L160 PolarHBondContact O-N 3.22Å |
| 157 | I | 97.8 | Very high | 94.5 | Very high | 90 Ų | 90 | 80.9 Ų | 80.9 | 46% | 0.462 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 175.9 | -67 | 165.3 | 0 | 0 | 0 | 110.8 | A153 I154 S159 L160 Q161 | A153-I157 VanDerWaalsContact O-CG1 3.29Å; A153-I157 WeakPolarHBondContact O-CG1 3.46Å; A153-I157 PolarHBondContact O-N 2.95Å; I154-I157 PolarHBondContact O-N 3.32Å; I157-S159 VanDerWaalsContact C-N 3.32Å; I157-S159 PolarHBondContact O-N 3.44Å; I157-L160 PolarHBondContact O-N 3.41Å; I157-Q161 HydrophobicContact CG2-CG 4.26Å; I157-Q161 WeakPolarHBondContact O-CB 3.26Å; I157-Q161 VanDerWaalsContact O-CG 3.24Å; I157-Q161 WeakPolarHBondContact O-CG 3.4Å; I157-Q161 PolarHBondContact O-N 3Å |
| 158 | E | 98.1 | Very high | 92.6 | Very high | 114 Ų | 114 | 85.3 Ų | 85.3 | 53% | 0.533 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 178.2 | -71.5 | 175.9 | 168.4 | 0 | 0 | 111.8 | I154 S155 Y156 Q161 A162 | I154-E158 HydrophobicContact CG2-CG 4.44Å; I154-E158 WeakPolarHBondContact O-CG 3.37Å; I154-E158 PolarHBondContact O-N 3.2Å; S155-E158 PolarHBondContact O-N 3.4Å; Y156-E158 PolarHBondContact O-N 2.97Å; E158-Q161 PolarHBondContact O-N 2.8Å; E158-A162 WeakPolarHBondContact O-CB 3.14Å; E158-A162 PolarHBondContact O-N 3.23Å |
| 159 | S | 96.9 | Very high | 90.6 | Very high | 64 Ų | 64 | 90.4 Ų | 90.4 | 45% | 0.448 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 177.6 | 74.1 | 0 | 0 | 0 | 0 | 112.7 | S155 Y156 I157 A162 L163 | S155-S159 WeakPolarHBondContact O-CB 3.45Å; S155-S159 PolarHBondContact O-N 2.9Å; S155-S159 PolarHBondContact O-OG 3.34Å; Y156-S159 PolarHBondContact O-N 3.27Å; Y156-S159 PolarHBondContact O-OG 2.9Å; I157-S159 VanDerWaalsContact C-N 3.32Å; I157-S159 PolarHBondContact O-N 3.44Å; S159-A162 PolarHBondContact O-N 3.44Å; S159-L163 PolarHBondContact O-N 2.9Å |
| 160 | L | 97.3 | Very high | 88.4 | Confident | 69 Ų | 69 | 98.4 Ų | 98.4 | 36% | 0.361 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 176.5 | -68.9 | 177.9 | 0 | 0 | 0 | 111.2 | Y156 I157 A162 L163 L164 | Y156-L160 HydrophobicContact CD1-CD1 3.91Å; Y156-L160 HydrophobicContact CE1-CD1 3.47Å; Y156-L160 VanDerWaalsContact CE1-CD1 3.47Å; Y156-L160 HydrophobicContact CE1-CG 4.32Å; Y156-L160 HydrophobicContact CE2-CD1 4.32Å; Y156-L160 HydrophobicContact CE2-CD2 4.41Å; Y156-L160 HydrophobicContact CE2-CG 4.33Å; Y156-L160 WeakPolarHBondContact O-CG 3.45Å; Y156-L160 PolarHBondContact O-N 3.22Å; I157-L160 PolarHBondContact O-N 3.41Å; L160-A162 VanDerWaalsContact C-N 3.33Å; L160-A162 PolarHBondContact O-N 3.42Å; L160-L163 PolarHBondContact O-N 3.19Å; L160-L164 WeakPolarHBondContact O-CG 3.46Å; L160-L164 PolarHBondContact O-N 3.47Å |
| 161 | Q | 96.9 | Very high | 86.2 | Confident | 95 Ų | 95 | 97.3 Ų | 97.3 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 175.6 | -74 | 175.3 | -10.4 | 0 | 0 | 112.2 | I157 E158 R165 | I157-Q161 HydrophobicContact CG2-CG 4.26Å; I157-Q161 WeakPolarHBondContact O-CB 3.26Å; I157-Q161 VanDerWaalsContact O-CG 3.24Å; I157-Q161 WeakPolarHBondContact O-CG 3.4Å; I157-Q161 PolarHBondContact O-N 3Å; E158-Q161 PolarHBondContact O-N 2.8Å; Q161-R165 WeakPolarHBondContact O-CB 3.36Å; Q161-R165 PolarHBondContact O-N 3.27Å; Q161-R165 VanDerWaalsContact O-N 3.13Å |
| 162 | A | 95.9 | Very high | 83.8 | Confident | 61 Ų | 61 | 100.6 Ų | 100.6 | 50% | 0.504 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E158 S159 L160 R165 G166 | E158-A162 WeakPolarHBondContact O-CB 3.14Å; E158-A162 PolarHBondContact O-N 3.23Å; S159-A162 PolarHBondContact O-N 3.44Å; L160-A162 VanDerWaalsContact C-N 3.33Å; L160-A162 PolarHBondContact O-N 3.42Å; A162-R165 PolarHBondContact O-N 3.36Å; A162-G166 PolarHBondContact O-N 2.89Å |
| 163 | L | 96 | Very high | 81.4 | Confident | 128 Ų | 128 | 108.2 Ų | 108.2 | 67% | 0.67 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.3 | -44.6 | 178 | -174.4 | 64.2 | 0 | 0 | 0 | 112.2 | S159 L160 R165 G167 | S159-L163 PolarHBondContact O-N 2.9Å; L160-L163 PolarHBondContact O-N 3.19Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 3.18Å; L163-G167 PolarHBondContact O-N 2.9Å |
| 164 | L | 94.9 | Very high | 79 | Confident | 136 Ų | 136 | 112.4 Ų | 112.4 | 71% | 0.712 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.6 | -32.4 | 178.6 | -71.6 | 173.6 | 0 | 0 | 0 | 113 | L160 | L160-L164 WeakPolarHBondContact O-CG 3.46Å; L160-L164 PolarHBondContact O-N 3.47Å |
| 165 | R | 92.8 | Very high | 76.8 | Confident | 154 Ų | 154 | 114.1 Ų | 114.1 | 58% | 0.581 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -76.4 | -43.2 | 178.1 | -155.1 | -173.4 | -35.9 | -88.8 | -4.3 | 111.6 | Q161 A162 L163 Q168 | Q161-R165 WeakPolarHBondContact O-CB 3.36Å; Q161-R165 PolarHBondContact O-N 3.27Å; Q161-R165 VanDerWaalsContact O-N 3.13Å; A162-R165 PolarHBondContact O-N 3.36Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 3.18Å; R165-Q168 PolarHBondContact O-N 3.12Å |
| 166 | G | 77.1 | Confident | 74.8 | Confident | 41 Ų | 41 | 117.3 Ų | 117.3 | 42% | 0.423 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.7 | -33.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A162 Q168 E169 E170 | A162-G166 PolarHBondContact O-N 2.89Å; G166-Q168 PolarHBondContact O-N 3.15Å; G166-E169 PolarHBondContact O-N 3.47Å; G166-E170 PolarHBondContact O-N 3.34Å |
| 167 | G | 62.2 | Low | 72.5 | Confident | 56 Ų | 56 | 119.5 Ų | 119.5 | 58% | 0.577 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -10.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L163 | L163-G167 PolarHBondContact O-N 2.9Š|
| 168 | Q | 58 | Low | 70.4 | Confident | 170 Ų | 170 | 124.2 Ų | 124.2 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -18 | 172.7 | -139.3 | -169.9 | 4.9 | 0 | 0 | 112.6 | R165 G166 | R165-Q168 PolarHBondContact O-N 3.12Å; G166-Q168 PolarHBondContact O-N 3.15Å |
| 169 | E | 55.6 | Low | 67.8 | Low | 169 Ų | 169 | 128.8 Ų | 128.8 | 79% | 0.79 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -22.8 | -179.3 | -62.6 | -174.2 | -178.1 | 0 | 0 | 112.7 | G166 G171 | G166-E169 PolarHBondContact O-N 3.47Å; E169-G171 PolarHBondContact O-N 3.49Å; E169-G171 VanDerWaalsContact O-N 3.13Å |
| 170 | E | 50.9 | Low | 66 | Low | 172 Ų | 172 | 131.4 Ų | 131.4 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -85.9 | 45.8 | 168.4 | -70.6 | -158.2 | 171.2 | 0 | 0 | 112.7 | G166 F172 | G166-E170 PolarHBondContact O-N 3.34Å; E170-F172 PolarHBondContact O-N 2.61Å | ||
| 171 | G | 51.1 | Low | 63.3 | Low | 61 Ų | 61 | 131.5 Ų | 131.5 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | trans | -64.2 | 83.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | E169 Y173 | E169-G171 PolarHBondContact O-N 3.49Å; E169-G171 VanDerWaalsContact O-N 3.13Å; G171-Y173 PolarHBondContact O-N 2.08Å | ||
| 172 | F | 48 | Very low | 61 | Low | 208 Ų | 208 | 134.8 Ų | 134.8 | 91% | 0.912 | 72% | 0.724 | S | S | * | * | trans | -70.3 | 57.6 | 169.8 | -156.4 | -90.4 | 0 | 0 | 0 | 110.1 | E170 | E170-F172 PolarHBondContact O-N 2.61Š| ||
| 173 | Y | 46.9 | Very low | 59.1 | Low | 205 Ų | 205 | 137.2 Ų | 137.2 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -124.4 | 109.7 | 163.7 | -141 | -93.8 | 0 | 0 | 0 | 106.6 | G171 V175 | G171-Y173 PolarHBondContact O-N 2.08Å; Y173-V175 PolarHBondContact O-N 2.86Å | ||
| 174 | P | 49.6 | Very low | 57.1 | Low | 100 Ų | 100 | 138.3 Ų | 138.3 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | trans | -60.4 | 131.5 | 174.2 | 26.7 | -29.3 | 0 | 0 | 0 | 106.8 | L176 | P174-L176 PolarHBondContact O-N 3.46Š| ||
| 175 | V | 51 | Low | 54.8 | Low | 133 Ų | 133 | 136.4 Ų | 136.4 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | trans | -60.2 | 78 | 166.5 | 178.1 | 0 | 0 | 0 | 0 | 107.4 | Y173 | Y173-V175 PolarHBondContact O-N 2.86Š| ||
| 176 | L | 56.9 | Low | 52.8 | Low | 133 Ų | 133 | 134 Ų | 134 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | trans | -89.9 | 133.9 | 156.5 | -158.1 | 92.4 | 0 | 0 | 0 | 104.9 | P174 | P174-L176 PolarHBondContact O-N 3.46Š| ||
| 177 | E | 48.2 | Very low | 51.3 | Low | 151 Ų | 151 | 137.7 Ų | 137.7 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | 82.4 | 70.5 | 174.4 | -61.5 | 160.5 | 151.8 | 0 | 0 | 115.8 | ||||
| 178 | H | 53.8 | Low | 50.9 | Low | 189 Ų | 189 | 140.9 Ų | 140.9 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | -93.4 | 69.6 | 125.6 | -80.3 | 24.7 | 0 | 0 | 0 | 107.9 | |||||
| 179 | Y | 43.6 | Very low | 50.6 | Low | 210 Ų | 210 | 143.7 Ų | 143.7 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -79.7 | 129.2 | 160 | -151.3 | -95.3 | 0 | 0 | 0 | 106.9 | ||||
| 180 | S | 59.8 | Low | 50.2 | Low | 119 Ų | 119 | 141.2 Ų | 141.2 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -43.5 | 143.4 | 177.2 | -64.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 181 | G | 41 | Very low | 50.3 | Low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | -173 | 77.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S183 | G181-S183 PolarHBondContact O-N 3.1Š| ||
| 182 | D | 46.7 | Very low | 49.8 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -40.5 | 118.3 | 155.5 | -104.1 | -77.2 | 0 | 0 | 0 | 109.9 | ||||
| 183 | S | 57.2 | Low | 50.2 | Low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -155.3 | 92.9 | 157.1 | -78.5 | 0 | 0 | 0 | 0 | 109.2 | G181 A185 | G181-S183 PolarHBondContact O-N 3.1Å; S183-A185 PolarHBondContact O-N 3.22Å | ||
| 184 | D | 53.9 | Low | 50.1 | Low | 151 Ų | 151 | 132.8 Ų | 132.8 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -37.9 | 115.8 | 149.9 | -128.6 | -38.5 | 0 | 0 | 0 | 111.1 | ||||
| 185 | A | 47.3 | Very low | 50.3 | Low | 96 Ų | 96 | 131.3 Ų | 131.3 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | -140.8 | 78.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | S183 S187 | S183-A185 PolarHBondContact O-N 3.22Å; A185-S187 PolarHBondContact O-N 3.36Å | ||
| 186 | S | 50.1 | Low | 50.8 | Low | 104 Ų | 104 | 130.7 Ų | 130.7 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -50.7 | 125.9 | 164.7 | -81.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 187 | S | 46.3 | Very low | 51 | Low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -153 | 147.7 | 143.7 | -85.5 | 0 | 0 | 0 | 0 | 110.7 | A185 | A185-S187 PolarHBondContact O-N 3.36Š| ||
| 188 | P | 52.4 | Low | 51.1 | Low | 124 Ų | 124 | 131.5 Ų | 131.5 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | trans | -93.1 | 149.6 | -138.1 | 33.7 | -33.7 | 0 | 0 | 0 | 114.7 | ||||
| 189 | R | 51.8 | Low | 50.4 | Low | 228 Ų | 228 | 132.1 Ų | 132.1 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -45.3 | 128.5 | 167.4 | -62.1 | 161.3 | 71.1 | -171.4 | 3.2 | 111.8 | ||||
| 190 | S | 46.8 | Very low | 50.3 | Low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -108 | 123.7 | 145.4 | 61.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 191 | N | 53.8 | Low | 49.4 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | trans | -110.2 | 110.5 | -175.6 | 178.4 | 89 | 0 | 0 | 0 | 107.8 | ||||
| 192 | C | 41.5 | Very low | 49.6 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -128.5 | 97.6 | 152.2 | 0.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 193 | S | 55 | Low | 49.3 | Very low | 91 Ų | 91 | 127 Ų | 127 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -4.9 | 129.1 | 149.1 | 40.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 194 | D | 45.6 | Very low | 48.7 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | 66.7 | 113.7 | 71.6 | -167.8 | 34.3 | 0 | 0 | 0 | 111.9 | |||||
| 195 | G | 53.6 | Low | 47.8 | Very low | 70 Ų | 70 | 132.2 Ų | 132.2 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -178.5 | 61.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 196 | M | 62.3 | Low | 47.3 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 59% | 0.586 | 78% | 0.777 | S | S | * | * | trans | -48.9 | 137.9 | 166.3 | 59.7 | -77.5 | -82 | 0 | 0 | 111.6 | ||||
| 197 | M | 60.9 | Low | 46.4 | Very low | 166 Ų | 166 | 140 Ų | 140 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | -151.5 | 116.1 | 127 | -90.9 | -47.6 | 150.3 | 0 | 0 | 109.8 | |||||
| 198 | D | 48.9 | Very low | 46.2 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -58.9 | 129.1 | 165.7 | -51.1 | -81.9 | 0 | 0 | 0 | 110.3 | ||||
| 199 | F | 40.4 | Very low | 45.3 | Very low | 202 Ų | 202 | 143 Ų | 143 | 89% | 0.886 | 77% | 0.774 | S | S | * | * | trans | -123.1 | 85.2 | 155.5 | -116.8 | -87.2 | 0 | 0 | 0 | 109 | G201 | F199-G201 PolarHBondContact O-N 3.09Š| ||
| 200 | N | 40.7 | Very low | 44.3 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | -55.3 | 118.8 | 154.4 | -89.7 | -2.1 | 0 | 0 | 0 | 108.5 | ||||
| 201 | G | 41.9 | Very low | 43.6 | Very low | 64 Ų | 64 | 135.4 Ų | 135.4 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | trans | -67.3 | 176.1 | 167 | 0 | 0 | 0 | 0 | 0 | 112.3 | F199 | F199-G201 PolarHBondContact O-N 3.09Š| ||
| 202 | P | 45.2 | Very low | 43.2 | Very low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | -117.3 | 118.3 | 137 | 2.2 | 17.5 | 0 | 0 | 0 | 110 | R204 | P202-R204 PolarHBondContact O-N 3.47Š| ||
| 203 | S | 38.9 | Very low | 42.8 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -55.7 | 129.4 | 151.8 | -71.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 204 | R | 44.8 | Very low | 41.8 | Very low | 242 Ų | 242 | 142 Ų | 142 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | trans | -133.6 | 112.6 | 151.1 | -70.6 | -158.2 | -178 | -96.1 | 0.4 | 109.4 | P202 | P202-R204 PolarHBondContact O-N 3.47Š| ||
| 205 | T | 35.3 | Very low | 41.3 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -98.5 | 146 | 165.6 | 47.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 206 | R | 36.9 | Very low | 40.2 | Very low | 247 Ų | 247 | 144.4 Ų | 144.4 | 93% | 0.932 | 76% | 0.764 | S | S | * | * | trans | 75 | 139.8 | 173 | -60.3 | -176.3 | 170 | -178.8 | -2.6 | 115.4 | ||||
| 207 | S | 30.4 | Very low | 38.9 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | cis | -159.8 | 159.7 | 26.8 | -173.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 208 | F | 43.3 | Very low | 37.6 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | -63.7 | 140.1 | 174.1 | 168.8 | -88.6 | 0 | 0 | 0 | 113.2 | ||||
| 209 | D | 33.7 | Very low | 37 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | -168.6 | 141.1 | 129 | -130.7 | -42 | 0 | 0 | 0 | 115.1 | |||||
| 210 | S | 30.6 | Very low | 36.7 | Very low | 84 Ų | 84 | 138.8 Ų | 138.8 | 59% | 0.587 | 77% | 0.767 | S | S | * | * | trans | 41.3 | 129.9 | 143.9 | -75.6 | 0 | 0 | 0 | 0 | 126 | ||||
| 211 | S | 31.4 | Very low | 36.4 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | 73.5 | 112.5 | 128.5 | 73.7 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 212 | S | 44.7 | Very low | 36.8 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | 0.5 | 126.1 | 123.2 | 170.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 213 | F | 34.9 | Very low | 36.4 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | -171.9 | 157.1 | 126.9 | -107.8 | -79.1 | 0 | 0 | 0 | 111.7 | |||||
| 214 | F | 33.1 | Very low | 36.5 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -44.4 | 151.2 | -176 | -97.6 | -126.7 | 0 | 0 | 0 | 119.4 | ||||
| 215 | S | 34.7 | Very low | 36 | Very low | 86 Ų | 86 | 139.2 Ų | 139.2 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | trans | 68.5 | 138.3 | 133.6 | -56.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 216 | E | 31.1 | Very low | 36.3 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | 98.6 | 125.5 | 125.8 | -111.2 | 172 | 118.3 | 0 | 0 | 122.3 | |||||
| 217 | T | 34.2 | Very low | 36.6 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | trans | 100.1 | 123.6 | 138.5 | 63.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 218 | L | 34.1 | Very low | 37.6 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | 66.7 | 110.7 | 136 | -93.2 | 99.6 | 0 | 0 | 0 | 122.2 | ||||
| 219 | N | 36.7 | Very low | 38.2 | Very low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | 39.7 | 115.7 | 113 | -80 | -46 | 0 | 0 | 0 | 118.8 | |||||
| 220 | A | 33.5 | Very low | 39.6 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | 177 | 119.1 | 114.2 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 221 | G | 34.3 | Very low | 41.8 | Very low | 77 Ų | 77 | 131.8 Ų | 131.8 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | 81.9 | 160.5 | 134.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 222 | P | 51.2 | Low | 44 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | -113.8 | 148.3 | -130.7 | 37 | -27.4 | 0 | 0 | 0 | 113.5 | ||||
| 223 | K | 36.7 | Very low | 46 | Very low | 201 Ų | 201 | 132.4 Ų | 132.4 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | trans | 164.1 | 129.1 | 130.9 | -90.4 | 160.1 | -177.2 | 177.6 | 0 | 112.6 | ||||
| 224 | R | 40.8 | Very low | 48.4 | Very low | 252 Ų | 252 | 127.6 Ų | 127.6 | 95% | 0.951 | 72% | 0.72 | S | S | * | * | trans | 72.1 | 112.4 | 134.8 | -157 | 176.4 | -152.4 | -95 | 1.4 | 118 | ||||
| 225 | G | 35 | Very low | 50.8 | Low | 66 Ų | 66 | 122 Ų | 122 | 68% | 0.68 | 70% | 0.703 | S | S | * | * | trans | 134.2 | 72.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S227 | G225-S227 VanDerWaalsContact C-N 3.28Å; G225-S227 PolarHBondContact O-N 3.25Å | ||
| 226 | R | 41.6 | Very low | 53.5 | Low | 253 Ų | 253 | 123.2 Ų | 123.2 | 96% | 0.955 | 70% | 0.702 | S | S | * | * | trans | -56.4 | 101.2 | 161.3 | -72.3 | 174.6 | 140.4 | -174 | -7.6 | 105.7 | S228 | R226-S228 PolarHBondContact O-N 2.64Å; R226-S228 VanDerWaalsContact O-N 3.13Å | ||
| 227 | S | 43 | Very low | 56.1 | Low | 95 Ų | 95 | 118.3 Ų | 118.3 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | trans | -57.1 | 123.1 | 163.3 | 52.9 | 0 | 0 | 0 | 0 | 105 | G225 V229 | G225-S227 VanDerWaalsContact C-N 3.28Å; G225-S227 PolarHBondContact O-N 3.25Å; S227-V229 PolarHBondContact O-N 3.1Å | ||
| 228 | S | 51.6 | Low | 58.6 | Low | 110 Ų | 110 | 115.9 Ų | 115.9 | 77% | 0.769 | 67% | 0.674 | S | S | * | * | trans | -62.5 | 74.6 | 171.6 | 174.8 | 0 | 0 | 0 | 0 | 107.8 | R226 V230 | R226-S228 PolarHBondContact O-N 2.64Å; R226-S228 VanDerWaalsContact O-N 3.13Å; S228-V230 PolarHBondContact O-N 3.47Å | ||
| 229 | V | 54.7 | Low | 61.3 | Low | 120 Ų | 120 | 112.5 Ų | 112.5 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | trans | -72 | 94.1 | 163.9 | -169 | 0 | 0 | 0 | 0 | 103.6 | S227 S231 | S227-V229 PolarHBondContact O-N 3.1Å; V229-S231 PolarHBondContact O-N 3.16Å | ||
| 230 | V | 63.3 | Low | 63.9 | Low | 82 Ų | 82 | 109.6 Ų | 109.6 | 50% | 0.497 | 64% | 0.643 | S | S | . | * | trans | -51.5 | 116.9 | 173.1 | 179.4 | 0 | 0 | 0 | 0 | 106.3 | S228 S232 D234 C235 | S228-V230 PolarHBondContact O-N 3.47Å; V230-S232 PolarHBondContact O-N 3.48Å; V230-D234 HydrophobicContact CG1-CB 4.02Å; V230-C235 WeakPolarHBondContact CG1-SG 3.33Å | ||
| 231 | S | 77.3 | Confident | 66.4 | Low | 63 Ų | 63 | 111.2 Ų | 111.2 | 44% | 0.441 | 63% | 0.633 | S | S | . | * | trans | -61.6 | 137.1 | 178.7 | -177.4 | 0 | 0 | 0 | 0 | 107.2 | V229 L233 D234 C235 | V229-S231 PolarHBondContact O-N 3.16Å; S231-L233 PolarHBondContact O-N 3.04Å; S231-D234 WeakPolarHBondContact CB-OD2 3.48Å; S231-D234 WeakPolarHBondContact O-CB 3.38Å; S231-D234 PolarHBondContact O-N 3.4Å; S231-C235 PolarHBondContact O-N 2.93Å | ||
| 232 | S | 78 | Confident | 68.8 | Low | 98 Ų | 98 | 115 Ų | 115 | 69% | 0.685 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -52.7 | -25.2 | 179.3 | -50.8 | 0 | 0 | 0 | 0 | 112.2 | V230 L236 | V230-S232 PolarHBondContact O-N 3.48Å; S232-L236 WeakPolarHBondContact O-CG 3.25Å; S232-L236 PolarHBondContact O-N 3.43Å |
| 233 | L | 87.1 | Confident | 70.2 | Confident | 117 Ų | 117 | 115.1 Ų | 115.1 | 61% | 0.613 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.8 | -35.9 | 176.4 | -148.6 | 146 | 0 | 0 | 0 | 112.9 | S231 L236 S237 | S231-L233 PolarHBondContact O-N 3.04Å; L233-L236 PolarHBondContact O-N 3.09Å; L233-S237 PolarHBondContact O-N 2.75Å; L233-S237 PolarHBondContact O-OG 3.21Å |
| 234 | D | 85.4 | Confident | 72.4 | Confident | 95 Ų | 95 | 109.7 Ų | 109.7 | 51% | 0.508 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.4 | -36.3 | 175.2 | -66.4 | -43.2 | 0 | 0 | 0 | 111.8 | V230 S231 L236 S237 S238 | V230-D234 HydrophobicContact CG1-CB 4.02Å; S231-D234 WeakPolarHBondContact CB-OD2 3.48Å; S231-D234 WeakPolarHBondContact O-CB 3.38Å; S231-D234 PolarHBondContact O-N 3.4Å; D234-L236 VanDerWaalsContact C-N 3.32Å; D234-L236 PolarHBondContact O-N 3.18Å; D234-S237 PolarHBondContact O-N 3.47Å; D234-S238 WeakPolarHBondContact O-CB 3.44Å; D234-S238 PolarHBondContact O-N 3.29Å |
| 235 | C | 82.4 | Confident | 73.5 | Confident | 62 Ų | 62 | 102.4 Ų | 102.4 | 42% | 0.419 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -59.9 | -43.7 | 171.6 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | V230 S231 I239 | V230-C235 WeakPolarHBondContact CG1-SG 3.33Å; S231-C235 PolarHBondContact O-N 2.93Å; C235-I239 WeakPolarHBondContact O-CD1 3.4Å; C235-I239 VanDerWaalsContact O-CG1 3.24Å; C235-I239 WeakPolarHBondContact O-CG1 3.47Å; C235-I239 PolarHBondContact O-N 3Å; C235-I239 VanDerWaalsContact O-N 3.16Å |
| 236 | L | 90.9 | Very high | 74.5 | Confident | 112 Ų | 112 | 106.1 Ų | 106.1 | 59% | 0.586 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68 | -41.7 | 179.2 | -68 | 172.7 | 0 | 0 | 0 | 111.4 | S232 L233 D234 S238 I239 V240 | S232-L236 WeakPolarHBondContact O-CG 3.25Å; S232-L236 PolarHBondContact O-N 3.43Å; L233-L236 PolarHBondContact O-N 3.09Å; D234-L236 VanDerWaalsContact C-N 3.32Å; D234-L236 PolarHBondContact O-N 3.18Å; L236-S238 PolarHBondContact O-N 3.1Å; L236-I239 PolarHBondContact O-N 3.26Å; L236-V240 WeakPolarHBondContact O-CG2 3.43Å; L236-V240 PolarHBondContact O-N 3.35Å |
| 237 | S | 85.9 | Confident | 75.3 | Confident | 63 Ų | 63 | 97.5 Ų | 97.5 | 44% | 0.441 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.9 | -43 | 175.6 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | L233 D234 I239 V240 E241 | L233-S237 PolarHBondContact O-N 2.75Å; L233-S237 PolarHBondContact O-OG 3.21Å; D234-S237 PolarHBondContact O-N 3.47Å; S237-I239 VanDerWaalsContact C-N 3.3Å; S237-I239 PolarHBondContact O-N 3.17Å; S237-V240 PolarHBondContact O-N 2.91Å; S237-E241 WeakPolarHBondContact O-CB 3.15Å; S237-E241 PolarHBondContact O-N 3.45Å |
| 238 | S | 86.8 | Confident | 75.7 | Confident | 58 Ų | 58 | 98.3 Ų | 98.3 | 41% | 0.406 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.7 | -28.6 | 176.8 | -180 | 0 | 0 | 0 | 0 | 113.4 | D234 L236 R242 | D234-S238 WeakPolarHBondContact O-CB 3.44Å; D234-S238 PolarHBondContact O-N 3.29Å; L236-S238 PolarHBondContact O-N 3.1Å; S238-R242 WeakPolarHBondContact O-CG 3.39Å; S238-R242 PolarHBondContact O-N 3.38Å; S238-R242 PolarHBondContact O-NE 3.46Å |
| 239 | I | 91.3 | Very high | 75.7 | Confident | 73 Ų | 73 | 97.9 Ų | 97.9 | 37% | 0.374 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.2 | -46.2 | 173.6 | -68.2 | 161.7 | 0 | 0 | 0 | 110.2 | C235 L236 S237 R242 I243 | C235-I239 WeakPolarHBondContact O-CD1 3.4Å; C235-I239 VanDerWaalsContact O-CG1 3.24Å; C235-I239 WeakPolarHBondContact O-CG1 3.47Å; C235-I239 PolarHBondContact O-N 3Å; C235-I239 VanDerWaalsContact O-N 3.16Å; L236-I239 PolarHBondContact O-N 3.26Å; S237-I239 VanDerWaalsContact C-N 3.3Å; S237-I239 PolarHBondContact O-N 3.17Å; I239-R242 PolarHBondContact O-N 3.08Å; I239-I243 HydrophobicContact CG2-CD1 3.75Å; I239-I243 WeakPolarHBondContact O-CD1 3.43Å; I239-I243 VanDerWaalsContact O-CG1 3.29Å; I239-I243 WeakPolarHBondContact O-CG1 3.21Å; I239-I243 PolarHBondContact O-N 3.27Å |
| 240 | V | 90.9 | Very high | 74.9 | Confident | 89 Ų | 89 | 100.4 Ų | 100.4 | 54% | 0.539 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.8 | -45.2 | 179.4 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | L236 S237 R242 I243 S244 | L236-V240 WeakPolarHBondContact O-CG2 3.43Å; L236-V240 PolarHBondContact O-N 3.35Å; S237-V240 PolarHBondContact O-N 2.91Å; V240-R242 VanDerWaalsContact C-N 3.33Å; V240-R242 PolarHBondContact O-N 3.39Å; V240-I243 PolarHBondContact O-N 3.4Å; V240-I243 VanDerWaalsContact O-N 3.16Å; V240-S244 PolarHBondContact O-N 3.46Å; V240-S244 PolarHBondContact O-OG 3.18Å |
| 241 | E | 85.8 | Confident | 73.6 | Confident | 136 Ų | 136 | 105.6 Ų | 105.6 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59 | -43.5 | 179.7 | -170 | 173.8 | -162.7 | 0 | 0 | 111.9 | S237 I243 S244 T245 | S237-E241 WeakPolarHBondContact O-CB 3.15Å; S237-E241 PolarHBondContact O-N 3.45Å; E241-I243 PolarHBondContact O-N 2.94Å; E241-S244 PolarHBondContact O-N 3.09Å; E241-T245 WeakPolarHBondContact O-CG2 3.45Å; E241-T245 PolarHBondContact O-N 3.23Å; E241-T245 PolarHBondContact O-OG1 3.37Å; E241-T245 VanDerWaalsContact O-OG1 3.12Å |
| 242 | R | 85 | Confident | 71.9 | Confident | 157 Ų | 157 | 108.2 Ų | 108.2 | 59% | 0.592 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.9 | -41.7 | 175.4 | -76.7 | -174.3 | -68.3 | 153.4 | -3 | 113 | S238 I239 V240 S244 T245 D246 | S238-R242 WeakPolarHBondContact O-CG 3.39Å; S238-R242 PolarHBondContact O-N 3.38Å; S238-R242 PolarHBondContact O-NE 3.46Å; I239-R242 PolarHBondContact O-N 3.08Å; V240-R242 VanDerWaalsContact C-N 3.33Å; V240-R242 PolarHBondContact O-N 3.39Å; R242-S244 VanDerWaalsContact C-N 3.34Å; R242-T245 WeakPolarHBondContact CA-OG1 3.42Å; R242-T245 PolarHBondContact O-N 3.04Å; R242-T245 PolarHBondContact O-OG1 3.03Å; R242-D246 WeakPolarHBondContact O-CB 3.2Å; R242-D246 PolarHBondContact O-N 2.95Å |
| 243 | I | 81.4 | Confident | 69.5 | Low | 115 Ų | 115 | 106.8 Ų | 106.8 | 59% | 0.59 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.8 | -38.5 | 179.4 | -62.4 | 163.2 | 0 | 0 | 0 | 110.5 | I239 V240 E241 T245 G247 | I239-I243 HydrophobicContact CG2-CD1 3.75Å; I239-I243 WeakPolarHBondContact O-CD1 3.43Å; I239-I243 VanDerWaalsContact O-CG1 3.29Å; I239-I243 WeakPolarHBondContact O-CG1 3.21Å; I239-I243 PolarHBondContact O-N 3.27Å; V240-I243 PolarHBondContact O-N 3.4Å; V240-I243 VanDerWaalsContact O-N 3.16Å; E241-I243 PolarHBondContact O-N 2.94Å; I243-T245 VanDerWaalsContact C-N 3.35Å; I243-G247 PolarHBondContact O-N 2.83Å |
| 244 | S | 82.9 | Confident | 67.6 | Low | 87 Ų | 87 | 107 Ų | 107 | 61% | 0.608 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.9 | -31.9 | 177 | -63.1 | 0 | 0 | 0 | 0 | 112.9 | V240 E241 R242 | V240-S244 PolarHBondContact O-N 3.46Å; V240-S244 PolarHBondContact O-OG 3.18Å; E241-S244 PolarHBondContact O-N 3.09Å; R242-S244 VanDerWaalsContact C-N 3.34Å |
| 245 | T | 63.3 | Low | 65.2 | Low | 100 Ų | 100 | 111.4 Ų | 111.4 | 61% | 0.613 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -79.2 | -32.9 | 176.4 | 52.9 | 0 | 0 | 0 | 0 | 113.5 | E241 R242 I243 | E241-T245 WeakPolarHBondContact O-CG2 3.45Å; E241-T245 PolarHBondContact O-N 3.23Å; E241-T245 PolarHBondContact O-OG1 3.37Å; E241-T245 VanDerWaalsContact O-OG1 3.12Å; R242-T245 WeakPolarHBondContact CA-OG1 3.42Å; R242-T245 PolarHBondContact O-N 3.04Å; R242-T245 PolarHBondContact O-OG1 3.03Å; I243-T245 VanDerWaalsContact C-N 3.35Å |
| 246 | D | 57 | Low | 62.8 | Low | 143 Ų | 143 | 115.8 Ų | 115.8 | 77% | 0.765 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -75.9 | -24.1 | -176 | -154.9 | -111.5 | 0 | 0 | 0 | 112.6 | R242 S248 | R242-D246 WeakPolarHBondContact O-CB 3.2Å; R242-D246 PolarHBondContact O-N 2.95Å; D246-S248 VanDerWaalsContact C-N 3.31Å; D246-S248 PolarHBondContact O-N 3.32Å |
| 247 | G | 57.8 | Low | 60.4 | Low | 73 Ų | 73 | 121.4 Ų | 121.4 | 75% | 0.753 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -2.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | I243 | I243-G247 PolarHBondContact O-N 2.83Š|
| 248 | S | 51.8 | Low | 57.8 | Low | 111 Ų | 111 | 122.2 Ų | 122.2 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 8.5 | -169.3 | -150.2 | 0 | 0 | 0 | 0 | 115.6 | D246 | D246-S248 VanDerWaalsContact C-N 3.31Å; D246-S248 PolarHBondContact O-N 3.32Å |
| 249 | S | 50.7 | Low | 55.4 | Low | 101 Ų | 101 | 125 Ų | 125 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | -133 | 58.5 | -178.4 | -175.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 250 | L | 38.3 | Very low | 53.3 | Low | 173 Ų | 173 | 127 Ų | 127 | 91% | 0.906 | 74% | 0.744 | S | S | * | * | trans | -146.6 | 102.6 | 155.9 | -72.2 | 178.4 | 0 | 0 | 0 | 109.9 | ||||
| 251 | Q | 36.5 | Very low | 50.7 | Low | 192 Ų | 192 | 128.7 Ų | 128.7 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 134.1 | 163.4 | -85.1 | -102.8 | -48.5 | 0 | 0 | 109 | ||
| 252 | P | 40.5 | Very low | 48.1 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 128.2 | 169.4 | 32.4 | -24.9 | 0 | 0 | 0 | 111.3 | ||
| 253 | G | 28.2 | Very low | 45.6 | Very low | 68 Ų | 68 | 124.8 Ų | 124.8 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 152.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 254 | P | 47.4 | Very low | 43.3 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 132 | -166.1 | 35.3 | -28.9 | 0 | 0 | 0 | 111.8 | ||
| 255 | E | 35.2 | Very low | 41.6 | Very low | 188 Ų | 188 | 124.9 Ų | 124.9 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -126.7 | 100.2 | 169.3 | -67.4 | -73.7 | 139.4 | 0 | 0 | 109.1 | ||||
| 256 | D | 31.8 | Very low | 40.2 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 23.9 | 139.1 | 140.3 | -147.8 | 18.4 | 0 | 0 | 0 | 122.3 | ||||
| 257 | Y | 39.6 | Very low | 39.2 | Very low | 230 Ų | 230 | 126.5 Ų | 126.5 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -81.8 | 142.6 | 178.2 | -83.5 | -99 | 0 | 0 | 0 | 111.7 | ||||
| 258 | G | 31.8 | Very low | 38.1 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | 177.6 | 87.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 259 | S | 37.5 | Very low | 37.2 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -84.1 | 152 | 151.6 | -151.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 260 | P | 46.7 | Very low | 36.3 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | -153.2 | 156.7 | 92.1 | 35.8 | -15.4 | 0 | 0 | 0 | 117.6 | |||||
| 261 | T | 34.9 | Very low | 36.1 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -0.1 | 142 | 146.4 | 65.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 262 | S | 32.4 | Very low | 36 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 162.1 | 146.4 | 107 | -168.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 263 | A | 32.9 | Very low | 35.9 | Very low | 95 Ų | 95 | 132.7 Ų | 132.7 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | 90 | 122.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 264 | A | 33.3 | Very low | 36.2 | Very low | 92 Ų | 92 | 138 Ų | 138 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | -74.7 | -165.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 265 | P | 47.2 | Very low | 35.9 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | cis | -150.7 | 174.9 | 19 | 42.7 | -19.6 | 0 | 0 | 0 | 119.9 | ||||
| 266 | L | 32.3 | Very low | 35.7 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 42.9 | 132.8 | 138.3 | -74.4 | 161.3 | 0 | 0 | 0 | 123.9 | ||||
| 267 | S | 37 | Very low | 35.8 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | 158.5 | 157.6 | 126.2 | 42.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 268 | E | 34.4 | Very low | 35.7 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | cis | -172.6 | 170 | -36.3 | -134.1 | -134.3 | 120.4 | 0 | 0 | 105.2 | ||||
| 269 | A | 33.1 | Very low | 36.4 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | 79.1 | 122.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 270 | G | 32.1 | Very low | 36.3 | Very low | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | -114.6 | -164.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 271 | K | 33.7 | Very low | 35.7 | Very low | 204 Ų | 204 | 133.4 Ų | 133.4 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | -172.3 | 129 | 148.4 | -150.2 | 136.5 | -177.2 | 173.8 | 0 | 111.4 | ||||
| 272 | A | 34.7 | Very low | 35.9 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -96.7 | 147.9 | 164 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 273 | R | 37 | Very low | 36.1 | Very low | 246 Ų | 246 | 135.8 Ų | 135.8 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | trans | -153.3 | 140.5 | 156 | -115.8 | -179.8 | 179.5 | -171.6 | -2.1 | 111.7 | ||||
| 274 | E | 34.5 | Very low | 36.3 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -62.6 | 168.7 | -176.5 | -121.3 | -156.6 | 126.7 | 0 | 0 | 116.4 | ||||
| 275 | P | 41.5 | Very low | 36.6 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | trans | -101.2 | 146.7 | 179.2 | 37.3 | -25.3 | 0 | 0 | 0 | 113.5 | ||||
| 276 | T | 31.2 | Very low | 36.3 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | trans | -140.4 | 116.1 | 173.8 | -56.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 277 | Q | 33.8 | Very low | 36.9 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 72.5 | 131.1 | 142.3 | -69.6 | 170.9 | -5.2 | 0 | 0 | 124.2 | ||||
| 278 | I | 38.7 | Very low | 37.2 | Very low | 147 Ų | 147 | 141 Ų | 141 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -76.1 | 163.1 | 164.6 | -45.6 | 168.7 | 0 | 0 | 0 | 109.5 | S280 | I278-S280 VanDerWaalsContact CG2-N 3.32Š| ||
| 279 | P | 45.3 | Very low | 37.8 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | -142 | 135.4 | 101.7 | 29.9 | -11.5 | 0 | 0 | 0 | 116.3 | |||||
| 280 | S | 35.2 | Very low | 38.4 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | 21.7 | 133.3 | 141.4 | -50.8 | 0 | 0 | 0 | 0 | 122.7 | I278 | I278-S280 VanDerWaalsContact CG2-N 3.32Š| ||
| 281 | S | 33.5 | Very low | 39 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | -161.5 | 126.3 | 116.9 | 27.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 282 | L | 40.5 | Very low | 39.4 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -70.3 | 150.1 | 167.7 | -95.2 | 137.7 | 0 | 0 | 0 | 110.9 | ||||
| 283 | V | 37.1 | Very low | 39.8 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | -179.6 | 102.7 | 121.6 | 164.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 284 | N | 36 | Very low | 40.2 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | 25.8 | 121.5 | 124.9 | -139 | -38.6 | 0 | 0 | 0 | 119.1 | |||||
| 285 | Q | 40.7 | Very low | 40.5 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | -177.7 | 132 | 108.9 | -97.6 | 180 | 75.6 | 0 | 0 | 114.5 | |||||
| 286 | D | 40.9 | Very low | 40.5 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 68% | 0.679 | 80% | 0.799 | S | S | * | * | trans | -47.3 | 149 | 163.3 | -84.8 | -75.5 | 0 | 0 | 0 | 114.6 | ||||
| 287 | S | 43.2 | Very low | 41 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -152 | 70.8 | 153.9 | -70.9 | 0 | 0 | 0 | 0 | 110.3 | L289 | S287-L289 PolarHBondContact O-N 3.4Š| ||
| 288 | N | 44.2 | Very low | 41.4 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -69.6 | 109.7 | 154.1 | -111.1 | -65.5 | 0 | 0 | 0 | 107.7 | ||||
| 289 | L | 46.6 | Very low | 41.6 | Very low | 135 Ų | 135 | 145.6 Ų | 145.6 | 71% | 0.707 | 80% | 0.804 | S | S | * | * | trans | -115.6 | 88.7 | 171.6 | -131.5 | 78.8 | 0 | 0 | 0 | 109.7 | S287 Y291 | S287-L289 PolarHBondContact O-N 3.4Å; L289-Y291 HydrophobicContact CD1-CE2 4.49Å; L289-Y291 HydrophobicContact CD2-CD2 3.74Å; L289-Y291 HydrophobicContact CD2-CE2 3.48Å; L289-Y291 VanDerWaalsContact CD2-CE2 3.48Å; L289-Y291 HydrophobicContact CG-CD2 3.86Å; L289-Y291 HydrophobicContact CG-CE2 3.62Å; L289-Y291 PolarHBondContact O-N 3.39Å | ||
| 290 | T | 46.5 | Very low | 41.3 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | trans | -58.5 | 116.9 | 156 | -54.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 291 | Y | 44.4 | Very low | 41.8 | Very low | 197 Ų | 197 | 149.9 Ų | 149.9 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -135.3 | 120.1 | 154.4 | -83.1 | -76.4 | 0 | 0 | 0 | 110.7 | L289 | L289-Y291 HydrophobicContact CD1-CE2 4.49Å; L289-Y291 HydrophobicContact CD2-CD2 3.74Å; L289-Y291 HydrophobicContact CD2-CE2 3.48Å; L289-Y291 VanDerWaalsContact CD2-CE2 3.48Å; L289-Y291 HydrophobicContact CG-CD2 3.86Å; L289-Y291 HydrophobicContact CG-CE2 3.62Å; L289-Y291 PolarHBondContact O-N 3.39Å | ||
| 292 | Q | 41.8 | Very low | 42.4 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -82.3 | 124 | 175.3 | 174.3 | 165 | 28 | 0 | 0 | 109.5 | ||||
| 293 | V | 42.4 | Very low | 42.6 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | trans | -149.6 | 117.8 | 161.4 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 294 | L | 46.8 | Very low | 43.1 | Very low | 243 Ų | 243 | 153.1 Ų | 153.1 | 100% | 1.272 | 80% | 0.801 | S | S | * | * | trans | 69.2 | 0 | 164.3 | -65.8 | 161.8 | 0 | 0 | 0 | 118.8 |
Retrieved 294 of 294 residues in 261.8 ms
(Link to these results)