| 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 | 34.8 | Very low | 42.5 | Very low | 235 Ų | 235 | 156 Ų | 156 | 100% | 1.158 | 84% | 0.835 | S | S | * | * | 0 | 91.3 | 0 | -64.5 | -62.1 | 173.6 | 0 | 0 | 106.6 | |||||
| 2 | S | 39.6 | Very low | 42.4 | Very low | 101 Ų | 101 | 154.8 Ų | 154.8 | 71% | 0.706 | 84% | 0.836 | S | S | * | * | 89.2 | 123.8 | 95.1 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 3 | L | 41.7 | Very low | 43.1 | Very low | 161 Ų | 161 | 150 Ų | 150 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | cis | -166.4 | 152 | 11.2 | -100.6 | 163.5 | 0 | 0 | 0 | 109.6 | ||||
| 4 | L | 48.1 | Very low | 43 | Very low | 159 Ų | 159 | 150.9 Ų | 150.9 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | -64 | 149.4 | 161.8 | -77.1 | 128.1 | 0 | 0 | 0 | 113.1 | ||||
| 5 | R | 42.3 | Very low | 43 | Very low | 251 Ų | 251 | 147.1 Ų | 147.1 | 95% | 0.947 | 81% | 0.811 | S | S | * | * | trans | 157.2 | 135 | 140.3 | -93 | 168.4 | 175.8 | -102.2 | 1.4 | 107.9 | ||||
| 6 | G | 45.3 | Very low | 43 | Very low | 60 Ų | 60 | 149.8 Ų | 149.8 | 62% | 0.619 | 82% | 0.816 | S | S | * | * | cis | 120.2 | 106.5 | 20.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 7 | W | 43.3 | Very low | 43.4 | Very low | 235 Ų | 235 | 147.1 Ų | 147.1 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | 76.9 | 132.9 | 142.2 | -61.2 | 16 | 0 | 0 | 0 | 121.3 | ||||
| 8 | L | 45.4 | Very low | 43.6 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | 154.5 | 101 | 115.2 | -80.5 | 164.7 | 0 | 0 | 0 | 109.2 | |||||
| 9 | K | 38.3 | Very low | 44.1 | Very low | 196 Ų | 196 | 146.9 Ų | 146.9 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | 64.6 | 109.3 | 96.3 | -73.7 | -156.7 | 178.6 | -171.4 | 0 | 115.3 | |||||
| 10 | A | 45.5 | Very low | 44.3 | Very low | 105 Ų | 105 | 148 Ų | 148 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -145.3 | 116.3 | 137.6 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 11 | G | 42.9 | Very low | 44.5 | Very low | 69 Ų | 69 | 147 Ų | 147 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | cis | 95.4 | 68.1 | 43.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 12 | V | 41.9 | Very low | 45.2 | Very low | 141 Ų | 141 | 141 Ų | 141 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | 53.9 | 97.5 | 114.9 | -175.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 13 | S | 51.4 | Low | 45.8 | Very low | 93 Ų | 93 | 147.1 Ų | 147.1 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | 62.3 | 122 | 100.1 | -171 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 14 | L | 41.4 | Very low | 46.3 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -173.1 | 99.2 | 140.3 | -93.7 | 147.7 | 0 | 0 | 0 | 107.5 | ||||
| 15 | C | 42.9 | Very low | 46.8 | Very low | 94 Ų | 94 | 146.9 Ų | 146.9 | 64% | 0.635 | 79% | 0.787 | S | S | * | * | 65.6 | 109.1 | 105 | -64.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 16 | H | 42.8 | Very low | 47.5 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | -160.1 | 127.7 | 115.4 | -105 | 46.1 | 0 | 0 | 0 | 111.5 | |||||
| 17 | S | 50 | Low | 48.2 | Very low | 105 Ų | 105 | 148 Ų | 148 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -78.2 | 128.1 | 178.4 | 45 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 18 | T | 47.2 | Very low | 48.9 | Very low | 132 Ų | 132 | 140 Ų | 140 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -141 | 92.1 | 150.6 | 42 | 0 | 0 | 0 | 0 | 109.6 | Q20 | T18-Q20 PolarHBondContact O-N 2.9Å; T18-Q20 VanDerWaalsContact O-N 3.07Å | ||
| 19 | L | 53.2 | Low | 49.5 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | 10.5 | 88.2 | 138.6 | -63 | 165.9 | 0 | 0 | 0 | 115.5 | ||||
| 20 | Q | 48.6 | Very low | 50.5 | Low | 168 Ų | 168 | 134.7 Ų | 134.7 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -132.4 | 58.2 | 149 | -68.4 | -168.5 | -2.2 | 0 | 0 | 109.1 | T18 T22 | T18-Q20 PolarHBondContact O-N 2.9Å; T18-Q20 VanDerWaalsContact O-N 3.07Å; Q20-T22 PolarHBondContact O-N 2.83Å | ||
| 21 | T | 48.5 | Very low | 51.2 | Low | 127 Ų | 127 | 135.1 Ų | 135.1 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -68.8 | 72.7 | 144.6 | 35.3 | 0 | 0 | 0 | 0 | 106.9 | R23 | T21-R23 PolarHBondContact O-N 3.17Š| ||
| 22 | T | 49.5 | Very low | 52.3 | Low | 109 Ų | 109 | 137.3 Ų | 137.3 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | -60.1 | 98.8 | 157.2 | 44.2 | 0 | 0 | 0 | 0 | 104.5 | Q20 Q24 | Q20-T22 PolarHBondContact O-N 2.83Å; T22-Q24 VanDerWaalsContact C-N 3.28Å; T22-Q24 PolarHBondContact O-N 3.28Å | ||
| 23 | R | 51.5 | Low | 53.4 | Low | 229 Ų | 229 | 137 Ų | 137 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -47.7 | 108.5 | 159.1 | -87.7 | -178.4 | 170.2 | 178.7 | -2 | 104 | T21 I25 | T21-R23 PolarHBondContact O-N 3.17Å; R23-I25 PolarHBondContact O-N 3.46Å | ||
| 24 | Q | 52.5 | Low | 54.4 | Low | 169 Ų | 169 | 143.3 Ų | 143.3 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -60.1 | 97.9 | 163.8 | -73.2 | -171.8 | -19.9 | 0 | 0 | 104 | T22 R26 | T22-Q24 VanDerWaalsContact C-N 3.28Å; T22-Q24 PolarHBondContact O-N 3.28Å; Q24-R26 PolarHBondContact O-N 3.33Å | ||
| 25 | I | 58.2 | Low | 56.1 | Low | 146 Ų | 146 | 141.5 Ų | 141.5 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | trans | -59.9 | 94.4 | 161.8 | -62.7 | 174.8 | 0 | 0 | 0 | 102.1 | R23 T27 | R23-I25 PolarHBondContact O-N 3.46Å; I25-T27 HydrophobicContact CG2-CG2 4.45Å; I25-T27 PolarHBondContact O-N 3.34Å | ||
| 26 | R | 57.1 | Low | 58 | Low | 219 Ų | 219 | 143.9 Ų | 143.9 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -60.9 | 96.9 | 161.7 | -70.1 | -174.8 | 179.4 | -169.7 | 0 | 102.7 | Q24 G28 | Q24-R26 PolarHBondContact O-N 3.33Å; R26-G28 PolarHBondContact O-N 2.96Å | ||
| 27 | T | 60.5 | Low | 60.2 | Low | 117 Ų | 117 | 138.2 Ų | 138.2 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | trans | -57.6 | 90.8 | 153.1 | 42.9 | 0 | 0 | 0 | 0 | 102.9 | I25 V29 | I25-T27 HydrophobicContact CG2-CG2 4.45Å; I25-T27 PolarHBondContact O-N 3.34Å; T27-V29 PolarHBondContact O-N 2.98Å | ||
| 28 | G | 56.6 | Low | 62.1 | Low | 65 Ų | 65 | 140 Ų | 140 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | trans | -57.4 | 97.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 104.5 | R26 C30 | R26-G28 PolarHBondContact O-N 2.96Å; G28-C30 VanDerWaalsContact C-N 3.31Å; G28-C30 PolarHBondContact O-N 3.41Å | ||
| 29 | V | 58.4 | Low | 64.3 | Low | 119 Ų | 119 | 138.7 Ų | 138.7 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | trans | -52.7 | 111.1 | 172.7 | -166.6 | 0 | 0 | 0 | 0 | 102.1 | T27 C31 | T27-V29 PolarHBondContact O-N 2.98Å; V29-C31 PolarHBondContact O-N 2.93Å | ||
| 30 | C | 59.4 | Low | 66.3 | Low | 111 Ų | 111 | 140.1 Ų | 140.1 | 75% | 0.75 | 75% | 0.75 | S | S | * | * | trans | -43.8 | 111.3 | 173.1 | 32.2 | 0 | 0 | 0 | 0 | 105 | G28 P32 | G28-C30 VanDerWaalsContact C-N 3.31Å; G28-C30 PolarHBondContact O-N 3.41Å; C30-P32 VanDerWaalsContact O-CD 3.31Å; C30-P32 WeakPolarHBondContact O-CD 3.43Å | ||
| 31 | C | 61.1 | Low | 68.6 | Low | 114 Ų | 114 | 139.1 Ų | 139.1 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -47.6 | 117.7 | -177.1 | -66.4 | 0 | 0 | 0 | 0 | 105.7 | V29 V33 | V29-C31 PolarHBondContact O-N 2.93Å; C31-V33 PolarHBondContact O-N 3.46Å | ||
| 32 | P | 64.5 | Low | 70.8 | Confident | 115 Ų | 115 | 141.4 Ų | 141.4 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | trans | -58.5 | 115.3 | 177.6 | 21.5 | -29.8 | 0 | 0 | 0 | 104.7 | C30 R34 | C30-P32 VanDerWaalsContact O-CD 3.31Å; C30-P32 WeakPolarHBondContact O-CD 3.43Å; P32-R34 PolarHBondContact O-N 3.49Å | ||
| 33 | V | 66.4 | Low | 73.1 | Confident | 133 Ų | 133 | 145.3 Ų | 145.3 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | -51.5 | 115 | 170.6 | 173 | 0 | 0 | 0 | 0 | 104.2 | C31 M35 | C31-V33 PolarHBondContact O-N 3.46Å; V33-M35 HydrophobicContact CG1-CB 4.49Å; V33-M35 PolarHBondContact O-N 3.41Å | ||
| 34 | R | 72.1 | Confident | 75.3 | Confident | 227 Ų | 227 | 137.9 Ų | 137.9 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | trans | -73 | 74.6 | -175.1 | -168.1 | 179.9 | -178.6 | -179.6 | 2.7 | 108.3 | P32 | P32-R34 PolarHBondContact O-N 3.49Š| ||
| 35 | M | 77.6 | Confident | 77.4 | Confident | 123 Ų | 123 | 134.4 Ų | 134.4 | 61% | 0.606 | 72% | 0.724 | S | S | * | * | trans | -97.1 | 97.5 | 174.7 | -173.5 | 171 | 69 | 0 | 0 | 106.5 | V33 A37 I38 | V33-M35 HydrophobicContact CG1-CB 4.49Å; V33-M35 PolarHBondContact O-N 3.41Å; M35-A37 WeakPolarHBondContact CG-O 3.39Å; M35-A37 PolarHBondContact O-N 3.32Å; M35-I38 HydrophobicContact CE-CG1 4.2Å | ||
| 36 | N | 82 | Confident | 79.3 | Confident | 144 Ų | 144 | 137.2 Ų | 137.2 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -65.4 | -28.6 | -176.2 | -60.8 | -32.9 | 0 | 0 | 0 | 112.1 | ||
| 37 | A | 89.6 | Confident | 81.2 | Confident | 72 Ų | 72 | 136.7 Ų | 136.7 | 60% | 0.595 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -160.3 | 158.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | M35 | M35-A37 WeakPolarHBondContact CG-O 3.39Å; M35-A37 PolarHBondContact O-N 3.32Å |
| 38 | I | 90.3 | Very high | 83 | Confident | 142 Ų | 142 | 133.6 Ų | 133.6 | 73% | 0.728 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 126.2 | 167.6 | -61.4 | 173.1 | 0 | 0 | 0 | 107.2 | M35 | M35-I38 HydrophobicContact CE-CG1 4.2Š|
| 39 | P | 92.9 | Very high | 85 | Confident | 104 Ų | 104 | 138.1 Ų | 138.1 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 149.6 | 176.8 | 28.3 | -34.9 | 0 | 0 | 0 | 110 | ||
| 40 | E | 94.9 | Very high | 86.8 | Confident | 189 Ų | 189 | 140.8 Ų | 140.8 | 88% | 0.883 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 147.2 | 177.4 | -65 | -176.5 | 177.1 | 0 | 0 | 111.9 | K42 | E40-K42 PolarHBondContact O-N 2.88Å; E40-K42 VanDerWaalsContact O-N 3.08Å |
| 41 | L | 96.1 | Very high | 88.7 | Confident | 148 Ų | 148 | 141.8 Ų | 141.8 | 78% | 0.775 | 70% | 0.697 | S | S | * | * | trans | -61.8 | 115.2 | 177.7 | 177.6 | 66.5 | 0 | 0 | 0 | 110.1 | K43 | L41-K43 PolarHBondContact O-N 2.73Š| ||
| 42 | K | 96.7 | Very high | 90.4 | Very high | 175 Ų | 175 | 139 Ų | 139 | 76% | 0.761 | 68% | 0.68 | S | S | * | * | trans | -75.1 | 98.2 | 172.7 | -168.9 | -179.7 | -179.3 | 171.3 | 0 | 110.3 | E40 V44 | E40-K42 PolarHBondContact O-N 2.88Å; E40-K42 VanDerWaalsContact O-N 3.08Å; K42-V44 HydrophobicContact CD-CG2 4.06Å; K42-V44 HydrophobicContact CG-CG2 3.8Å; K42-V44 PolarHBondContact O-N 3.49Å | ||
| 43 | K | 96.8 | Very high | 92 | Very high | 191 Ų | 191 | 138.6 Ų | 138.6 | 83% | 0.83 | 67% | 0.669 | S | S | * | * | trans | -68.7 | 125.7 | 167.8 | -64.6 | -179.4 | -178.2 | 177.1 | 0 | 109 | L41 | L41-K43 PolarHBondContact O-N 2.73Š| ||
| 44 | V | 97.2 | Very high | 93.5 | Very high | 73 Ų | 73 | 140.2 Ų | 140.2 | 44% | 0.442 | 67% | 0.665 | S | S | . | * | trans | -129.6 | 118.3 | -179.1 | -177.3 | 0 | 0 | 0 | 0 | 109 | K42 | K42-V44 HydrophobicContact CD-CG2 4.06Å; K42-V44 HydrophobicContact CG-CG2 3.8Å; K42-V44 PolarHBondContact O-N 3.49Å | ||
| 45 | D | 97.6 | Very high | 94.7 | Very high | 96 Ų | 96 | 130.8 Ų | 130.8 | 51% | 0.513 | 64% | 0.639 | S | S | . | * | trans | -70.2 | 128.2 | 172 | 178.7 | 20.9 | 0 | 0 | 0 | 111 | W47 T48 R51 | D45-W47 PolarHBondContact OD1-N 3.02Å; D45-T48 HydrophobicContact CB-CG2 3.92Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.36Å; D45-T48 PolarHBondContact OD2-N 3.46Å; D45-R51 PolarHBondContact O-NH1 3.34Å | ||
| 46 | R | 97.9 | Very high | 95.7 | Very high | 205 Ų | 205 | 128.7 Ų | 128.7 | 77% | 0.774 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -85.1 | -17.4 | 179.1 | -66.5 | -172 | 177.6 | -170.5 | -0.1 | 112.6 | ||
| 47 | W | 97.7 | Very high | 96.4 | Very high | 207 Ų | 207 | 129.2 Ų | 129.2 | 78% | 0.784 | 63% | 0.625 | S | S | * | * | trans | -111.4 | 32.4 | -174.2 | -66.8 | 110.2 | 0 | 0 | 0 | 113.6 | D45 | D45-W47 PolarHBondContact OD1-N 3.02Š| ||
| 48 | T | 97.8 | Very high | 96.8 | Very high | 53 Ų | 53 | 130.3 Ų | 130.3 | 33% | 0.325 | 62% | 0.621 | S | S | . | * | trans | -65.1 | 148.8 | 169.3 | 59.9 | 0 | 0 | 0 | 0 | 110.6 | D45 K50 R51 S52 | D45-T48 HydrophobicContact CB-CG2 3.92Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.36Å; D45-T48 PolarHBondContact OD2-N 3.46Å; T48-K50 PolarHBondContact O-N 3.21Å; T48-K50 VanDerWaalsContact O-N 3.16Å; T48-R51 WeakPolarHBondContact O-CA 3.39Å; T48-R51 PolarHBondContact O-N 2.89Å; T48-R51 WeakPolarHBondContact OG1-CG 3.42Å; T48-S52 PolarHBondContact O-N 2.91Å; T48-S52 PolarHBondContact O-OG 3.4Å | ||
| 49 | E | 98 | Very high | 97.1 | Very high | 160 Ų | 160 | 128.6 Ų | 128.6 | 75% | 0.748 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -50.9 | -43.4 | -178.6 | -174.7 | -177.3 | -177.7 | 0 | 0 | 112.8 | R51 S52 M53 | E49-R51 VanDerWaalsContact C-N 3.28Å; E49-R51 PolarHBondContact O-N 3.27Å; E49-S52 WeakPolarHBondContact CA-OG 3.47Å; E49-S52 PolarHBondContact O-N 3.33Å; E49-S52 PolarHBondContact O-OG 3.41Å; E49-M53 HydrophobicContact CG-CG 4.37Å; E49-M53 VanDerWaalsContact O-CB 3.3Å; E49-M53 WeakPolarHBondContact O-CB 3.19Å; E49-M53 WeakPolarHBondContact O-CG 3.4Å; E49-M53 PolarHBondContact O-N 2.92Å |
| 50 | K | 97.4 | Very high | 97.3 | Very high | 175 Ų | 175 | 126.4 Ų | 126.4 | 76% | 0.761 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.3 | -35.3 | 177.1 | -178.8 | 175.1 | 178.8 | 176.8 | 0 | 112.9 | T48 F54 | T48-K50 PolarHBondContact O-N 3.21Å; T48-K50 VanDerWaalsContact O-N 3.16Å; K50-F54 WeakPolarHBondContact O-CB 3.45Å; K50-F54 PolarHBondContact O-N 2.86Å |
| 51 | R | 97.7 | Very high | 97.3 | Very high | 131 Ų | 131 | 117.6 Ų | 117.6 | 49% | 0.494 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -80.9 | -41.3 | -179.4 | -72.7 | 179.6 | 175.1 | -173.9 | -7.2 | 111.5 | D45 T48 E49 M53 | D45-R51 PolarHBondContact O-NH1 3.34Å; T48-R51 WeakPolarHBondContact O-CA 3.39Å; T48-R51 PolarHBondContact O-N 2.89Å; T48-R51 WeakPolarHBondContact OG1-CG 3.42Å; E49-R51 VanDerWaalsContact C-N 3.28Å; E49-R51 PolarHBondContact O-N 3.27Å; R51-M53 VanDerWaalsContact C-N 3.34Å |
| 52 | S | 97.8 | Very high | 97.4 | Very high | 57 Ų | 57 | 116.5 Ų | 116.5 | 40% | 0.399 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66 | -38.3 | 178.3 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | T48 E49 | T48-S52 PolarHBondContact O-N 2.91Å; T48-S52 PolarHBondContact O-OG 3.4Å; E49-S52 WeakPolarHBondContact CA-OG 3.47Å; E49-S52 PolarHBondContact O-N 3.33Å; E49-S52 PolarHBondContact O-OG 3.41Å |
| 53 | M | 98.1 | Very high | 97.4 | Very high | 106 Ų | 106 | 115.2 Ų | 115.2 | 52% | 0.522 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.1 | 5.5 | -177.9 | -58.6 | -57.2 | -68.9 | 0 | 0 | 114.2 | E49 R51 G55 V56 | E49-M53 HydrophobicContact CG-CG 4.37Å; E49-M53 VanDerWaalsContact O-CB 3.3Å; E49-M53 WeakPolarHBondContact O-CB 3.19Å; E49-M53 WeakPolarHBondContact O-CG 3.4Å; E49-M53 PolarHBondContact O-N 2.92Å; R51-M53 VanDerWaalsContact C-N 3.34Å; M53-G55 PolarHBondContact O-N 3.25Å; M53-V56 HydrophobicContact CB-CG2 4.49Å; M53-V56 HydrophobicContact CE-CG2 4.13Å; M53-V56 VanDerWaalsContact O-CG2 3.32Å; M53-V56 WeakPolarHBondContact O-CG2 3.4Å |
| 54 | F | 97.9 | Very high | 97.3 | Very high | 166 Ų | 166 | 107.1 Ų | 107.1 | 73% | 0.728 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 126.7 | -178.1 | -175 | -99.6 | 0 | 0 | 0 | 111.5 | K50 | K50-F54 WeakPolarHBondContact O-CB 3.45Å; K50-F54 PolarHBondContact O-N 2.86Å |
| 55 | G | 96.8 | Very high | 97.3 | Very high | 30 Ų | 30 | 109.3 Ų | 109.3 | 31% | 0.309 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 2.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | M53 Y57 D58 | M53-G55 PolarHBondContact O-N 3.25Å; G55-Y57 PolarHBondContact O-N 3.38Å; G55-Y57 VanDerWaalsContact O-N 3.15Å; G55-D58 WeakPolarHBondContact CA-OD2 3.27Å; G55-D58 PolarHBondContact O-N 3.11Å |
| 56 | V | 97.8 | Very high | 97.3 | Very high | 78 Ų | 78 | 112.3 Ų | 112.3 | 47% | 0.473 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -37.2 | -176 | 171.4 | 0 | 0 | 0 | 0 | 113.1 | M53 | M53-V56 HydrophobicContact CB-CG2 4.49Å; M53-V56 HydrophobicContact CE-CG2 4.13Å; M53-V56 VanDerWaalsContact O-CG2 3.32Å; M53-V56 WeakPolarHBondContact O-CG2 3.4Å |
| 57 | Y | 97.3 | Very high | 97.2 | Very high | 155 Ų | 155 | 110.7 Ų | 110.7 | 61% | 0.608 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 17.7 | -175.3 | -60.7 | -64.3 | 0 | 0 | 0 | 114.5 | G55 N59 I60 L73 | G55-Y57 PolarHBondContact O-N 3.38Å; G55-Y57 VanDerWaalsContact O-N 3.15Å; Y57-N59 VanDerWaalsContact C-N 3.29Å; Y57-N59 PolarHBondContact O-N 3.09Å; Y57-I60 WeakPolarHBondContact O-CB 3.44Å; Y57-I60 WeakPolarHBondContact O-CG2 3.36Å; Y57-I60 PolarHBondContact O-N 3.03Å; Y57-L73 VanDerWaalsContact O-CD1 3.31Å; Y57-L73 WeakPolarHBondContact O-CD1 3.34Å |
| 58 | D | 97.3 | Very high | 97.1 | Very high | 96 Ų | 96 | 102.5 Ų | 102.5 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -29.6 | -175.6 | -73.7 | -4.1 | 0 | 0 | 0 | 113 | G55 P70 | G55-D58 WeakPolarHBondContact CA-OD2 3.27Å; G55-D58 PolarHBondContact O-N 3.11Å; D58-P70 WeakPolarHBondContact O-CG 3.34Å |
| 59 | N | 97 | Very high | 97 | Very high | 105 Ų | 105 | 105 Ų | 105 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 19.4 | -179.2 | -64.5 | -40.4 | 0 | 0 | 0 | 113.6 | Y57 G61 I62 L63 | Y57-N59 VanDerWaalsContact C-N 3.29Å; Y57-N59 PolarHBondContact O-N 3.09Å; N59-G61 PolarHBondContact O-N 3.08Å; N59-I62 PolarHBondContact O-N 2.84Å; N59-L63 HydrophobicContact CB-CD1 4.23Å; N59-L63 PolarHBondContact O-N 3.29Å; N59-L63 VanDerWaalsContact O-N 3.15Å |
| 60 | I | 97 | Very high | 96.9 | Very high | 58 Ų | 58 | 99.4 Ų | 99.4 | 30% | 0.297 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.3 | -27.5 | -176.9 | -166.4 | 162.5 | 0 | 0 | 0 | 113.5 | Y57 G64 L73 | Y57-I60 WeakPolarHBondContact O-CB 3.44Å; Y57-I60 WeakPolarHBondContact O-CG2 3.36Å; Y57-I60 PolarHBondContact O-N 3.03Å; I60-G64 WeakPolarHBondContact O-CA 3.4Å; I60-G64 PolarHBondContact O-N 2.9Å; I60-L73 HydrophobicContact CG2-CD1 3.85Å |
| 61 | G | 96.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 95.8 Ų | 95.8 | 5% | 0.052 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -65.8 | -55.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N59 F66 A68 | N59-G61 PolarHBondContact O-N 3.08Å; G61-F66 VanDerWaalsContact O-CA 3.29Å; G61-F66 WeakPolarHBondContact O-CA 3.46Å; G61-F66 WeakPolarHBondContact O-CD1 3.49Å; G61-F66 PolarHBondContact O-N 3.29Å; G61-A68 WeakPolarHBondContact CA-O 3.29Å |
| 62 | I | 97.4 | Very high | 96.7 | Very high | 125 Ų | 125 | 93.6 Ų | 93.6 | 64% | 0.641 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -70.4 | -36.5 | -174.6 | -57.1 | 171.8 | 0 | 0 | 0 | 111.1 | N59 F66 | N59-I62 PolarHBondContact O-N 2.84Å; I62-F66 HydrophobicContact CG1-CE1 4.22Å; I62-F66 HydrophobicContact CG1-CZ 4.35Å |
| 63 | L | 97.1 | Very high | 96.6 | Very high | 148 Ų | 148 | 94.8 Ų | 94.8 | 78% | 0.775 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -91.4 | -8.5 | -177.8 | -59.6 | 178.1 | 0 | 0 | 0 | 113.9 | N59 | N59-L63 HydrophobicContact CB-CD1 4.23Å; N59-L63 PolarHBondContact O-N 3.29Å; N59-L63 VanDerWaalsContact O-N 3.15Å |
| 64 | G | 95.1 | Very high | 96.5 | Very high | 21 Ų | 21 | 94.1 Ų | 94.1 | 22% | 0.216 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | 36.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I60 F66 K67 | I60-G64 WeakPolarHBondContact O-CA 3.4Å; I60-G64 PolarHBondContact O-N 2.9Å; G64-F66 PolarHBondContact O-N 3.47Å; G64-F66 VanDerWaalsContact O-N 3.08Å; G64-K67 WeakPolarHBondContact O-CB 3.48Å; G64-K67 WeakPolarHBondContact O-CG 3.5Å; G64-K67 PolarHBondContact O-N 3.09Å; G64-K67 VanDerWaalsContact O-N 3.09Å |
| 65 | D | 97.1 | Very high | 96.4 | Very high | 119 Ų | 119 | 93.1 Ų | 93.1 | 64% | 0.636 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 27.9 | 178 | -44.6 | -48.7 | 0 | 0 | 0 | 114.1 | K67 | D65-K67 HydrophobicContact CB-CG 4.38Å; D65-K67 PolarHBondContact O-N 2.98Å; D65-K67 VanDerWaalsContact O-N 3.11Å; D65-K67 IonicContact OD2-NZ 2.81Å; D65-K67 PolarHBondContact OD2-NZ 3.31Å |
| 66 | F | 95.8 | Very high | 96.4 | Very high | 159 Ų | 159 | 93.7 Ų | 93.7 | 70% | 0.697 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 25.4 | -174.9 | -59 | -82.8 | 0 | 0 | 0 | 115.1 | G61 I62 G64 A68 | G61-F66 VanDerWaalsContact O-CA 3.29Å; G61-F66 WeakPolarHBondContact O-CA 3.46Å; G61-F66 WeakPolarHBondContact O-CD1 3.49Å; G61-F66 PolarHBondContact O-N 3.29Å; I62-F66 HydrophobicContact CG1-CE1 4.22Å; I62-F66 HydrophobicContact CG1-CZ 4.35Å; G64-F66 PolarHBondContact O-N 3.47Å; G64-F66 VanDerWaalsContact O-N 3.08Å; F66-A68 PolarHBondContact O-N 3.23Å |
| 67 | K | 95.9 | Very high | 96.3 | Very high | 170 Ų | 170 | 93.1 Ų | 93.1 | 74% | 0.739 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -63.1 | -27.8 | 177.2 | -70.7 | 168.3 | -178.8 | 145.8 | 0 | 113.5 | G64 D65 | G64-K67 WeakPolarHBondContact O-CB 3.48Å; G64-K67 WeakPolarHBondContact O-CG 3.5Å; G64-K67 PolarHBondContact O-N 3.09Å; G64-K67 VanDerWaalsContact O-N 3.09Å; D65-K67 HydrophobicContact CB-CG 4.38Å; D65-K67 PolarHBondContact O-N 2.98Å; D65-K67 VanDerWaalsContact O-N 3.11Å; D65-K67 IonicContact OD2-NZ 2.81Å; D65-K67 PolarHBondContact OD2-NZ 3.31Å |
| 68 | A | 95.7 | Very high | 96.2 | Very high | 36 Ų | 36 | 90.7 Ų | 90.7 | 30% | 0.298 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -140.2 | 145.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G61 F66 | G61-A68 WeakPolarHBondContact CA-O 3.29Å; F66-A68 PolarHBondContact O-N 3.23Å |
| 69 | H | 96.4 | Very high | 96.2 | Very high | 104 Ų | 104 | 88.9 Ų | 88.9 | 48% | 0.481 | 48% | 0.479 | S | S | . | . | trans | -97.6 | 139.3 | 174.6 | -170.7 | -78.5 | 0 | 0 | 0 | 110.2 | K71 D72 | H69-K71 HydrophobicContact CB-CD 4.35Å; H69-K71 HydrophobicContact CB-CG 4.15Å; H69-K71 VanDerWaalsContact ND1-CB 3.34Å; H69-K71 WeakPolarHBondContact ND1-CB 3.2Å; H69-K71 WeakPolarHBondContact ND1-CD 3.37Å; H69-K71 WeakPolarHBondContact ND1-CG 3.23Å; H69-K71 PolarHBondContact ND1-N 2.71Å; H69-K71 VanDerWaalsContact ND1-N 3.17Å; H69-K71 PolarHBondContact O-N 3.42Å; H69-D72 WeakPolarHBondContact O-CB 3.38Å; H69-D72 PolarHBondContact O-N 3.06Å | ||
| 70 | P | 96.7 | Very high | 96.1 | Very high | 44 Ų | 44 | 86.2 Ų | 86.2 | 29% | 0.286 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -54.7 | -29.9 | -177.6 | -29.2 | 36 | 0 | 0 | 0 | 114.7 | D58 D72 L73 | D58-P70 WeakPolarHBondContact O-CG 3.34Å; P70-D72 PolarHBondContact O-N 3.07Å; P70-D72 VanDerWaalsContact O-N 3.11Å; P70-L73 WeakPolarHBondContact O-CB 3.33Å; P70-L73 PolarHBondContact O-N 3.17Å |
| 71 | K | 95.7 | Very high | 96.1 | Very high | 98 Ų | 98 | 87.1 Ų | 87.1 | 43% | 0.426 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -52.9 | -29.6 | 172.4 | 80.8 | -168.5 | 174.8 | -173.7 | 0 | 113.4 | H69 K81 | H69-K71 HydrophobicContact CB-CD 4.35Å; H69-K71 HydrophobicContact CB-CG 4.15Å; H69-K71 VanDerWaalsContact ND1-CB 3.34Å; H69-K71 WeakPolarHBondContact ND1-CB 3.2Å; H69-K71 WeakPolarHBondContact ND1-CD 3.37Å; H69-K71 WeakPolarHBondContact ND1-CG 3.23Å; H69-K71 PolarHBondContact ND1-N 2.71Å; H69-K71 VanDerWaalsContact ND1-N 3.17Å; H69-K71 PolarHBondContact O-N 3.42Å; K71-K81 WeakPolarHBondContact O-CE 3.34Å; K71-K81 WeakPolarHBondContact O-CG 3.48Å |
| 72 | D | 94.9 | Very high | 96 | Very high | 85 Ų | 85 | 89.6 Ų | 89.6 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -81.4 | -21.2 | -176.4 | -57.6 | -39.5 | 0 | 0 | 0 | 111.7 | H69 P70 I74 K81 | H69-D72 WeakPolarHBondContact O-CB 3.38Å; H69-D72 PolarHBondContact O-N 3.06Å; P70-D72 PolarHBondContact O-N 3.07Å; P70-D72 VanDerWaalsContact O-N 3.11Å; D72-I74 VanDerWaalsContact C-N 3.34Å; D72-K81 WeakPolarHBondContact O-CE 3.15Å; D72-K81 PolarHBondContact O-NZ 2.94Å |
| 73 | L | 95.4 | Very high | 96 | Very high | 83 Ų | 83 | 86.7 Ų | 86.7 | 44% | 0.435 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -76.3 | -21.6 | 173.4 | -58.5 | 178.5 | 0 | 0 | 0 | 112.8 | Y57 I60 P70 V75 | Y57-L73 VanDerWaalsContact O-CD1 3.31Å; Y57-L73 WeakPolarHBondContact O-CD1 3.34Å; I60-L73 HydrophobicContact CG2-CD1 3.85Å; P70-L73 WeakPolarHBondContact O-CB 3.33Å; P70-L73 PolarHBondContact O-N 3.17Å; L73-V75 PolarHBondContact O-N 3.24Å |
| 74 | I | 95.9 | Very high | 96 | Very high | 91 Ų | 91 | 91.3 Ų | 91.3 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | trans | -66.9 | 125 | -178.5 | -58.4 | 173.7 | 0 | 0 | 0 | 109.9 | D72 K81 | D72-I74 VanDerWaalsContact C-N 3.34Å; I74-K81 HydrophobicContact CB-CG 4.46Å; I74-K81 WeakPolarHBondContact O-CD 3.35Å; I74-K81 WeakPolarHBondContact O-CE 3.37Å; I74-K81 PolarHBondContact O-NZ 3.43Å | ||
| 75 | V | 96.3 | Very high | 96.1 | Very high | 146 Ų | 146 | 91.4 Ų | 91.4 | 89% | 0.885 | 48% | 0.484 | S | S | * | . | trans | -91.8 | 125 | 171.6 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | L73 | L73-V75 PolarHBondContact O-N 3.24Š| ||
| 76 | G | 95.3 | Very high | 96.1 | Very high | 42 Ų | 42 | 89 Ų | 89 | 43% | 0.433 | 47% | 0.471 | S | S | . | . | S | Bend | trans | 169.2 | -176.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V78 | G76-V78 PolarHBondContact O-N 2.93Š|
| 77 | P | 96.8 | Very high | 96.2 | Very high | 66 Ų | 66 | 84.6 Ų | 84.6 | 43% | 0.429 | 45% | 0.453 | S | S | . | . | trans | -60.9 | 133.8 | 179.6 | -21.5 | 32.3 | 0 | 0 | 0 | 111.9 | W79 V80 K81 | P77-W79 HydrophobicContact CB-CD2 3.85Å; P77-W79 VanDerWaalsContact CB-CE2 3.47Å; P77-W79 HydrophobicContact CB-CE3 4.22Å; P77-W79 HydrophobicContact CB-CG 4.43Å; P77-W79 HydrophobicContact CB-CH2 4.01Å; P77-W79 HydrophobicContact CB-CZ2 3.58Å; P77-W79 HydrophobicContact CB-CZ3 4.3Å; P77-W79 HydrophobicContact CG-CZ2 4.24Å; P77-W79 PolarHBondContact O-N 2.85Å; P77-W79 VanDerWaalsContact O-N 3.1Å; P77-V80 HydrophobicContact CB-CG2 4.34Å; P77-V80 PolarHBondContact O-N 3.35Å; P77-K81 PolarHBondContact O-N 2.85Å | ||
| 78 | V | 95.2 | Very high | 96.4 | Very high | 103 Ų | 103 | 77.8 Ų | 77.8 | 62% | 0.624 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -31.6 | -175.9 | -177 | 0 | 0 | 0 | 0 | 112.3 | G76 V80 M97 | G76-V78 PolarHBondContact O-N 2.93Å; V78-V80 VanDerWaalsContact C-N 3.27Å; V78-V80 PolarHBondContact O-N 2.96Å; V78-M97 HydrophobicContact CG1-CE 3.82Å |
| 79 | W | 96.2 | Very high | 96.5 | Very high | 58 Ų | 58 | 80.8 Ų | 80.8 | 22% | 0.22 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -9 | 177.9 | 59.3 | 84.1 | 0 | 0 | 0 | 114.6 | P77 R93 K94 M97 V98 | P77-W79 HydrophobicContact CB-CD2 3.85Å; P77-W79 VanDerWaalsContact CB-CE2 3.47Å; P77-W79 HydrophobicContact CB-CE3 4.22Å; P77-W79 HydrophobicContact CB-CG 4.43Å; P77-W79 HydrophobicContact CB-CH2 4.01Å; P77-W79 HydrophobicContact CB-CZ2 3.58Å; P77-W79 HydrophobicContact CB-CZ3 4.3Å; P77-W79 HydrophobicContact CG-CZ2 4.24Å; P77-W79 PolarHBondContact O-N 2.85Å; P77-W79 VanDerWaalsContact O-N 3.1Å; W79-R93 HydrophobicContact CB-CG 4.4Å; W79-R93 WeakPolarHBondContact O-CD 3.44Å; W79-R93 PolarHBondContact O-NE 2.92Å; W79-K94 HydrophobicContact CB-CB 4.47Å; W79-K94 HydrophobicContact CD2-CB 4.32Å; W79-K94 HydrophobicContact CD2-CD 4.42Å; W79-K94 HydrophobicContact CD2-CG 3.88Å; W79-K94 HydrophobicContact CE3-CG 4.44Å; W79-K94 HydrophobicContact CG-CB 3.96Å; W79-K94 HydrophobicContact CG-CG 4.06Å; W79-K94 HydrophobicContact CZ2-CD 3.96Å; W79-K94 HydrophobicContact CZ2-CG 4.25Å; W79-M97 HydrophobicContact CB-CB 4.41Å; W79-M97 HydrophobicContact CB-SD 3.77Å; W79-V98 HydrophobicContact CE3-CB 3.99Å; W79-V98 HydrophobicContact CE3-CG1 4.49Å; W79-V98 HydrophobicContact CE3-CG2 3.39Å; W79-V98 HydrophobicContact CZ3-CB 3.95Å; W79-V98 HydrophobicContact CZ3-CG1 3.94Å; W79-V98 HydrophobicContact CZ3-CG2 3.59Å |
| 80 | V | 96.7 | Very high | 96.6 | Very high | 49 Ų | 49 | 81.5 Ų | 81.5 | 30% | 0.297 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -19.4 | 178.1 | -162.5 | 0 | 0 | 0 | 0 | 112.5 | P77 V78 G82 F83 | P77-V80 HydrophobicContact CB-CG2 4.34Å; P77-V80 PolarHBondContact O-N 3.35Å; V78-V80 VanDerWaalsContact C-N 3.27Å; V78-V80 PolarHBondContact O-N 2.96Å; V80-G82 PolarHBondContact O-N 2.96Å; V80-G82 VanDerWaalsContact O-N 3.16Å; V80-F83 PolarHBondContact O-N 3.43Å |
| 81 | K | 96.1 | Very high | 96.7 | Very high | 78 Ų | 78 | 80.9 Ų | 80.9 | 34% | 0.339 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 121 | 178.6 | -172.6 | 170.1 | 178 | 163.1 | 0 | 110.9 | K71 D72 I74 P77 F83 | K71-K81 WeakPolarHBondContact O-CE 3.34Å; K71-K81 WeakPolarHBondContact O-CG 3.48Å; D72-K81 WeakPolarHBondContact O-CE 3.15Å; D72-K81 PolarHBondContact O-NZ 2.94Å; I74-K81 HydrophobicContact CB-CG 4.46Å; I74-K81 WeakPolarHBondContact O-CD 3.35Å; I74-K81 WeakPolarHBondContact O-CE 3.37Å; I74-K81 PolarHBondContact O-NZ 3.43Å; P77-K81 PolarHBondContact O-N 2.85Å; K81-F83 PolarHBondContact O-N 3.32Å |
| 82 | G | 94.8 | Very high | 96.8 | Very high | 57 Ų | 57 | 79 Ų | 79 | 59% | 0.588 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 17.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | V80 | V80-G82 PolarHBondContact O-N 2.96Å; V80-G82 VanDerWaalsContact O-N 3.16Å |
| 83 | F | 97 | Very high | 96.9 | Very high | 63 Ų | 63 | 79.1 Ų | 79.1 | 28% | 0.276 | 42% | 0.416 | S | S | . | . | trans | -125.1 | 128.7 | -177.3 | 177.9 | -101.1 | 0 | 0 | 0 | 111.4 | V80 K81 Q89 R90 | V80-F83 PolarHBondContact O-N 3.43Å; K81-F83 PolarHBondContact O-N 3.32Å; F83-Q89 HydrophobicContact CZ-CB 4.21Å; F83-R90 HydrophobicContact CD1-CG 4.4Å; F83-R90 HydrophobicContact CE1-CG 4.01Å | ||
| 84 | R | 96.9 | Very high | 97.1 | Very high | 246 Ų | 246 | 78 Ų | 78 | 93% | 0.928 | 41% | 0.407 | S | S | * | . | trans | -117.7 | 126.4 | 171.9 | -173.1 | 178.6 | 178.3 | -165.4 | -0.7 | 109.2 | ||||
| 85 | G | 97.2 | Very high | 97.2 | Very high | 22 Ų | 22 | 77.6 Ų | 77.6 | 23% | 0.227 | 40% | 0.402 | C | S | . | . | trans | -164.4 | 165.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 86 | N | 97.6 | Very high | 97.2 | Very high | 69 Ų | 69 | 80.5 Ų | 80.5 | 37% | 0.369 | 40% | 0.397 | S | S | . | . | trans | -68.7 | 174.8 | 175.8 | 70.4 | 25 | 0 | 0 | 0 | 111.4 | L88 Q89 R90 | N86-L88 VanDerWaalsContact C-N 3.35Å; N86-L88 PolarHBondContact O-N 3.49Å; N86-L88 PolarHBondContact OD1-N 3.4Å; N86-Q89 PolarHBondContact O-N 3.25Å; N86-Q89 WeakPolarHBondContact OD1-CB 3.37Å; N86-Q89 VanDerWaalsContact OD1-CG 3.27Å; N86-Q89 WeakPolarHBondContact OD1-CG 3.3Å; N86-Q89 PolarHBondContact OD1-N 2.95Å; N86-R90 WeakPolarHBondContact O-CG 3.5Å; N86-R90 PolarHBondContact O-N 2.9Å | ||
| 87 | E | 98.3 | Very high | 97.4 | Very high | 67 Ų | 67 | 81.8 Ų | 81.8 | 31% | 0.313 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.6 | -45.9 | -177.8 | -166.9 | -172.1 | 163.3 | 0 | 0 | 112.5 | Q89 R90 L91 R113 L117 | E87-Q89 PolarHBondContact O-N 3.45Å; E87-R90 PolarHBondContact O-N 3.5Å; E87-L91 HydrophobicContact CG-CD1 4.05Å; E87-L91 HydrophobicContact CG-CG 4.37Å; E87-L91 WeakPolarHBondContact O-CG 3.32Å; E87-L91 PolarHBondContact O-N 3.25Å; E87-R113 IonicContact OE1-CZ 2.76Å; E87-R113 IonicContact OE1-NE 2.7Å; E87-R113 PolarHBondContact OE1-NE 2.96Å; E87-R113 IonicContact OE1-NH2 2.71Å; E87-R113 PolarHBondContact OE1-NH2 2.9Å; E87-R113 VanDerWaalsContact OE1-NH2 3.14Å; E87-R113 IonicContact OE2-CZ 3.34Å; E87-R113 IonicContact OE2-NE 2.72Å; E87-R113 IonicContact OE2-NH2 3.96Å; E87-R113 PolarHBondContact OE2-NH2 3.07Å; E87-L117 HydrophobicContact CB-CD1 4.01Å; E87-L117 HydrophobicContact CG-CD1 3.77Å |
| 88 | L | 98.4 | Very high | 97.4 | Very high | 26 Ų | 26 | 80.5 Ų | 80.5 | 14% | 0.136 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 179.9 | 176.9 | 61.3 | 0 | 0 | 0 | 111.6 | N86 L91 T92 I114 L117 F121 | N86-L88 VanDerWaalsContact C-N 3.35Å; N86-L88 PolarHBondContact O-N 3.49Å; N86-L88 PolarHBondContact OD1-N 3.4Å; L88-L91 PolarHBondContact O-N 2.9Å; L88-T92 WeakPolarHBondContact O-CB 3.42Å; L88-T92 PolarHBondContact O-N 2.93Å; L88-T92 PolarHBondContact O-OG1 3.39Å; L88-I114 HydrophobicContact CD1-CG2 3.96Å; L88-L117 HydrophobicContact CB-CB 4.19Å; L88-L117 HydrophobicContact CB-CD1 4.23Å; L88-L117 HydrophobicContact CD1-CB 4.06Å; L88-F121 HydrophobicContact CB-CD2 4.13Å; L88-F121 HydrophobicContact CB-CE2 3.81Å; L88-F121 HydrophobicContact CD2-CD2 3.92Å; L88-F121 HydrophobicContact CD2-CE2 4.46Å |
| 89 | Q | 98.4 | Very high | 97.5 | Very high | 99 Ų | 99 | 75.6 Ų | 75.6 | 46% | 0.463 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 177.1 | -71 | 167.8 | -16.3 | 0 | 0 | 111.6 | F83 N86 E87 T92 R93 | F83-Q89 HydrophobicContact CZ-CB 4.21Å; N86-Q89 PolarHBondContact O-N 3.25Å; N86-Q89 WeakPolarHBondContact OD1-CB 3.37Å; N86-Q89 VanDerWaalsContact OD1-CG 3.27Å; N86-Q89 WeakPolarHBondContact OD1-CG 3.3Å; N86-Q89 PolarHBondContact OD1-N 2.95Å; E87-Q89 PolarHBondContact O-N 3.45Å; Q89-T92 PolarHBondContact O-N 2.95Å; Q89-R93 VanDerWaalsContact O-CB 3.32Å; Q89-R93 WeakPolarHBondContact O-CB 3.43Å; Q89-R93 PolarHBondContact O-N 2.81Å |
| 90 | R | 98.4 | Very high | 97.5 | Very high | 119 Ų | 119 | 79.7 Ų | 79.7 | 45% | 0.449 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 177.1 | -74 | -171.3 | -66.1 | 173 | 1.4 | 112.1 | F83 N86 E87 R93 K94 | F83-R90 HydrophobicContact CD1-CG 4.4Å; F83-R90 HydrophobicContact CE1-CG 4.01Å; N86-R90 WeakPolarHBondContact O-CG 3.5Å; N86-R90 PolarHBondContact O-N 2.9Å; E87-R90 PolarHBondContact O-N 3.5Å; R90-R93 PolarHBondContact O-N 3.14Å; R90-K94 WeakPolarHBondContact O-CB 3.35Å; R90-K94 PolarHBondContact O-N 3Å |
| 91 | L | 98.4 | Very high | 97.5 | Very high | 31 Ų | 31 | 87.7 Ų | 87.7 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.6 | -40.8 | 178.5 | -67.6 | 175.5 | 0 | 0 | 0 | 111.8 | E87 L88 R93 K94 K95 M110 R113 I114 L117 | E87-L91 HydrophobicContact CG-CD1 4.05Å; E87-L91 HydrophobicContact CG-CG 4.37Å; E87-L91 WeakPolarHBondContact O-CG 3.32Å; E87-L91 PolarHBondContact O-N 3.25Å; L88-L91 PolarHBondContact O-N 2.9Å; L91-R93 VanDerWaalsContact C-N 3.33Å; L91-R93 PolarHBondContact O-N 2.72Å; L91-K94 PolarHBondContact O-N 2.84Å; L91-K95 WeakPolarHBondContact O-CB 3.32Å; L91-K95 PolarHBondContact O-N 3.11Å; L91-M110 HydrophobicContact CD2-CG 4.18Å; L91-R113 HydrophobicContact CD1-CB 4.02Å; L91-R113 HydrophobicContact CD1-CG 3.45Å; L91-R113 VanDerWaalsContact CD1-CG 3.45Å; L91-I114 HydrophobicContact CB-CD1 3.98Å; L91-I114 HydrophobicContact CB-CG1 3.61Å; L91-I114 HydrophobicContact CD1-CG1 4.25Å; L91-L117 HydrophobicContact CD1-CD1 3.86Å |
| 92 | T | 98.2 | Very high | 97.6 | Very high | 58 Ų | 58 | 85.6 Ų | 85.6 | 36% | 0.356 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 175.5 | -56.4 | 0 | 0 | 0 | 0 | 111 | L88 Q89 K95 R96 | L88-T92 WeakPolarHBondContact O-CB 3.42Å; L88-T92 PolarHBondContact O-N 2.93Å; L88-T92 PolarHBondContact O-OG1 3.39Å; Q89-T92 PolarHBondContact O-N 2.95Å; T92-K95 PolarHBondContact O-N 3.33Å; T92-R96 WeakPolarHBondContact O-CG 3.35Å; T92-R96 PolarHBondContact O-N 3Å |
| 93 | R | 98.4 | Very high | 97.7 | Very high | 89 Ų | 89 | 89.5 Ų | 89.5 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 175.8 | -174.7 | 172.5 | 171.9 | 82.6 | 2.6 | 112 | W79 Q89 R90 L91 K95 R96 M97 | W79-R93 HydrophobicContact CB-CG 4.4Å; W79-R93 WeakPolarHBondContact O-CD 3.44Å; W79-R93 PolarHBondContact O-NE 2.92Å; Q89-R93 VanDerWaalsContact O-CB 3.32Å; Q89-R93 WeakPolarHBondContact O-CB 3.43Å; Q89-R93 PolarHBondContact O-N 2.81Å; R90-R93 PolarHBondContact O-N 3.14Å; L91-R93 VanDerWaalsContact C-N 3.33Å; L91-R93 PolarHBondContact O-N 2.72Å; R93-K95 PolarHBondContact O-N 2.76Å; R93-R96 PolarHBondContact O-N 3Å; R93-M97 HydrophobicContact CG-CG 4.39Å; R93-M97 HydrophobicContact CG-SD 3.6Å; R93-M97 WeakPolarHBondContact O-CB 3.42Å; R93-M97 WeakPolarHBondContact O-CG 3.47Å; R93-M97 PolarHBondContact O-N 3.1Å |
| 94 | K | 98.4 | Very high | 97.8 | Very high | 58 Ų | 58 | 92.5 Ų | 92.5 | 25% | 0.252 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.1 | -46.8 | 175.2 | -175.5 | 179.6 | -179.7 | -174.5 | 0 | 111.4 | W79 R90 L91 R96 M97 V98 G99 M102 M110 | W79-K94 HydrophobicContact CB-CB 4.47Å; W79-K94 HydrophobicContact CD2-CB 4.32Å; W79-K94 HydrophobicContact CD2-CD 4.42Å; W79-K94 HydrophobicContact CD2-CG 3.88Å; W79-K94 HydrophobicContact CE3-CG 4.44Å; W79-K94 HydrophobicContact CG-CB 3.96Å; W79-K94 HydrophobicContact CG-CG 4.06Å; W79-K94 HydrophobicContact CZ2-CD 3.96Å; W79-K94 HydrophobicContact CZ2-CG 4.25Å; R90-K94 WeakPolarHBondContact O-CB 3.35Å; R90-K94 PolarHBondContact O-N 3Å; L91-K94 PolarHBondContact O-N 2.84Å; K94-R96 VanDerWaalsContact C-N 3.33Å; K94-R96 PolarHBondContact O-N 2.72Å; K94-M97 PolarHBondContact O-N 3.35Å; K94-V98 PolarHBondContact O-N 3.41Å; K94-G99 PolarHBondContact O-N 2.93Å; K94-M102 HydrophobicContact CD-SD 4.48Å; K94-M102 HydrophobicContact CG-SD 4.35Å; K94-M110 HydrophobicContact CB-SD 4.26Å; K94-M110 HydrophobicContact CD-SD 4.07Å; K94-M110 HydrophobicContact CG-SD 4.09Å |
| 95 | K | 97.9 | Very high | 97.8 | Very high | 83 Ų | 83 | 86 Ų | 86 | 36% | 0.361 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.9 | -45.3 | 175.9 | 177 | 171.1 | 168 | 163.2 | 0 | 111.6 | L91 T92 R93 G99 M110 E111 I114 | L91-K95 WeakPolarHBondContact O-CB 3.32Å; L91-K95 PolarHBondContact O-N 3.11Å; T92-K95 PolarHBondContact O-N 3.33Å; R93-K95 PolarHBondContact O-N 2.76Å; K95-G99 VanDerWaalsContact O-CA 3.23Å; K95-G99 WeakPolarHBondContact O-CA 3.15Å; K95-G99 PolarHBondContact O-N 3.24Å; K95-G99 VanDerWaalsContact O-N 3.09Å; K95-M110 HydrophobicContact CB-CE 3.75Å; K95-M110 HydrophobicContact CB-SD 4.1Å; K95-M110 HydrophobicContact CG-CE 4.19Å; K95-E111 HydrophobicContact CD-CG 4.13Å; K95-E111 WeakPolarHBondContact CE-OE1 3.5Å; K95-E111 IonicContact NZ-OE1 3.75Å; K95-E111 PolarHBondContact NZ-OE1 3.24Å; K95-I114 HydrophobicContact CB-CD1 4.21Å; K95-I114 HydrophobicContact CD-CD1 4.03Å |
| 96 | R | 97.6 | Very high | 97.9 | Very high | 208 Ų | 208 | 89.2 Ų | 89.2 | 79% | 0.785 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -68.4 | -35.3 | 179.1 | -73.1 | 179.5 | 65.1 | -171.5 | 0.2 | 114 | T92 R93 K94 | T92-R96 WeakPolarHBondContact O-CG 3.35Å; T92-R96 PolarHBondContact O-N 3Å; R93-R96 PolarHBondContact O-N 3Å; K94-R96 VanDerWaalsContact C-N 3.33Å; K94-R96 PolarHBondContact O-N 2.72Å |
| 97 | M | 97.8 | Very high | 97.9 | Very high | 68 Ų | 68 | 88.9 Ų | 88.9 | 34% | 0.335 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -91.4 | -37.6 | -172 | -67.1 | 178.6 | 71.8 | 0 | 0 | 113.5 | V78 W79 R93 K94 | V78-M97 HydrophobicContact CG1-CE 3.82Å; W79-M97 HydrophobicContact CB-CB 4.41Å; W79-M97 HydrophobicContact CB-SD 3.77Å; R93-M97 HydrophobicContact CG-CG 4.39Å; R93-M97 HydrophobicContact CG-SD 3.6Å; R93-M97 WeakPolarHBondContact O-CB 3.42Å; R93-M97 WeakPolarHBondContact O-CG 3.47Å; R93-M97 PolarHBondContact O-N 3.1Å; K94-M97 PolarHBondContact O-N 3.35Å |
| 98 | V | 97.8 | Very high | 97.9 | Very high | 39 Ų | 39 | 89.7 Ų | 89.7 | 24% | 0.236 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -129.9 | -3.9 | -171.2 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | W79 K94 D100 R101 M102 | W79-V98 HydrophobicContact CE3-CB 3.99Å; W79-V98 HydrophobicContact CE3-CG1 4.49Å; W79-V98 HydrophobicContact CE3-CG2 3.39Å; W79-V98 HydrophobicContact CZ3-CB 3.95Å; W79-V98 HydrophobicContact CZ3-CG1 3.94Å; W79-V98 HydrophobicContact CZ3-CG2 3.59Å; K94-V98 PolarHBondContact O-N 3.41Å; V98-D100 PolarHBondContact O-N 3.29Å; V98-R101 PolarHBondContact O-N 2.96Å; V98-M102 HydrophobicContact CG1-CG 4.25Å; V98-M102 WeakPolarHBondContact O-CG 3.46Å; V98-M102 PolarHBondContact O-N 3.33Å |
| 99 | G | 96.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 91.4 Ų | 91.4 | 1% | 0.01 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | K94 K95 K107 | K94-G99 PolarHBondContact O-N 2.93Å; K95-G99 VanDerWaalsContact O-CA 3.23Å; K95-G99 WeakPolarHBondContact O-CA 3.15Å; K95-G99 PolarHBondContact O-N 3.24Å; K95-G99 VanDerWaalsContact O-N 3.09Å; G99-K107 WeakPolarHBondContact O-CD 3.38Å; G99-K107 WeakPolarHBondContact O-CE 2.94Å; G99-K107 PolarHBondContact O-NZ 2.93Å; G99-K107 VanDerWaalsContact O-NZ 3.07Å |
| 100 | D | 96.6 | Very high | 97.9 | Very high | 143 Ų | 143 | 87.3 Ų | 87.3 | 77% | 0.765 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -24.5 | 176.9 | -61.3 | -26 | 0 | 0 | 0 | 112.9 | V98 K107 | V98-D100 PolarHBondContact O-N 3.29Å; D100-K107 IonicContact OD1-NZ 3.71Å |
| 101 | R | 97.1 | Very high | 97.9 | Very high | 218 Ų | 218 | 84.2 Ų | 84.2 | 82% | 0.823 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -103.7 | 3.1 | -178.6 | -48.7 | 179.7 | -150.4 | 177.9 | 4 | 112.6 | V98 | V98-R101 PolarHBondContact O-N 2.96Š|
| 102 | M | 97.1 | Very high | 97.9 | Very high | 33 Ų | 33 | 87 Ų | 87 | 16% | 0.163 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -79.7 | 151.1 | 179.4 | -78 | -179.8 | 64.5 | 0 | 0 | 111.1 | K94 V98 D106 K107 M110 | K94-M102 HydrophobicContact CD-SD 4.48Å; K94-M102 HydrophobicContact CG-SD 4.35Å; V98-M102 HydrophobicContact CG1-CG 4.25Å; V98-M102 WeakPolarHBondContact O-CG 3.46Å; V98-M102 PolarHBondContact O-N 3.33Å; M102-D106 HydrophobicContact CE-CB 3.72Å; M102-K107 HydrophobicContact CB-CB 4.39Å; M102-M110 HydrophobicContact CE-CE 3.78Å; M102-M110 HydrophobicContact CE-SD 4.09Å; M102-M110 HydrophobicContact SD-CE 3.5Å; M102-M110 WeakPolarHBondContact SD-CE 3.48Å; M102-M110 HydrophobicContact SD-SD 4.04Å |
| 103 | M | 98.4 | Very high | 97.9 | Very high | 140 Ų | 140 | 89 Ų | 89 | 69% | 0.69 | 41% | 0.409 | S | S | * | . | trans | -59.5 | 145.6 | 170.4 | -58.7 | -59.1 | 172.6 | 0 | 0 | 110.4 | Q105 D106 K107 | M103-Q105 VanDerWaalsContact C-N 3.3Å; M103-Q105 PolarHBondContact O-N 3.44Å; M103-D106 HydrophobicContact CB-CB 4.42Å; M103-D106 PolarHBondContact O-N 3.15Å; M103-K107 WeakPolarHBondContact O-CB 3.05Å; M103-K107 PolarHBondContact O-N 3.2Å | ||
| 104 | T | 97.8 | Very high | 97.9 | Very high | 125 Ų | 125 | 86.2 Ų | 86.2 | 77% | 0.767 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -56.1 | -44 | -175.5 | -52.2 | 0 | 0 | 0 | 0 | 112.3 | K107 H108 | T104-K107 PolarHBondContact O-N 3.07Å; T104-H108 WeakPolarHBondContact O-CB 3.34Å; T104-H108 PolarHBondContact O-N 3.33Å |
| 105 | Q | 98.2 | Very high | 97.9 | Very high | 111 Ų | 111 | 90.4 Ų | 90.4 | 52% | 0.519 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.3 | -49.4 | 179.4 | -174.3 | 58.1 | 38.3 | 0 | 0 | 111.7 | M103 K107 H108 D109 | M103-Q105 VanDerWaalsContact C-N 3.3Å; M103-Q105 PolarHBondContact O-N 3.44Å; Q105-K107 VanDerWaalsContact C-N 3.28Å; Q105-K107 PolarHBondContact O-N 2.89Å; Q105-H108 WeakPolarHBondContact O-CB 3.37Å; Q105-H108 PolarHBondContact O-N 2.89Å; Q105-H108 VanDerWaalsContact O-N 3.14Å; Q105-D109 VanDerWaalsContact NE2-CG 3.33Å; Q105-D109 PolarHBondContact NE2-OD1 3.33Å; Q105-D109 PolarHBondContact NE2-OD2 3.16Å; Q105-D109 PolarHBondContact O-N 3.06Å |
| 106 | D | 98 | Very high | 98 | Very high | 89 Ų | 89 | 90.9 Ų | 90.9 | 48% | 0.476 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 178.6 | -67.2 | -15.9 | 0 | 0 | 0 | 112.1 | M102 M103 M110 | M102-D106 HydrophobicContact CE-CB 3.72Å; M103-D106 HydrophobicContact CB-CB 4.42Å; M103-D106 PolarHBondContact O-N 3.15Å; D106-M110 WeakPolarHBondContact O-CB 3.12Å; D106-M110 PolarHBondContact O-N 3.02Å |
| 107 | K | 98.1 | Very high | 98 | Very high | 62 Ų | 62 | 81.1 Ų | 81.1 | 27% | 0.27 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 175.8 | -173.9 | 177.9 | -173.8 | 159.6 | 0 | 110.6 | G99 D100 M102 M103 T104 Q105 M110 E111 | G99-K107 WeakPolarHBondContact O-CD 3.38Å; G99-K107 WeakPolarHBondContact O-CE 2.94Å; G99-K107 PolarHBondContact O-NZ 2.93Å; G99-K107 VanDerWaalsContact O-NZ 3.07Å; D100-K107 IonicContact OD1-NZ 3.71Å; M102-K107 HydrophobicContact CB-CB 4.39Å; M103-K107 WeakPolarHBondContact O-CB 3.05Å; M103-K107 PolarHBondContact O-N 3.2Å; T104-K107 PolarHBondContact O-N 3.07Å; Q105-K107 VanDerWaalsContact C-N 3.28Å; Q105-K107 PolarHBondContact O-N 2.89Å; K107-M110 PolarHBondContact O-N 3.33Å; K107-E111 VanDerWaalsContact O-CG 3.3Å; K107-E111 WeakPolarHBondContact O-CG 3.47Å; K107-E111 PolarHBondContact O-N 3.15Å |
| 108 | H | 98.3 | Very high | 98.1 | Very high | 83 Ų | 83 | 84.5 Ų | 84.5 | 38% | 0.384 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 178.3 | 179 | 77.7 | 0 | 0 | 0 | 112.3 | T104 Q105 E111 K112 | T104-H108 WeakPolarHBondContact O-CB 3.34Å; T104-H108 PolarHBondContact O-N 3.33Å; Q105-H108 WeakPolarHBondContact O-CB 3.37Å; Q105-H108 PolarHBondContact O-N 2.89Å; Q105-H108 VanDerWaalsContact O-N 3.14Å; H108-E111 PolarHBondContact O-N 3.3Å; H108-K112 VanDerWaalsContact CD2-CE 3.44Å; H108-K112 WeakPolarHBondContact CD2-CE 3.4Å; H108-K112 PolarHBondContact CD2-NZ 3.14Å; H108-K112 WeakPolarHBondContact NE2-CD 3.45Å; H108-K112 WeakPolarHBondContact NE2-CE 3.38Å; H108-K112 PolarHBondContact NE2-NZ 2.7Å; H108-K112 WeakPolarHBondContact O-CG 3.5Å; H108-K112 PolarHBondContact O-N 3.5Å |
| 109 | D | 98.5 | Very high | 98.1 | Very high | 63 Ų | 63 | 88.8 Ų | 88.8 | 34% | 0.337 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.5 | -41.2 | 178.3 | -71 | -29.4 | 0 | 0 | 0 | 112.3 | Q105 E111 K112 R113 | Q105-D109 VanDerWaalsContact NE2-CG 3.33Å; Q105-D109 PolarHBondContact NE2-OD1 3.33Å; Q105-D109 PolarHBondContact NE2-OD2 3.16Å; Q105-D109 PolarHBondContact O-N 3.06Å; D109-E111 VanDerWaalsContact C-N 3.33Å; D109-E111 PolarHBondContact O-N 2.86Å; D109-K112 PolarHBondContact O-N 3.23Å; D109-K112 WeakPolarHBondContact OD1-CE 3.42Å; D109-K112 IonicContact OD1-NZ 3.14Å; D109-K112 PolarHBondContact OD1-NZ 2.76Å; D109-R113 WeakPolarHBondContact O-CB 3.19Å; D109-R113 PolarHBondContact O-N 2.75Å |
| 110 | M | 98.3 | Very high | 98.1 | Very high | 12 Ų | 12 | 92.8 Ų | 92.8 | 6% | 0.059 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.1 | -44.1 | 172.1 | 175.6 | 174.3 | 61.6 | 0 | 0 | 111.6 | L91 K94 K95 M102 D106 K107 R113 I114 | L91-M110 HydrophobicContact CD2-CG 4.18Å; K94-M110 HydrophobicContact CB-SD 4.26Å; K94-M110 HydrophobicContact CD-SD 4.07Å; K94-M110 HydrophobicContact CG-SD 4.09Å; K95-M110 HydrophobicContact CB-CE 3.75Å; K95-M110 HydrophobicContact CB-SD 4.1Å; K95-M110 HydrophobicContact CG-CE 4.19Å; M102-M110 HydrophobicContact CE-CE 3.78Å; M102-M110 HydrophobicContact CE-SD 4.09Å; M102-M110 HydrophobicContact SD-CE 3.5Å; M102-M110 WeakPolarHBondContact SD-CE 3.48Å; M102-M110 HydrophobicContact SD-SD 4.04Å; D106-M110 WeakPolarHBondContact O-CB 3.12Å; D106-M110 PolarHBondContact O-N 3.02Å; K107-M110 PolarHBondContact O-N 3.33Å; M110-R113 PolarHBondContact O-N 2.82Å; M110-I114 HydrophobicContact CG-CD1 4.02Å; M110-I114 VanDerWaalsContact O-CG1 3.32Å; M110-I114 WeakPolarHBondContact O-CG1 3.48Å; M110-I114 PolarHBondContact O-N 3.41Å |
| 111 | E | 98.3 | Very high | 98.2 | Very high | 54 Ų | 54 | 90.5 Ų | 90.5 | 25% | 0.252 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.4 | -38.3 | 178.7 | -73.3 | -179.4 | 163 | 0 | 0 | 113.1 | K95 K107 H108 D109 R113 I114 R115 | K95-E111 HydrophobicContact CD-CG 4.13Å; K95-E111 WeakPolarHBondContact CE-OE1 3.5Å; K95-E111 IonicContact NZ-OE1 3.75Å; K95-E111 PolarHBondContact NZ-OE1 3.24Å; K107-E111 VanDerWaalsContact O-CG 3.3Å; K107-E111 WeakPolarHBondContact O-CG 3.47Å; K107-E111 PolarHBondContact O-N 3.15Å; H108-E111 PolarHBondContact O-N 3.3Å; D109-E111 VanDerWaalsContact C-N 3.33Å; D109-E111 PolarHBondContact O-N 2.86Å; E111-R113 VanDerWaalsContact C-N 3.31Å; E111-R113 PolarHBondContact O-N 2.82Å; E111-I114 PolarHBondContact O-N 2.96Å; E111-R115 WeakPolarHBondContact O-CG 2.95Å; E111-R115 PolarHBondContact O-N 3.03Å |
| 112 | K | 98.6 | Very high | 98.2 | Very high | 90 Ų | 90 | 84 Ų | 84 | 39% | 0.391 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 169.6 | -76.1 | -174.3 | -60.4 | -168.1 | 0 | 110.9 | H108 D109 R115 F116 | H108-K112 VanDerWaalsContact CD2-CE 3.44Å; H108-K112 WeakPolarHBondContact CD2-CE 3.4Å; H108-K112 PolarHBondContact CD2-NZ 3.14Å; H108-K112 WeakPolarHBondContact NE2-CD 3.45Å; H108-K112 WeakPolarHBondContact NE2-CE 3.38Å; H108-K112 PolarHBondContact NE2-NZ 2.7Å; H108-K112 WeakPolarHBondContact O-CG 3.5Å; H108-K112 PolarHBondContact O-N 3.5Å; D109-K112 PolarHBondContact O-N 3.23Å; D109-K112 WeakPolarHBondContact OD1-CE 3.42Å; D109-K112 IonicContact OD1-NZ 3.14Å; D109-K112 PolarHBondContact OD1-NZ 2.76Å; K112-R115 PolarHBondContact O-N 2.84Å; K112-F116 PolarHBondContact O-N 3.36Å |
| 113 | R | 98.6 | Very high | 98.1 | Very high | 101 Ų | 101 | 90 Ų | 90 | 38% | 0.381 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64 | -44 | 178.7 | -173.2 | 62.2 | 177.9 | 178.4 | 2.4 | 112.2 | E87 L91 D109 M110 E111 R115 F116 L117 | E87-R113 IonicContact OE1-CZ 2.76Å; E87-R113 IonicContact OE1-NE 2.7Å; E87-R113 PolarHBondContact OE1-NE 2.96Å; E87-R113 IonicContact OE1-NH2 2.71Å; E87-R113 PolarHBondContact OE1-NH2 2.9Å; E87-R113 VanDerWaalsContact OE1-NH2 3.14Å; E87-R113 IonicContact OE2-CZ 3.34Å; E87-R113 IonicContact OE2-NE 2.72Å; E87-R113 IonicContact OE2-NH2 3.96Å; E87-R113 PolarHBondContact OE2-NH2 3.07Å; L91-R113 HydrophobicContact CD1-CB 4.02Å; L91-R113 HydrophobicContact CD1-CG 3.45Å; L91-R113 VanDerWaalsContact CD1-CG 3.45Å; D109-R113 WeakPolarHBondContact O-CB 3.19Å; D109-R113 PolarHBondContact O-N 2.75Å; M110-R113 PolarHBondContact O-N 2.82Å; E111-R113 VanDerWaalsContact C-N 3.31Å; E111-R113 PolarHBondContact O-N 2.82Å; R113-R115 PolarHBondContact O-N 2.84Å; R113-F116 PolarHBondContact O-N 2.75Å; R113-L117 HydrophobicContact CG-CD1 4.09Å; R113-L117 HydrophobicContact CG-CG 4.44Å; R113-L117 WeakPolarHBondContact O-CG 3.32Å; R113-L117 PolarHBondContact O-N 3.31Å |
| 114 | I | 98.6 | Very high | 98 | Very high | 29 Ų | 29 | 89.8 Ų | 89.8 | 15% | 0.149 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58 | -48 | 174.9 | -70.1 | 167 | 0 | 0 | 0 | 110.6 | L88 L91 K95 M110 E111 F116 L117 Y118 | L88-I114 HydrophobicContact CD1-CG2 3.96Å; L91-I114 HydrophobicContact CB-CD1 3.98Å; L91-I114 HydrophobicContact CB-CG1 3.61Å; L91-I114 HydrophobicContact CD1-CG1 4.25Å; K95-I114 HydrophobicContact CB-CD1 4.21Å; K95-I114 HydrophobicContact CD-CD1 4.03Å; M110-I114 HydrophobicContact CG-CD1 4.02Å; M110-I114 VanDerWaalsContact O-CG1 3.32Å; M110-I114 WeakPolarHBondContact O-CG1 3.48Å; M110-I114 PolarHBondContact O-N 3.41Å; E111-I114 PolarHBondContact O-N 2.96Å; I114-F116 VanDerWaalsContact C-N 3.32Å; I114-F116 PolarHBondContact O-N 3.31Å; I114-L117 PolarHBondContact O-N 2.85Å; I114-Y118 WeakPolarHBondContact O-CB 3.44Å; I114-Y118 PolarHBondContact O-N 3.45Å |
| 115 | R | 98.6 | Very high | 97.9 | Very high | 146 Ų | 146 | 86.7 Ų | 86.7 | 55% | 0.551 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.4 | -37.8 | 178.2 | -74.5 | -174.8 | -69.4 | 177.8 | -2.6 | 112.8 | E111 K112 R113 R119 | E111-R115 WeakPolarHBondContact O-CG 2.95Å; E111-R115 PolarHBondContact O-N 3.03Å; K112-R115 PolarHBondContact O-N 2.84Å; R113-R115 PolarHBondContact O-N 2.84Å; R115-R119 WeakPolarHBondContact O-CG 3.3Å; R115-R119 PolarHBondContact O-N 2.74Å; R115-R119 PolarHBondContact O-NE 2.7Å |
| 116 | F | 98.6 | Very high | 97.8 | Very high | 93 Ų | 93 | 90.7 Ų | 90.7 | 41% | 0.408 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.5 | -53.7 | 174.3 | 169.8 | -97.8 | 0 | 0 | 0 | 111.2 | K112 R113 I114 Y118 R119 H120 | K112-F116 PolarHBondContact O-N 3.36Å; R113-F116 PolarHBondContact O-N 2.75Å; I114-F116 VanDerWaalsContact C-N 3.32Å; I114-F116 PolarHBondContact O-N 3.31Å; F116-Y118 VanDerWaalsContact C-N 3.34Å; F116-Y118 PolarHBondContact O-N 3.41Å; F116-R119 PolarHBondContact O-N 2.9Å; F116-R119 VanDerWaalsContact O-N 3.17Å; F116-H120 HydrophobicContact CE1-CB 4.47Å; F116-H120 HydrophobicContact CZ-CB 4.47Å; F116-H120 WeakPolarHBondContact O-CB 3.42Å; F116-H120 PolarHBondContact O-N 2.82Å |
| 117 | L | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 94 Ų | 94 | 2% | 0.021 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.9 | -39.5 | -177.2 | -69.5 | 173.6 | 0 | 0 | 0 | 112.4 | E87 L88 L91 R113 I114 R119 H120 F121 | E87-L117 HydrophobicContact CB-CD1 4.01Å; E87-L117 HydrophobicContact CG-CD1 3.77Å; L88-L117 HydrophobicContact CB-CB 4.19Å; L88-L117 HydrophobicContact CB-CD1 4.23Å; L88-L117 HydrophobicContact CD1-CB 4.06Å; L91-L117 HydrophobicContact CD1-CD1 3.86Å; R113-L117 HydrophobicContact CG-CD1 4.09Å; R113-L117 HydrophobicContact CG-CG 4.44Å; R113-L117 WeakPolarHBondContact O-CG 3.32Å; R113-L117 PolarHBondContact O-N 3.31Å; I114-L117 PolarHBondContact O-N 2.85Å; L117-R119 VanDerWaalsContact C-N 3.34Å; L117-R119 PolarHBondContact O-N 2.86Å; L117-H120 PolarHBondContact O-N 3.16Å; L117-F121 HydrophobicContact CB-CE2 4.36Å; L117-F121 HydrophobicContact CD2-CE2 4.39Å; L117-F121 HydrophobicContact CD2-CZ 4.1Å; L117-F121 WeakPolarHBondContact O-CB 3.31Å; L117-F121 WeakPolarHBondContact O-CG 3.45Å; L117-F121 PolarHBondContact O-N 2.92Å |
| 118 | Y | 98.4 | Very high | 96.8 | Very high | 139 Ų | 139 | 103.3 Ų | 103.3 | 55% | 0.545 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 175.6 | -176.8 | -91.3 | 0 | 0 | 0 | 111.7 | I114 F116 N122 | I114-Y118 WeakPolarHBondContact O-CB 3.44Å; I114-Y118 PolarHBondContact O-N 3.45Å; F116-Y118 VanDerWaalsContact C-N 3.34Å; F116-Y118 PolarHBondContact O-N 3.41Å; Y118-N122 WeakPolarHBondContact CD2-ND2 3.41Å; Y118-N122 WeakPolarHBondContact CE2-ND2 3.37Å; Y118-N122 WeakPolarHBondContact O-CB 3.47Å; Y118-N122 PolarHBondContact O-N 2.9Å; Y118-N122 PolarHBondContact O-ND2 3.06Å |
| 119 | R | 98.2 | Very high | 96.7 | Very high | 128 Ų | 128 | 104.4 Ų | 104.4 | 48% | 0.483 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 175 | -72.4 | -175.9 | -67.4 | 168.9 | 0.1 | 111.1 | R115 F116 L117 R123 F124 | R115-R119 WeakPolarHBondContact O-CG 3.3Å; R115-R119 PolarHBondContact O-N 2.74Å; R115-R119 PolarHBondContact O-NE 2.7Å; F116-R119 PolarHBondContact O-N 2.9Å; F116-R119 VanDerWaalsContact O-N 3.17Å; L117-R119 VanDerWaalsContact C-N 3.34Å; L117-R119 PolarHBondContact O-N 2.86Å; R119-R123 WeakPolarHBondContact O-CB 3.42Å; R119-R123 WeakPolarHBondContact O-CG 3.31Å; R119-R123 PolarHBondContact O-N 3.08Å; R119-F124 WeakPolarHBondContact O-CD2 3.35Å |
| 120 | H | 97.9 | Very high | 96.6 | Very high | 86 Ų | 86 | 106.5 Ų | 106.5 | 40% | 0.398 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.7 | -57.4 | -177.9 | -172 | 62.4 | 0 | 0 | 0 | 111.4 | F116 L117 N122 F124 | F116-H120 HydrophobicContact CE1-CB 4.47Å; F116-H120 HydrophobicContact CZ-CB 4.47Å; F116-H120 WeakPolarHBondContact O-CB 3.42Å; F116-H120 PolarHBondContact O-N 2.82Å; L117-H120 PolarHBondContact O-N 3.16Å; H120-N122 VanDerWaalsContact C-N 3.34Å; H120-N122 PolarHBondContact O-N 3.45Å; H120-F124 CarbonylContact O-C 3.55Å; H120-F124 WeakPolarHBondContact O-CA 3.38Å; H120-F124 WeakPolarHBondContact O-CB 3.38Å; H120-F124 PolarHBondContact O-N 3.35Å |
| 121 | F | 97.4 | Very high | 96.5 | Very high | 95 Ų | 95 | 111.8 Ų | 111.8 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.8 | -32 | -175.6 | -65.2 | -25.8 | 0 | 0 | 0 | 114.3 | L88 L117 | L88-F121 HydrophobicContact CB-CD2 4.13Å; L88-F121 HydrophobicContact CB-CE2 3.81Å; L88-F121 HydrophobicContact CD2-CD2 3.92Å; L88-F121 HydrophobicContact CD2-CE2 4.46Å; L117-F121 HydrophobicContact CB-CE2 4.36Å; L117-F121 HydrophobicContact CD2-CE2 4.39Å; L117-F121 HydrophobicContact CD2-CZ 4.1Å; L117-F121 WeakPolarHBondContact O-CB 3.31Å; L117-F121 WeakPolarHBondContact O-CG 3.45Å; L117-F121 PolarHBondContact O-N 2.92Å |
| 122 | N | 96.9 | Very high | 96.4 | Very high | 81 Ų | 81 | 115.2 Ų | 115.2 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -95.6 | -20 | -174.7 | -62.9 | -54.5 | 0 | 0 | 0 | 113.8 | Y118 H120 R128 | Y118-N122 WeakPolarHBondContact CD2-ND2 3.41Å; Y118-N122 WeakPolarHBondContact CE2-ND2 3.37Å; Y118-N122 WeakPolarHBondContact O-CB 3.47Å; Y118-N122 PolarHBondContact O-N 2.9Å; Y118-N122 PolarHBondContact O-ND2 3.06Å; H120-N122 VanDerWaalsContact C-N 3.34Å; H120-N122 PolarHBondContact O-N 3.45Å; N122-R128 PolarHBondContact O-NH2 2.71Å |
| 123 | R | 96.6 | Very high | 96.3 | Very high | 160 Ų | 160 | 116.8 Ų | 116.8 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -112.8 | -24.7 | -176.5 | -55 | -178.4 | 179.5 | -171.8 | -2.4 | 113.6 | R119 | R119-R123 WeakPolarHBondContact O-CB 3.42Å; R119-R123 WeakPolarHBondContact O-CG 3.31Å; R119-R123 PolarHBondContact O-N 3.08Å |
| 124 | F | 95.9 | Very high | 96.1 | Very high | 135 Ų | 135 | 117.8 Ų | 117.8 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | trans | -121.1 | 138.5 | -175.9 | -55.6 | -94 | 0 | 0 | 0 | 109.4 | R119 H120 | R119-F124 WeakPolarHBondContact O-CD2 3.35Å; H120-F124 CarbonylContact O-C 3.55Å; H120-F124 WeakPolarHBondContact O-CA 3.38Å; H120-F124 WeakPolarHBondContact O-CB 3.38Å; H120-F124 PolarHBondContact O-N 3.35Å | ||
| 125 | G | 95.3 | Very high | 95.9 | Very high | 60 Ų | 60 | 124.1 Ų | 124.1 | 62% | 0.619 | 55% | 0.545 | S | S | * | . | trans | 169.2 | 145.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 126 | K | 96.3 | Very high | 95.7 | Very high | 194 Ų | 194 | 122.5 Ų | 122.5 | 84% | 0.843 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -72.6 | -38.2 | 174.5 | -177.9 | -180 | 178.7 | -176.9 | 0 | 111.4 | ||
| 127 | H | 92.4 | Very high | 95.5 | Very high | 159 Ų | 159 | 124.9 Ų | 124.9 | 74% | 0.736 | 56% | 0.555 | S | S | * | * | trans | -105.1 | 132.1 | 179.8 | -56.9 | -66.5 | 0 | 0 | 0 | 108.4 | ||||
| 128 | R | 81.9 | Confident | 95.2 | Very high | 258 Ų | 258 | 135.9 Ų | 135.9 | 97% | 0.974 | 60% | 0.604 | S | S | * | * | trans | -144.7 | 0 | 179.5 | -131.9 | -179.8 | -177.7 | -179.6 | -1.1 | 109.7 | N122 | N122-R128 PolarHBondContact O-NH2 2.71Š|
Retrieved 128 of 128 residues in 152.8 ms
(Link to these results)