| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.1 | Very low | 40.5 | Very low | 250 Ų | 250 | 152.7 Ų | 152.7 | 100% | 1.232 | 84% | 0.844 | S | S | * | * | 0 | 123.8 | 0 | -71.6 | -179.4 | 165.2 | 0 | 0 | 106.8 | |||||
| 2 | A | 36.5 | Very low | 41.2 | Very low | 98 Ų | 98 | 151.3 Ų | 151.3 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | cis | -150.2 | 148.8 | 4.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | A | 37.3 | Very low | 41.2 | Very low | 99 Ų | 99 | 151.8 Ų | 151.8 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -71.9 | 146.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 4 | V | 42.9 | Very low | 41.3 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -120.4 | 137.5 | 161.6 | 178 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 5 | T | 37.8 | Very low | 41.8 | Very low | 113 Ų | 113 | 149.2 Ų | 149.2 | 69% | 0.693 | 82% | 0.824 | S | S | * | * | trans | -91.4 | 147.8 | -155.8 | 29 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 6 | L | 40.7 | Very low | 42 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | 49.5 | 118 | 135.2 | -73 | 151.3 | 0 | 0 | 0 | 121 | ||||
| 7 | R | 40.3 | Very low | 42.6 | Very low | 236 Ų | 236 | 146.4 Ų | 146.4 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | 172.4 | 109.8 | 113.9 | -96.8 | 174.3 | 177.7 | -158.7 | -0.4 | 108.6 | |||||
| 8 | N | 41.7 | Very low | 42.8 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | 55.2 | 102.5 | 93.5 | -165 | 37.7 | 0 | 0 | 0 | 114.4 | |||||
| 9 | S | 42.2 | Very low | 43.5 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -160.7 | 117.9 | 142.5 | 179 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 10 | R | 48.3 | Very low | 43.4 | Very low | 215 Ų | 215 | 146 Ų | 146 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -75 | 134.8 | 170 | -69 | 172.8 | 167.6 | 179.4 | -4.7 | 109.5 | ||||
| 11 | S | 41.8 | Very low | 43.6 | Very low | 105 Ų | 105 | 147.8 Ų | 147.8 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -153.3 | 98.6 | 149.4 | -163.1 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 12 | L | 49.3 | Very low | 44.3 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | 41 | 126.7 | 57.2 | -94.6 | 164.6 | 0 | 0 | 0 | 112 | |||||
| 13 | L | 40.3 | Very low | 44.8 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | 79.1 | 119.2 | -174.5 | -58.1 | 125.4 | 0 | 0 | 0 | 113 | ||||
| 14 | S | 43.1 | Very low | 45.7 | Very low | 89 Ų | 89 | 149.7 Ų | 149.7 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | cis | -162.9 | 122.8 | 12.7 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | F16 | S14-F16 PolarHBondContact O-N 3.41Š| ||
| 15 | L | 49 | Very low | 46.2 | Very low | 175 Ų | 175 | 149 Ų | 149 | 92% | 0.916 | 75% | 0.753 | S | S | * | * | trans | -55.5 | 95.4 | 145.8 | -79.1 | 145 | 0 | 0 | 0 | 107.2 | ||||
| 16 | F | 44.9 | Very low | 47.1 | Very low | 156 Ų | 156 | 149.6 Ų | 149.6 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | trans | -118.8 | 75.1 | 156.5 | -109.1 | -86.1 | 0 | 0 | 0 | 107.7 | S14 K18 | S14-F16 PolarHBondContact O-N 3.41Å; F16-K18 HydrophobicContact CD1-CG 3.81Å; F16-K18 PolarHBondContact O-N 3.49Å | ||
| 17 | S | 52.6 | Low | 47.7 | Very low | 94 Ų | 94 | 146 Ų | 146 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | trans | -48.8 | 83.4 | 143.7 | 158.6 | 0 | 0 | 0 | 0 | 108 | S19 | S17-S19 PolarHBondContact O-N 3.48Š| ||
| 18 | K | 46.3 | Very low | 48.3 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | trans | -80.3 | 71.9 | 156.7 | -72.1 | -172.9 | 178.4 | 177.3 | 0 | 106.1 | F16 F20 | F16-K18 HydrophobicContact CD1-CG 3.81Å; F16-K18 PolarHBondContact O-N 3.49Å; K18-F20 PolarHBondContact O-N 3.05Å | ||
| 19 | S | 54.9 | Low | 49.1 | Very low | 87 Ų | 87 | 140.6 Ų | 140.6 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | trans | -55.1 | 87.9 | 140.8 | 54.2 | 0 | 0 | 0 | 0 | 104.9 | S17 F21 | S17-S19 PolarHBondContact O-N 3.48Å; S19-F21 PolarHBondContact O-N 3.25Å | ||
| 20 | F | 42.3 | Very low | 50.4 | Low | 181 Ų | 181 | 139.1 Ų | 139.1 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | -65.2 | 94.6 | 174.4 | -159.2 | -97.8 | 0 | 0 | 0 | 104.3 | K18 R22 | K18-F20 PolarHBondContact O-N 3.05Å; F20-R22 VanDerWaalsContact C-N 3.31Å; F20-R22 PolarHBondContact O-N 2.91Å | ||
| 21 | F | 46.8 | Very low | 52 | Low | 184 Ų | 184 | 135 Ų | 135 | 81% | 0.807 | 72% | 0.718 | S | S | * | * | trans | -40.5 | 100.5 | 171.1 | -131.8 | -106.6 | 0 | 0 | 0 | 105.6 | S19 P23 | S19-F21 PolarHBondContact O-N 3.25Å; F21-P23 VanDerWaalsContact O-CD 3.26Å; F21-P23 WeakPolarHBondContact O-CD 3.49Å; F21-P23 VanDerWaalsContact O-N 3.14Å | ||
| 22 | R | 51.1 | Low | 54.2 | Low | 226 Ų | 226 | 133.8 Ų | 133.8 | 85% | 0.853 | 70% | 0.7 | S | S | * | * | trans | -59.9 | 118.6 | 160.8 | -79.7 | -177.1 | 174.9 | -145.7 | -0.7 | 103 | F20 E24 | F20-R22 VanDerWaalsContact C-N 3.31Å; F20-R22 PolarHBondContact O-N 2.91Å; R22-E24 PolarHBondContact O-N 3.13Å | ||
| 23 | P | 47.8 | Very low | 56.2 | Low | 100 Ų | 100 | 136 Ų | 136 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | trans | -55.8 | 120.1 | 166.5 | 24.4 | -28.7 | 0 | 0 | 0 | 104.8 | F21 L25 | F21-P23 VanDerWaalsContact O-CD 3.26Å; F21-P23 WeakPolarHBondContact O-CD 3.49Å; F21-P23 VanDerWaalsContact O-N 3.14Å; P23-L25 PolarHBondContact O-N 3.04Å | ||
| 24 | E | 56.5 | Low | 58.6 | Low | 161 Ų | 161 | 132.1 Ų | 132.1 | 75% | 0.752 | 68% | 0.68 | S | S | * | * | trans | -61.1 | 95.3 | 164.9 | -86.6 | -152.3 | 163.7 | 0 | 0 | 105.6 | R22 N26 | R22-E24 PolarHBondContact O-N 3.13Å; E24-N26 PolarHBondContact O-N 3.42Å; E24-N26 PolarHBondContact OE2-ND2 2.86Å | ||
| 25 | L | 51.8 | Low | 61 | Low | 131 Ų | 131 | 128.1 Ų | 128.1 | 69% | 0.686 | 65% | 0.652 | S | S | * | * | trans | -76.1 | 67.3 | 174.5 | -147.3 | 155.1 | 0 | 0 | 0 | 106.2 | P23 A27 | P23-L25 PolarHBondContact O-N 3.04Å; L25-A27 PolarHBondContact O-N 2.82Å | ||
| 26 | N | 56.9 | Low | 63.1 | Low | 125 Ų | 125 | 122 Ų | 122 | 67% | 0.668 | 62% | 0.622 | S | S | * | * | trans | -81.4 | 61 | 172.9 | -74.1 | -21.3 | 0 | 0 | 0 | 109.2 | E24 | E24-N26 PolarHBondContact O-N 3.42Å; E24-N26 PolarHBondContact OE2-ND2 2.86Å | ||
| 27 | A | 54.4 | Low | 65.5 | Low | 83 Ų | 83 | 117.5 Ų | 117.5 | 69% | 0.686 | 61% | 0.605 | S | S | * | * | trans | -125.5 | 47.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | L25 C29 | L25-A27 PolarHBondContact O-N 2.82Å; A27-C29 PolarHBondContact O-N 3.31Å | ||
| 28 | L | 52.3 | Low | 67.5 | Low | 133 Ų | 133 | 113.9 Ų | 113.9 | 70% | 0.696 | 58% | 0.578 | S | S | * | * | trans | -67.8 | 116.7 | 159.6 | -105.2 | 121.8 | 0 | 0 | 0 | 106.4 | S30 | L28-S30 PolarHBondContact O-N 2.92Š| ||
| 29 | C | 58.2 | Low | 69.8 | Low | 134 Ų | 134 | 112.2 Ų | 112.2 | 91% | 0.905 | 57% | 0.568 | S | S | * | * | trans | -65.4 | 66.3 | 163.9 | -162.3 | 0 | 0 | 0 | 0 | 108 | A27 | A27-C29 PolarHBondContact O-N 3.31Š| ||
| 30 | S | 70.5 | Confident | 71.6 | Confident | 85 Ų | 85 | 114.3 Ų | 114.3 | 59% | 0.594 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 129.5 | -174.8 | -89.3 | 0 | 0 | 0 | 0 | 109.2 | L28 | L28-S30 PolarHBondContact O-N 2.92Š|
| 31 | Y | 80.5 | Confident | 74.1 | Confident | 130 Ų | 130 | 110.1 Ų | 110.1 | 51% | 0.51 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -61 | 144.7 | 166.5 | -66.4 | -77.9 | 0 | 0 | 0 | 110 | V35 | Y31-V35 HydrophobicContact CD1-CG1 4Å; Y31-V35 HydrophobicContact CG-CG1 4.45Å |
| 32 | H | 89.5 | Confident | 76.3 | Confident | 78 Ų | 78 | 103.8 Ų | 103.8 | 36% | 0.361 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 143.8 | 172.7 | -169.6 | -97.2 | 0 | 0 | 0 | 109.8 | K34 V35 V36 C126 | H32-K34 PolarHBondContact ND1-N 3.34Å; H32-K34 PolarHBondContact O-N 3.41Å; H32-V35 HydrophobicContact CB-CG2 4.34Å; H32-V35 WeakPolarHBondContact O-CA 2.81Å; H32-V35 WeakPolarHBondContact O-CB 3.46Å; H32-V35 PolarHBondContact O-N 3.32Å; H32-V36 PolarHBondContact O-N 3.07Å; H32-V36 VanDerWaalsContact O-N 3.14Å; H32-C126 HydrophobicContact CB-CB 4.39Å |
| 33 | K | 91.2 | Very high | 78.4 | Confident | 183 Ų | 183 | 96.3 Ų | 96.3 | 80% | 0.796 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -52.3 | -37.2 | -175.4 | -65.9 | -178 | 179.7 | -179.7 | 0 | 113 | V36 D37 | K33-V36 PolarHBondContact O-N 3.32Å; K33-D37 WeakPolarHBondContact O-CB 3.37Å; K33-D37 PolarHBondContact O-N 3.15Å |
| 34 | K | 91.1 | Very high | 80.6 | Confident | 77 Ų | 77 | 93.7 Ų | 93.7 | 34% | 0.335 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 176 | -64.8 | -179.7 | 176.8 | -172.6 | 0 | 113 | H32 V36 D37 H38 E124 L125 | H32-K34 PolarHBondContact ND1-N 3.34Å; H32-K34 PolarHBondContact O-N 3.41Å; K34-V36 VanDerWaalsContact C-N 3.34Å; K34-D37 PolarHBondContact O-N 3.07Å; K34-H38 PolarHBondContact O-CD2 3.26Å; K34-H38 VanDerWaalsContact O-CD2 3.26Å; K34-H38 PolarHBondContact O-N 2.87Å; K34-H38 VanDerWaalsContact O-N 3.1Å; K34-E124 WeakPolarHBondContact CD-O 3.48Å; K34-E124 PolarHBondContact NZ-O 3.01Å; K34-E124 IonicContact NZ-OE1 3.36Å; K34-E124 PolarHBondContact NZ-OE1 2.97Å; K34-E124 IonicContact NZ-OE2 2.82Å; K34-L125 HydrophobicContact CB-CD2 4.22Å |
| 35 | V | 93.3 | Very high | 82.5 | Confident | 4 Ų | 4 | 90.1 Ų | 90.1 | 2% | 0.024 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 177 | 174.3 | 0 | 0 | 0 | 0 | 110 | Y31 H32 H38 Y39 A96 L125 L127 | Y31-V35 HydrophobicContact CD1-CG1 4Å; Y31-V35 HydrophobicContact CG-CG1 4.45Å; H32-V35 HydrophobicContact CB-CG2 4.34Å; H32-V35 WeakPolarHBondContact O-CA 2.81Å; H32-V35 WeakPolarHBondContact O-CB 3.46Å; H32-V35 PolarHBondContact O-N 3.32Å; V35-H38 PolarHBondContact O-N 3.03Å; V35-Y39 VanDerWaalsContact O-CB 3.28Å; V35-Y39 WeakPolarHBondContact O-CB 3.35Å; V35-Y39 PolarHBondContact O-N 3.09Å; V35-A96 HydrophobicContact CB-CB 4.24Å; V35-A96 HydrophobicContact CG1-CB 3.82Å; V35-A96 HydrophobicContact CG2-CB 4.46Å; V35-L125 HydrophobicContact CG2-CB 4Å; V35-L125 HydrophobicContact CG2-CD2 4.25Å; V35-L127 HydrophobicContact CG2-CD2 3.91Å |
| 36 | V | 93.2 | Very high | 84.6 | Confident | 47 Ų | 47 | 84.7 Ų | 84.7 | 29% | 0.285 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 177.4 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | H32 K33 K34 H38 Y39 E40 | H32-V36 PolarHBondContact O-N 3.07Å; H32-V36 VanDerWaalsContact O-N 3.14Å; K33-V36 PolarHBondContact O-N 3.32Å; K34-V36 VanDerWaalsContact C-N 3.34Å; V36-H38 PolarHBondContact O-N 3.25Å; V36-Y39 WeakPolarHBondContact O-CB 3.36Å; V36-Y39 PolarHBondContact O-N 3.28Å; V36-E40 HydrophobicContact CG1-CG 4.13Å; V36-E40 PolarHBondContact O-N 3.02Å |
| 37 | D | 94.7 | Very high | 86.4 | Confident | 62 Ų | 62 | 81.4 Ų | 81.4 | 33% | 0.332 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 179.6 | 174 | 68.5 | 0 | 0 | 0 | 112.7 | K33 K34 Y39 N41 R43 | K33-D37 WeakPolarHBondContact O-CB 3.37Å; K33-D37 PolarHBondContact O-N 3.15Å; K34-D37 PolarHBondContact O-N 3.07Å; D37-Y39 VanDerWaalsContact C-N 3.26Å; D37-Y39 PolarHBondContact O-N 2.81Å; D37-N41 PolarHBondContact O-N 3.2Å; D37-R43 VanDerWaalsContact C-NH1 3.34Å; D37-R43 VanDerWaalsContact CG-NH2 3.25Å; D37-R43 PolarHBondContact O-NH1 2.81Å; D37-R43 IonicContact OD1-CZ 3.16Å; D37-R43 IonicContact OD1-NH1 3.87Å; D37-R43 IonicContact OD1-NH2 2.75Å; D37-R43 PolarHBondContact OD1-NH2 3.5Å; D37-R43 IonicContact OD2-CZ 3.98Å; D37-R43 IonicContact OD2-NH1 2.61Å; D37-R43 PolarHBondContact OD2-NH1 3.26Å; D37-R43 IonicContact OD2-NH2 3.89Å; D37-R43 PolarHBondContact OD2-NH2 3.07Å |
| 38 | H | 95.1 | Very high | 88.3 | Confident | 18 Ų | 18 | 78.4 Ų | 78.4 | 8% | 0.083 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -70.4 | -21 | 174.6 | -74.7 | -80 | 0 | 0 | 0 | 114 | K34 V35 V36 P42 A96 S99 E103 | K34-H38 PolarHBondContact O-CD2 3.26Å; K34-H38 VanDerWaalsContact O-CD2 3.26Å; K34-H38 PolarHBondContact O-N 2.87Å; K34-H38 VanDerWaalsContact O-N 3.1Å; V35-H38 PolarHBondContact O-N 3.03Å; V36-H38 PolarHBondContact O-N 3.25Å; H38-P42 VanDerWaalsContact O-CA 3.23Å; H38-P42 WeakPolarHBondContact O-CA 3.37Å; H38-P42 WeakPolarHBondContact O-CB 3.21Å; H38-A96 HydrophobicContact CB-CB 3.77Å; H38-S99 PolarHBondContact ND1-OG 3.48Å; H38-E103 IonicContact CE1-OE2 3.94Å; H38-E103 PolarHBondContact CE1-OE2 2.89Å |
| 39 | Y | 93.8 | Very high | 90.3 | Very high | 127 Ų | 127 | 75.9 Ų | 75.9 | 50% | 0.498 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -80 | -45.8 | 175.8 | 175.9 | -104.2 | 0 | 0 | 0 | 112.2 | V35 V36 D37 I95 | V35-Y39 VanDerWaalsContact O-CB 3.28Å; V35-Y39 WeakPolarHBondContact O-CB 3.35Å; V35-Y39 PolarHBondContact O-N 3.09Å; V36-Y39 WeakPolarHBondContact O-CB 3.36Å; V36-Y39 PolarHBondContact O-N 3.28Å; D37-Y39 VanDerWaalsContact C-N 3.26Å; D37-Y39 PolarHBondContact O-N 2.81Å; Y39-I95 HydrophobicContact CD2-CB 4.19Å; Y39-I95 HydrophobicContact CD2-CD1 3.77Å; Y39-I95 HydrophobicContact CD2-CG2 4.23Å; Y39-I95 HydrophobicContact CE2-CD1 3.58Å |
| 40 | E | 93.8 | Very high | 91.8 | Very high | 132 Ų | 132 | 75 Ų | 75 | 62% | 0.617 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -74.4 | -39.5 | 179.7 | -69.1 | -178 | 171.1 | 0 | 0 | 111.8 | V36 P42 | V36-E40 HydrophobicContact CG1-CG 4.13Å; V36-E40 PolarHBondContact O-N 3.02Å; E40-P42 VanDerWaalsContact C-CD 3.42Å; E40-P42 WeakPolarHBondContact O-CD 3.21Å |
| 41 | N | 94.7 | Very high | 92.6 | Very high | 93 Ų | 93 | 78 Ų | 78 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -121.1 | 68.2 | 179.8 | -60.2 | -67 | 0 | 0 | 0 | 110.4 | D37 R43 | D37-N41 PolarHBondContact O-N 3.2Å; N41-R43 WeakPolarHBondContact O-CD 3.45Å; N41-R43 PolarHBondContact O-N 2.89Å; N41-R43 PolarHBondContact O-NE 3.32Å; N41-R43 VanDerWaalsContact O-NE 3.12Å; N41-R43 PolarHBondContact O-NH1 3.45Å |
| 42 | P | 92.9 | Very high | 93.2 | Very high | 50 Ų | 50 | 76.8 Ų | 76.8 | 33% | 0.325 | 38% | 0.382 | S | S | . | . | trans | -67.8 | 127.8 | -179.2 | 28.9 | -34.8 | 0 | 0 | 0 | 110.7 | H38 E40 V45 F86 I95 | H38-P42 VanDerWaalsContact O-CA 3.23Å; H38-P42 WeakPolarHBondContact O-CA 3.37Å; H38-P42 WeakPolarHBondContact O-CB 3.21Å; E40-P42 VanDerWaalsContact C-CD 3.42Å; E40-P42 WeakPolarHBondContact O-CD 3.21Å; P42-V45 HydrophobicContact CB-CG2 3.56Å; P42-V45 HydrophobicContact CG-CG2 3.65Å; P42-F86 HydrophobicContact CB-CZ 4.1Å; P42-I95 HydrophobicContact CB-CG2 4.45Å | ||
| 43 | R | 94.3 | Very high | 93.2 | Very high | 70 Ų | 70 | 79.9 Ų | 79.9 | 26% | 0.264 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 141.4 | -179.5 | -66.2 | 88.9 | -175.5 | 169.4 | -12 | 110.2 | D37 N41 V45 F86 S99 E103 | D37-R43 VanDerWaalsContact C-NH1 3.34Å; D37-R43 VanDerWaalsContact CG-NH2 3.25Å; D37-R43 PolarHBondContact O-NH1 2.81Å; D37-R43 IonicContact OD1-CZ 3.16Å; D37-R43 IonicContact OD1-NH1 3.87Å; D37-R43 IonicContact OD1-NH2 2.75Å; D37-R43 PolarHBondContact OD1-NH2 3.5Å; D37-R43 IonicContact OD2-CZ 3.98Å; D37-R43 IonicContact OD2-NH1 2.61Å; D37-R43 PolarHBondContact OD2-NH1 3.26Å; D37-R43 IonicContact OD2-NH2 3.89Å; D37-R43 PolarHBondContact OD2-NH2 3.07Å; N41-R43 WeakPolarHBondContact O-CD 3.45Å; N41-R43 PolarHBondContact O-N 2.89Å; N41-R43 PolarHBondContact O-NE 3.32Å; N41-R43 VanDerWaalsContact O-NE 3.12Å; N41-R43 PolarHBondContact O-NH1 3.45Å; R43-V45 PolarHBondContact O-N 3.29Å; R43-F86 WeakPolarHBondContact O-CE1 3.23Å; R43-S99 PolarHBondContact N-OG 3.1Å; R43-S99 PolarHBondContact O-OG 3.4Å; R43-E103 HydrophobicContact CB-CG 4.14Å; R43-E103 VanDerWaalsContact CB-OE1 3.23Å; R43-E103 WeakPolarHBondContact CB-OE1 3.27Å; R43-E103 WeakPolarHBondContact CD-OE1 3.36Å; R43-E103 WeakPolarHBondContact CG-OE1 3.39Å; R43-E103 IonicContact NE-OE1 3.04Å |
| 44 | N | 94.8 | Very high | 93.3 | Very high | 45 Ų | 45 | 74 Ų | 74 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 28.3 | 177 | -57.8 | 83.5 | 0 | 0 | 0 | 115.3 | G46 A84 K85 F86 | N44-G46 PolarHBondContact O-N 2.87Å; N44-A84 WeakPolarHBondContact CB-O 3.44Å; N44-A84 PolarHBondContact ND2-O 2.77Å; N44-K85 VanDerWaalsContact O-CA 3.24Å; N44-K85 WeakPolarHBondContact O-CA 3.04Å; N44-F86 PolarHBondContact O-N 2.83Å |
| 45 | V | 95.8 | Very high | 93.5 | Very high | 86 Ų | 86 | 70.4 Ų | 70.4 | 52% | 0.521 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -67.2 | 130.4 | 171.3 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | P42 R43 F86 | P42-V45 HydrophobicContact CB-CG2 3.56Å; P42-V45 HydrophobicContact CG-CG2 3.65Å; R43-V45 PolarHBondContact O-N 3.29Å; V45-F86 HydrophobicContact CG2-CE1 3.79Å; V45-F86 HydrophobicContact CG2-CZ 3.9Å |
| 46 | G | 95.4 | Very high | 93.7 | Very high | 16 Ų | 16 | 70.2 Ų | 70.2 | 17% | 0.165 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 154.3 | -160.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | N44 F86 K87 | N44-G46 PolarHBondContact O-N 2.87Å; G46-F86 PolarHBondContact N-O 2.81Å; G46-F86 CarbonylContact O-C 3.56Å; G46-K87 WeakPolarHBondContact O-CG 3.24Å |
| 47 | S | 95.3 | Very high | 93.8 | Very high | 56 Ų | 56 | 69.1 Ų | 69.1 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | trans | -142.6 | 152.5 | 176.8 | 45.1 | 0 | 0 | 0 | 0 | 111 | Q72 K87 | S47-Q72 VanDerWaalsContact CA-OE1 3.29Å; S47-Q72 VanDerWaalsContact CB-OE1 3.27Å; S47-K87 PolarHBondContact OG-NZ 3.41Å | ||
| 48 | L | 94.8 | Very high | 93.9 | Very high | 21 Ų | 21 | 66.2 Ų | 66.2 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | trans | -108.1 | 160.8 | 172.9 | -62.6 | 172.3 | 0 | 0 | 0 | 109.6 | K50 V55 Q72 Q74 K85 | L48-K50 PolarHBondContact O-N 2.91Å; L48-V55 HydrophobicContact CB-CG1 3.94Å; L48-V55 HydrophobicContact CB-CG2 4.4Å; L48-V55 HydrophobicContact CD1-CG1 4.39Å; L48-Q72 HydrophobicContact CB-CB 4.16Å; L48-Q72 HydrophobicContact CD1-CB 4.08Å; L48-Q72 HydrophobicContact CG-CB 4.33Å; L48-Q72 PolarHBondContact O-NE2 2.95Å; L48-Q72 PolarHBondContact O-OE1 2.98Å; L48-Q74 HydrophobicContact CD1-CB 3.99Å; L48-K85 HydrophobicContact CD2-CD 3.85Å; L48-K85 HydrophobicContact CD2-CG 4.17Å; L48-K85 HydrophobicContact CG-CB 4.28Å; L48-K85 HydrophobicContact CG-CD 4.07Å; L48-K85 HydrophobicContact CG-CG 4.07Å | ||
| 49 | D | 93.5 | Very high | 93.9 | Very high | 79 Ų | 79 | 71.1 Ų | 71.1 | 42% | 0.422 | 36% | 0.359 | S | S | . | . | trans | -69.1 | 118.7 | 176.5 | -175.1 | -0.4 | 0 | 0 | 0 | 110.4 | N51 K52 V55 | D49-N51 VanDerWaalsContact C-N 3.25Å; D49-N51 PolarHBondContact O-N 2.77Å; D49-N51 WeakPolarHBondContact OD1-CB 3.48Å; D49-N51 PolarHBondContact OD1-N 2.82Å; D49-N51 PolarHBondContact OD1-ND2 2.76Å; D49-K52 HydrophobicContact CB-CD 4.06Å; D49-K52 HydrophobicContact CB-CG 4.01Å; D49-V55 WeakPolarHBondContact O-CB 3.34Å; D49-V55 WeakPolarHBondContact O-CG1 3.3Å | ||
| 50 | K | 89.1 | Confident | 94 | Very high | 117 Ų | 117 | 66.2 Ų | 66.2 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -24.1 | -176.8 | -64.5 | 179.7 | 179.5 | -175.3 | 0 | 112.8 | L48 K52 K70 K152 | L48-K50 PolarHBondContact O-N 2.91Å; K50-K52 VanDerWaalsContact C-N 3.29Å; K50-K70 VanDerWaalsContact CE-NZ 3.28Å; K50-K152 PolarHBondContact O-NZ 2.95Å |
| 51 | N | 88.5 | Confident | 94 | Very high | 148 Ų | 148 | 62.2 Ų | 62.2 | 79% | 0.791 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -15.5 | -175.2 | -59.7 | -35.3 | 0 | 0 | 0 | 112.2 | D49 K53 | D49-N51 VanDerWaalsContact C-N 3.25Å; D49-N51 PolarHBondContact O-N 2.77Å; D49-N51 WeakPolarHBondContact OD1-CB 3.48Å; D49-N51 PolarHBondContact OD1-N 2.82Å; D49-N51 PolarHBondContact OD1-ND2 2.76Å; N51-K53 PolarHBondContact O-N 2.86Å |
| 52 | K | 92.2 | Very high | 93.7 | Very high | 104 Ų | 104 | 59.8 Ų | 59.8 | 45% | 0.452 | 33% | 0.33 | S | S | . | . | trans | -69.7 | 131.2 | 176.3 | -69.6 | -176 | -179 | -175.3 | 0 | 110.1 | D49 K50 N54 V55 | D49-K52 HydrophobicContact CB-CD 4.06Å; D49-K52 HydrophobicContact CB-CG 4.01Å; K50-K52 VanDerWaalsContact C-N 3.29Å; K52-N54 PolarHBondContact O-N 3.32Å; K52-V55 HydrophobicContact CB-CB 4.14Å; K52-V55 HydrophobicContact CB-CG2 3.71Å; K52-V55 HydrophobicContact CD-CG2 4.29Å; K52-V55 PolarHBondContact O-N 3.18Å; K52-V55 VanDerWaalsContact O-N 3.07Å | ||
| 53 | K | 89.9 | Confident | 93.4 | Very high | 142 Ų | 142 | 62.8 Ų | 62.8 | 62% | 0.617 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -32.9 | 177.5 | -60.9 | -174.3 | 178.3 | -172.7 | 0 | 112.8 | N51 V55 Q153 | N51-K53 PolarHBondContact O-N 2.86Å; K53-V55 PolarHBondContact O-N 3.38Å; K53-Q153 PolarHBondContact O-NE2 3.1Å; K53-Q153 VanDerWaalsContact O-NE2 3.15Å |
| 54 | N | 93.8 | Very high | 93.1 | Very high | 61 Ų | 61 | 64.4 Ų | 64.4 | 33% | 0.326 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 1.7 | -178.9 | -66.7 | 15.1 | 0 | 0 | 0 | 112.8 | K52 Q74 V75 | K52-N54 PolarHBondContact O-N 3.32Å; N54-Q74 WeakPolarHBondContact O-CA 3.48Å; N54-V75 WeakPolarHBondContact CB-O 3.33Å; N54-V75 PolarHBondContact O-N 2.76Å |
| 55 | V | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118.4 | -177.6 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | L48 D49 K52 K53 Q72 I73 Q74 K152 | L48-V55 HydrophobicContact CB-CG1 3.94Å; L48-V55 HydrophobicContact CB-CG2 4.4Å; L48-V55 HydrophobicContact CD1-CG1 4.39Å; D49-V55 WeakPolarHBondContact O-CB 3.34Å; D49-V55 WeakPolarHBondContact O-CG1 3.3Å; K52-V55 HydrophobicContact CB-CB 4.14Å; K52-V55 HydrophobicContact CB-CG2 3.71Å; K52-V55 HydrophobicContact CD-CG2 4.29Å; K52-V55 PolarHBondContact O-N 3.18Å; K52-V55 VanDerWaalsContact O-N 3.07Å; K53-V55 PolarHBondContact O-N 3.38Å; V55-Q72 HydrophobicContact CG1-CB 4.48Å; V55-I73 CarbonylContact C-O 3.57Å; V55-I73 WeakPolarHBondContact CA-O 3.39Å; V55-Q74 HydrophobicContact CG2-CB 4.19Å; V55-Q74 HydrophobicContact CG2-CG 4.17Å; V55-K152 PolarHBondContact O-NZ 2.81Å |
| 56 | G | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 136.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q72 I73 A145 D148 | G56-Q72 CarbonylContact O-C 3.52Å; G56-Q72 VanDerWaalsContact O-CA 3.26Å; G56-Q72 WeakPolarHBondContact O-CA 3.46Å; G56-I73 PolarHBondContact N-O 3.43Å; G56-I73 PolarHBondContact O-N 3.2Å; G56-A145 WeakPolarHBondContact CA-O 3.48Å; G56-D148 WeakPolarHBondContact CA-OD2 3.3Å |
| 57 | T | 96.6 | Very high | 91.7 | Very high | 25 Ų | 25 | 64.7 Ų | 64.7 | 15% | 0.153 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 115.6 | 178.1 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | K70 Q72 D148 | T57-K70 HydrophobicContact CG2-CG 4.43Å; T57-Q72 HydrophobicContact CG2-CG 3.95Å; T57-Q72 PolarHBondContact OG1-NE2 2.84Å; T57-D148 PolarHBondContact N-OD2 3.4Å; T57-D148 WeakPolarHBondContact O-CB 3.42Å |
| 58 | G | 96.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 125.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | K70 L71 | G58-K70 CarbonylContact O-C 3.56Å; G58-K70 WeakPolarHBondContact O-CA 3.26Å; G58-L71 PolarHBondContact N-O 2.94Å; G58-L71 PolarHBondContact O-N 3.04Å |
| 59 | L | 95.6 | Very high | 91.7 | Very high | 121 Ų | 121 | 62.8 Ų | 62.8 | 63% | 0.634 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 117.7 | 167.8 | -178.6 | 70 | 0 | 0 | 0 | 107.5 | V68 K70 | L59-V68 HydrophobicContact CD1-CG1 4.01Å; L59-K70 HydrophobicContact CD1-CB 3.81Å; L59-K70 HydrophobicContact CD1-CG 4.2Å |
| 60 | V | 95.4 | Very high | 91.8 | Very high | 24 Ų | 24 | 60.9 Ų | 60.9 | 15% | 0.145 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 160.4 | -176.7 | -63.4 | 0 | 0 | 0 | 0 | 110.6 | M69 L137 D140 A141 A144 | V60-M69 HydrophobicContact CG2-CB 4.11Å; V60-M69 PolarHBondContact N-O 2.75Å; V60-M69 PolarHBondContact O-N 3.07Å; V60-L137 HydrophobicContact CB-CD1 4.19Å; V60-L137 HydrophobicContact CG2-CD1 3.65Å; V60-L137 HydrophobicContact CG2-CG 4.2Å; V60-D140 HydrophobicContact CG1-CB 4.37Å; V60-A141 HydrophobicContact CG2-CB 3.53Å; V60-A144 HydrophobicContact CG1-CB 3.8Å |
| 61 | G | 92.4 | Very high | 92.2 | Very high | 48 Ų | 48 | 55.3 Ų | 55.3 | 50% | 0.495 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 94.9 | 171.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | D67 | G61-D67 CarbonylContact C-O 3.54Å; G61-D67 WeakPolarHBondContact CA-O 3.37Å |
| 62 | A | 88.7 | Confident | 92.6 | Very high | 42 Ų | 42 | 48.3 Ų | 48.3 | 35% | 0.347 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 131.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | A64 C65 G66 D67 | A62-A64 PolarHBondContact O-N 2.97Å; A62-A64 VanDerWaalsContact O-N 3.11Å; A62-C65 PolarHBondContact O-N 3.15Å; A62-G66 PolarHBondContact O-N 3.4Å; A62-D67 PolarHBondContact N-O 3.12Å; A62-D67 VanDerWaalsContact N-O 3.08Å |
| 63 | P | 86.8 | Confident | 92.8 | Very high | 112 Ų | 112 | 43.5 Ų | 43.5 | 73% | 0.727 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -55.6 | -31.8 | 177.6 | -26.5 | 34 | 0 | 0 | 0 | 113.5 | C65 G66 V68 | P63-C65 VanDerWaalsContact C-N 3.26Å; P63-C65 PolarHBondContact O-N 2.99Å; P63-G66 PolarHBondContact O-N 2.97Å; P63-G66 VanDerWaalsContact O-N 3.14Å; P63-V68 HydrophobicContact CG-CG2 4.1Å |
| 64 | A | 87.5 | Confident | 93.1 | Very high | 104 Ų | 104 | 39 Ų | 39 | 86% | 0.86 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -63.7 | -29.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A62 | A62-A64 PolarHBondContact O-N 2.97Å; A62-A64 VanDerWaalsContact O-N 3.11Å |
| 65 | C | 80.1 | Confident | 93.2 | Very high | 103 Ų | 103 | 36.1 Ų | 36.1 | 70% | 0.696 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -87.6 | -8.1 | 177.9 | -61.5 | 0 | 0 | 0 | 0 | 112.7 | A62 P63 D67 | A62-C65 PolarHBondContact O-N 3.15Å; P63-C65 VanDerWaalsContact C-N 3.26Å; P63-C65 PolarHBondContact O-N 2.99Å; C65-D67 PolarHBondContact O-N 3.38Å |
| 66 | G | 86.3 | Confident | 93.1 | Very high | 29 Ų | 29 | 39 Ų | 39 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -1.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | A62 P63 F89 G90 | A62-G66 PolarHBondContact O-N 3.4Å; P63-G66 PolarHBondContact O-N 2.97Å; P63-G66 VanDerWaalsContact O-N 3.14Å; G66-F89 WeakPolarHBondContact O-CD1 3.35Å; G66-F89 WeakPolarHBondContact O-CE1 3.41Å; G66-G90 WeakPolarHBondContact O-CA 3.43Å |
| 67 | D | 91.2 | Very high | 92.8 | Very high | 22 Ų | 22 | 47.7 Ų | 47.7 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.5 | 178.4 | -66.4 | -35.6 | 0 | 0 | 0 | 111 | G61 A62 C65 F89 G90 C91 H133 L137 | G61-D67 CarbonylContact C-O 3.54Å; G61-D67 WeakPolarHBondContact CA-O 3.37Å; A62-D67 PolarHBondContact N-O 3.12Å; A62-D67 VanDerWaalsContact N-O 3.08Å; C65-D67 PolarHBondContact O-N 3.38Å; D67-F89 CarbonylContact C-O 3.52Å; D67-F89 VanDerWaalsContact CA-O 3.29Å; D67-F89 WeakPolarHBondContact CA-O 3.4Å; D67-G90 WeakPolarHBondContact OD1-CA 3.47Å; D67-C91 PolarHBondContact OD1-N 3.43Å; D67-H133 IonicContact OD2-CD2 2.97Å; D67-H133 PolarHBondContact OD2-CD2 3.35Å; D67-H133 VanDerWaalsContact OD2-CD2 3.28Å; D67-H133 IonicContact OD2-NE2 3.47Å; D67-H133 PolarHBondContact OD2-NE2 3.36Å; D67-L137 HydrophobicContact CB-CD2 3.9Å |
| 68 | V | 94.4 | Very high | 92.4 | Very high | 35 Ų | 35 | 52.8 Ų | 52.8 | 21% | 0.212 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 122.2 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | L59 P63 T88 F89 | L59-V68 HydrophobicContact CD1-CG1 4.01Å; P63-V68 HydrophobicContact CG-CG2 4.1Å; V68-T88 CarbonylContact O-C 3.53Å; V68-T88 WeakPolarHBondContact O-CA 3.17Å; V68-T88 PolarHBondContact O-OG1 3.18Å; V68-F89 PolarHBondContact N-O 2.93Å; V68-F89 PolarHBondContact O-N 3.35Å |
| 69 | M | 95.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.7 | -178.3 | 180 | 176.3 | 170.6 | 0 | 0 | 110.7 | V60 L71 S98 L137 A138 A141 | V60-M69 HydrophobicContact CG2-CB 4.11Å; V60-M69 PolarHBondContact N-O 2.75Å; V60-M69 PolarHBondContact O-N 3.07Å; M69-L71 HydrophobicContact CE-CB 3.97Å; M69-L71 HydrophobicContact CE-CD1 3.47Å; M69-L71 VanDerWaalsContact CE-CD1 3.47Å; M69-L71 HydrophobicContact CE-CG 4.33Å; M69-S98 WeakPolarHBondContact CE-OG 3.25Å; M69-S98 PolarHBondContact SD-OG 3.41Å; M69-L137 HydrophobicContact CB-CD2 3.92Å; M69-L137 HydrophobicContact CB-CG 4.05Å; M69-A138 HydrophobicContact SD-CB 4.39Å; M69-A141 HydrophobicContact CE-CB 3.6Å; M69-A141 HydrophobicContact CG-CB 4.02Å; M69-A141 HydrophobicContact SD-CB 3.61Å |
| 70 | K | 96.1 | Very high | 92.1 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 17% | 0.17 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 117.3 | 169.2 | -171 | -172 | 176.9 | -147.6 | 0 | 109.2 | K50 T57 G58 L59 F86 K87 | K50-K70 VanDerWaalsContact CE-NZ 3.28Å; T57-K70 HydrophobicContact CG2-CG 4.43Å; G58-K70 CarbonylContact O-C 3.56Å; G58-K70 WeakPolarHBondContact O-CA 3.26Å; L59-K70 HydrophobicContact CD1-CB 3.81Å; L59-K70 HydrophobicContact CD1-CG 4.2Å; K70-F86 CarbonylContact O-C 3.55Å; K70-F86 VanDerWaalsContact O-CA 3.25Å; K70-F86 WeakPolarHBondContact O-CA 3.23Å; K70-K87 WeakPolarHBondContact CA-O 3.4Å; K70-K87 PolarHBondContact N-O 3.36Å; K70-K87 PolarHBondContact O-N 2.71Å; K70-K87 VanDerWaalsContact O-O 3.12Å |
| 71 | L | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.2 | 175.9 | -174.1 | 144.8 | 0 | 0 | 0 | 109.5 | G58 M69 I73 T102 A141 I142 A145 | G58-L71 PolarHBondContact N-O 2.94Å; G58-L71 PolarHBondContact O-N 3.04Å; M69-L71 HydrophobicContact CE-CB 3.97Å; M69-L71 HydrophobicContact CE-CD1 3.47Å; M69-L71 VanDerWaalsContact CE-CD1 3.47Å; M69-L71 HydrophobicContact CE-CG 4.33Å; L71-I73 HydrophobicContact CD2-CG2 3.6Å; L71-T102 HydrophobicContact CD1-CG2 3.92Å; L71-T102 HydrophobicContact CG-CG2 4.36Å; L71-A141 HydrophobicContact CB-CB 4.02Å; L71-I142 HydrophobicContact CD1-CG1 4.19Å; L71-A145 HydrophobicContact CD2-CB 3.61Å |
| 72 | Q | 97.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.009 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.8 | 178.3 | -60.6 | -175.1 | -82.3 | 0 | 0 | 109 | S47 L48 V55 G56 T57 A84 K85 | S47-Q72 VanDerWaalsContact CA-OE1 3.29Å; S47-Q72 VanDerWaalsContact CB-OE1 3.27Å; L48-Q72 HydrophobicContact CB-CB 4.16Å; L48-Q72 HydrophobicContact CD1-CB 4.08Å; L48-Q72 HydrophobicContact CG-CB 4.33Å; L48-Q72 PolarHBondContact O-NE2 2.95Å; L48-Q72 PolarHBondContact O-OE1 2.98Å; V55-Q72 HydrophobicContact CG1-CB 4.48Å; G56-Q72 CarbonylContact O-C 3.52Å; G56-Q72 VanDerWaalsContact O-CA 3.26Å; G56-Q72 WeakPolarHBondContact O-CA 3.46Å; T57-Q72 HydrophobicContact CG2-CG 3.95Å; T57-Q72 PolarHBondContact OG1-NE2 2.84Å; Q72-A84 CarbonylContact O-C 3.59Å; Q72-A84 VanDerWaalsContact O-CA 3.3Å; Q72-A84 WeakPolarHBondContact O-CA 3.15Å; Q72-K85 PolarHBondContact N-O 2.87Å; Q72-K85 PolarHBondContact O-N 2.89Å |
| 73 | I | 96.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 142.9 | 177.1 | 58.8 | 179.5 | 0 | 0 | 0 | 109.3 | V55 G56 L71 V75 I81 E83 A84 V105 A145 L146 | V55-I73 CarbonylContact C-O 3.57Å; V55-I73 WeakPolarHBondContact CA-O 3.39Å; G56-I73 PolarHBondContact N-O 3.43Å; G56-I73 PolarHBondContact O-N 3.2Å; L71-I73 HydrophobicContact CD2-CG2 3.6Å; I73-V75 HydrophobicContact CD1-CG2 4.45Å; I73-I81 HydrophobicContact CB-CG2 4.14Å; I73-I81 HydrophobicContact CD1-CD1 4.43Å; I73-I81 HydrophobicContact CG2-CG2 4.29Å; I73-E83 CarbonylContact C-O 3.55Å; I73-E83 WeakPolarHBondContact CA-O 3.34Å; I73-A84 HydrophobicContact CG2-CB 4.18Å; I73-V105 HydrophobicContact CG2-CG2 4.37Å; I73-A145 HydrophobicContact CD1-CB 4.17Å; I73-A145 HydrophobicContact CG1-CB 4.17Å; I73-L146 HydrophobicContact CD1-CD2 3.27Å; I73-L146 HydrophobicContact CD1-CG 3.81Å |
| 74 | Q | 96.2 | Very high | 93 | Very high | 48 Ų | 48 | 49.6 Ų | 49.6 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 125.7 | 169.4 | -175.4 | 172.6 | -27.4 | 0 | 0 | 108.8 | L48 N54 V55 I81 V82 E83 | L48-Q74 HydrophobicContact CD1-CB 3.99Å; N54-Q74 WeakPolarHBondContact O-CA 3.48Å; V55-Q74 HydrophobicContact CG2-CB 4.19Å; V55-Q74 HydrophobicContact CG2-CG 4.17Å; Q74-I81 CarbonylContact O-C 3.55Å; Q74-I81 WeakPolarHBondContact O-CA 3.45Å; Q74-V82 HydrophobicContact CB-CG2 4.06Å; Q74-V82 HydrophobicContact CG-CG2 3.81Å; Q74-V82 WeakPolarHBondContact O-CG2 3.49Å; Q74-V82 PolarHBondContact O-N 3.43Å; Q74-E83 HydrophobicContact CB-CB 4.22Å; Q74-E83 PolarHBondContact N-O 3.36Å |
| 75 | V | 95.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 138 | -179.2 | -169.1 | 0 | 0 | 0 | 0 | 109.1 | N54 I73 K80 I81 V110 Y149 | N54-V75 WeakPolarHBondContact CB-O 3.33Å; N54-V75 PolarHBondContact O-N 2.76Å; I73-V75 HydrophobicContact CD1-CG2 4.45Å; V75-K80 CarbonylContact C-O 3.54Å; V75-K80 WeakPolarHBondContact CA-O 3.47Å; V75-I81 HydrophobicContact CG2-CG1 4.33Å; V75-V110 HydrophobicContact CG1-CG2 4.01Å; V75-V110 HydrophobicContact CG2-CG2 4.27Å; V75-Y149 HydrophobicContact CB-CD2 4.23Å; V75-Y149 HydrophobicContact CB-CE1 4.25Å; V75-Y149 HydrophobicContact CB-CE2 3.67Å; V75-Y149 HydrophobicContact CG1-CE1 4.13Å; V75-Y149 HydrophobicContact CG1-CE2 4.28Å; V75-Y149 HydrophobicContact CG2-CD1 4.12Å; V75-Y149 HydrophobicContact CG2-CD2 3.89Å; V75-Y149 HydrophobicContact CG2-CE1 4.08Å; V75-Y149 HydrophobicContact CG2-CE2 3.84Å; V75-Y149 HydrophobicContact CG2-CG 4.03Å |
| 76 | D | 94.3 | Very high | 94.3 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 33% | 0.326 | 22% | 0.224 | S | C | . | . | trans | -83.4 | 169.4 | 173.9 | -172.5 | 34.3 | 0 | 0 | 0 | 111.7 | N78 G79 K80 V82 | D76-N78 PolarHBondContact O-N 3.32Å; D76-N78 VanDerWaalsContact O-N 3.13Å; D76-N78 PolarHBondContact OD2-ND2 3.34Å; D76-G79 PolarHBondContact O-N 3.12Å; D76-K80 PolarHBondContact N-O 3Å; D76-V82 HydrophobicContact CB-CG1 3.7Å | ||
| 77 | E | 89.3 | Confident | 94.8 | Very high | 181 Ų | 181 | 46.2 Ų | 46.2 | 85% | 0.846 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27 | 178.3 | -60.8 | -175.9 | 173.7 | 0 | 0 | 112.7 | G79 | E77-G79 PolarHBondContact O-N 3.48Š|
| 78 | N | 88.7 | Confident | 94.9 | Very high | 133 Ų | 133 | 46.7 Ų | 46.7 | 71% | 0.711 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | 1.9 | 175.5 | -61.2 | -64.1 | 0 | 0 | 0 | 114.2 | D76 K80 | D76-N78 PolarHBondContact O-N 3.32Å; D76-N78 VanDerWaalsContact O-N 3.13Å; D76-N78 PolarHBondContact OD2-ND2 3.34Å; N78-K80 VanDerWaalsContact C-N 3.32Å; N78-K80 PolarHBondContact O-N 3.22Å |
| 79 | G | 88.6 | Confident | 94.9 | Very high | 25 Ų | 25 | 51.9 Ų | 51.9 | 26% | 0.258 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 74.7 | 17.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D76 E77 V110 | D76-G79 PolarHBondContact O-N 3.12Å; E77-G79 PolarHBondContact O-N 3.48Å; G79-V110 PolarHBondContact O-N 3.46Å |
| 80 | K | 95.4 | Very high | 94.8 | Very high | 120 Ų | 120 | 53 Ų | 53 | 52% | 0.522 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -101.9 | 142.6 | 176.3 | -68.2 | -169.1 | 179.2 | -168.6 | 0 | 111.7 | V75 D76 N78 V82 | V75-K80 CarbonylContact C-O 3.54Å; V75-K80 WeakPolarHBondContact CA-O 3.47Å; D76-K80 PolarHBondContact N-O 3Å; N78-K80 VanDerWaalsContact C-N 3.32Å; N78-K80 PolarHBondContact O-N 3.22Å; K80-V82 PolarHBondContact O-N 3.24Å |
| 81 | I | 96.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 109.7 | 177.6 | -58.9 | 169.3 | 0 | 0 | 0 | 108.7 | I73 Q74 V75 V105 G107 K108 A113 L146 | I73-I81 HydrophobicContact CB-CG2 4.14Å; I73-I81 HydrophobicContact CD1-CD1 4.43Å; I73-I81 HydrophobicContact CG2-CG2 4.29Å; Q74-I81 CarbonylContact O-C 3.55Å; Q74-I81 WeakPolarHBondContact O-CA 3.45Å; V75-I81 HydrophobicContact CG2-CG1 4.33Å; I81-V105 WeakPolarHBondContact CB-O 3.43Å; I81-V105 HydrophobicContact CD1-CB 4.1Å; I81-G107 WeakPolarHBondContact O-CA 3.35Å; I81-G107 PolarHBondContact O-N 3.21Å; I81-K108 PolarHBondContact N-O 3.47Å; I81-A113 HydrophobicContact CD1-CB 3.67Å; I81-L146 HydrophobicContact CD1-CD2 4.19Å |
| 82 | V | 95.9 | Very high | 94.3 | Very high | 69 Ų | 69 | 53.4 Ų | 53.4 | 42% | 0.418 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -35.4 | -179.3 | -73.1 | 0 | 0 | 0 | 0 | 112.5 | Q74 D76 K80 K106 | Q74-V82 HydrophobicContact CB-CG2 4.06Å; Q74-V82 HydrophobicContact CG-CG2 3.81Å; Q74-V82 WeakPolarHBondContact O-CG2 3.49Å; Q74-V82 PolarHBondContact O-N 3.43Å; D76-V82 HydrophobicContact CB-CG1 3.7Å; K80-V82 PolarHBondContact O-N 3.24Å; V82-K106 WeakPolarHBondContact O-CE 3.45Å |
| 83 | E | 95.3 | Very high | 94.1 | Very high | 65 Ų | 65 | 53.4 Ų | 53.4 | 30% | 0.304 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 141.7 | -177.8 | -163.2 | 171.4 | -167.8 | 0 | 0 | 109.8 | I73 Q74 K85 | I73-E83 CarbonylContact C-O 3.55Å; I73-E83 WeakPolarHBondContact CA-O 3.34Å; Q74-E83 HydrophobicContact CB-CB 4.22Å; Q74-E83 PolarHBondContact N-O 3.36Å; E83-K85 WeakPolarHBondContact OE1-CE 3.16Å; E83-K85 IonicContact OE1-NZ 2.67Å; E83-K85 PolarHBondContact OE1-NZ 3.4Å |
| 84 | A | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | N44 Q72 I73 T102 V105 | N44-A84 WeakPolarHBondContact CB-O 3.44Å; N44-A84 PolarHBondContact ND2-O 2.77Å; Q72-A84 CarbonylContact O-C 3.59Å; Q72-A84 VanDerWaalsContact O-CA 3.3Å; Q72-A84 WeakPolarHBondContact O-CA 3.15Å; I73-A84 HydrophobicContact CG2-CB 4.18Å; A84-T102 HydrophobicContact CB-CG2 4.2Å; A84-V105 HydrophobicContact CB-CG2 3.51Å |
| 85 | K | 97 | Very high | 93.9 | Very high | 55 Ų | 55 | 52.6 Ų | 52.6 | 24% | 0.239 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 148.1 | 173.6 | -63.3 | -165.8 | -176.7 | 177.6 | 0 | 110.2 | N44 L48 Q72 E83 | N44-K85 VanDerWaalsContact O-CA 3.24Å; N44-K85 WeakPolarHBondContact O-CA 3.04Å; L48-K85 HydrophobicContact CD2-CD 3.85Å; L48-K85 HydrophobicContact CD2-CG 4.17Å; L48-K85 HydrophobicContact CG-CB 4.28Å; L48-K85 HydrophobicContact CG-CD 4.07Å; L48-K85 HydrophobicContact CG-CG 4.07Å; Q72-K85 PolarHBondContact N-O 2.87Å; Q72-K85 PolarHBondContact O-N 2.89Å; E83-K85 WeakPolarHBondContact OE1-CE 3.16Å; E83-K85 IonicContact OE1-NZ 2.67Å; E83-K85 PolarHBondContact OE1-NZ 3.4Å |
| 86 | F | 97.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 2% | 0.022 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 157.6 | 175.6 | 82.1 | -73.4 | 0 | 0 | 0 | 112.9 | P42 R43 N44 V45 G46 K70 T88 S98 T102 | P42-F86 HydrophobicContact CB-CZ 4.1Å; R43-F86 WeakPolarHBondContact O-CE1 3.23Å; N44-F86 PolarHBondContact O-N 2.83Å; V45-F86 HydrophobicContact CG2-CE1 3.79Å; V45-F86 HydrophobicContact CG2-CZ 3.9Å; G46-F86 PolarHBondContact N-O 2.81Å; G46-F86 CarbonylContact O-C 3.56Å; K70-F86 CarbonylContact O-C 3.55Å; K70-F86 VanDerWaalsContact O-CA 3.25Å; K70-F86 WeakPolarHBondContact O-CA 3.23Å; F86-T88 HydrophobicContact CD2-CG2 3.95Å; F86-T88 HydrophobicContact CE2-CG2 3.61Å; F86-S98 VanDerWaalsContact CE2-CB 3.49Å; F86-T102 HydrophobicContact CB-CG2 3.73Å; F86-T102 HydrophobicContact CD1-CG2 3.84Å; F86-T102 HydrophobicContact CG-CG2 4.1Å |
| 87 | K | 95.9 | Very high | 94 | Very high | 106 Ų | 106 | 49.7 Ų | 49.7 | 46% | 0.461 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 130.2 | 161.2 | -66.2 | -175.2 | 177.7 | -179.1 | 0 | 106.9 | G46 S47 K70 | G46-K87 WeakPolarHBondContact O-CG 3.24Å; S47-K87 PolarHBondContact OG-NZ 3.41Å; K70-K87 WeakPolarHBondContact CA-O 3.4Å; K70-K87 PolarHBondContact N-O 3.36Å; K70-K87 PolarHBondContact O-N 2.71Å; K70-K87 VanDerWaalsContact O-O 3.12Å |
| 88 | T | 94.9 | Very high | 94.3 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 145.6 | -179.6 | -163.4 | 0 | 0 | 0 | 0 | 109.7 | V68 F86 I95 S98 | V68-T88 CarbonylContact O-C 3.53Å; V68-T88 WeakPolarHBondContact O-CA 3.17Å; V68-T88 PolarHBondContact O-OG1 3.18Å; F86-T88 HydrophobicContact CD2-CG2 3.95Å; F86-T88 HydrophobicContact CE2-CG2 3.61Å; T88-I95 HydrophobicContact CG2-CB 4.09Å; T88-I95 HydrophobicContact CG2-CG1 3.52Å; T88-S98 PolarHBondContact OG1-OG 2.86Å |
| 89 | F | 94.1 | Very high | 94.6 | Very high | 144 Ų | 144 | 34.8 Ų | 34.8 | 63% | 0.632 | 19% | 0.185 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 123.9 | 171.2 | 177.5 | -96.4 | 0 | 0 | 0 | 106.2 | G66 D67 V68 | G66-F89 WeakPolarHBondContact O-CD1 3.35Å; G66-F89 WeakPolarHBondContact O-CE1 3.41Å; D67-F89 CarbonylContact C-O 3.52Å; D67-F89 VanDerWaalsContact CA-O 3.29Å; D67-F89 WeakPolarHBondContact CA-O 3.4Å; V68-F89 PolarHBondContact N-O 2.93Å; V68-F89 PolarHBondContact O-N 3.35Å |
| 90 | G | 91.9 | Very high | 95 | Very high | 24 Ų | 24 | 33.9 Ų | 33.9 | 25% | 0.247 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 163.2 | -173.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G66 D67 | G66-G90 WeakPolarHBondContact O-CA 3.43Å; D67-G90 WeakPolarHBondContact OD1-CA 3.47Å |
| 91 | C | 92.4 | Very high | 95 | Very high | 32 Ų | 32 | 28.1 Ų | 28.1 | 22% | 0.216 | 15% | 0.149 | C | C | . | . | trans | -67.7 | 163.6 | 177.4 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | D67 S93 A94 I95 C134 | D67-C91 PolarHBondContact OD1-N 3.43Å; C91-S93 PolarHBondContact O-N 3.07Å; C91-S93 VanDerWaalsContact O-N 3.09Å; C91-A94 WeakPolarHBondContact O-CA 3.5Å; C91-A94 VanDerWaalsContact O-CB 3.3Å; C91-A94 WeakPolarHBondContact O-CB 3.46Å; C91-A94 PolarHBondContact O-N 3.03Å; C91-I95 PolarHBondContact O-N 2.93Å; C91-I95 VanDerWaalsContact O-N 3.12Å; C91-C134 VanDerWaalsContact SG-SG 3.63Å | ||
| 92 | G | 91.8 | Very high | 95 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 16% | 0.155 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.9 | -32.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I95 A96 | G92-I95 PolarHBondContact O-N 3.22Å; G92-A96 WeakPolarHBondContact O-CB 3.5Å; G92-A96 PolarHBondContact O-N 3.28Å |
| 93 | S | 92.8 | Very high | 95 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67 | -33.9 | 173.9 | -55.1 | 0 | 0 | 0 | 0 | 113.1 | C91 S97 | C91-S93 PolarHBondContact O-N 3.07Å; C91-S93 VanDerWaalsContact O-N 3.09Å; S93-S97 VanDerWaalsContact O-CB 3.31Å; S93-S97 WeakPolarHBondContact O-CB 3.38Å; S93-S97 PolarHBondContact O-N 3.35Å; S93-S97 PolarHBondContact O-OG 3Å |
| 94 | A | 93.9 | Very high | 95 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.2 | -45 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | C91 A96 S97 S98 C134 | C91-A94 WeakPolarHBondContact O-CA 3.5Å; C91-A94 VanDerWaalsContact O-CB 3.3Å; C91-A94 WeakPolarHBondContact O-CB 3.46Å; C91-A94 PolarHBondContact O-N 3.03Å; A94-A96 PolarHBondContact O-N 3.45Å; A94-S97 PolarHBondContact O-N 2.91Å; A94-S98 WeakPolarHBondContact O-CB 3.37Å; A94-S98 PolarHBondContact O-N 3.31Å; A94-S98 PolarHBondContact O-OG 2.99Å; A94-C134 HydrophobicContact CB-CB 4.38Å |
| 95 | I | 95.2 | Very high | 95 | Very high | 32 Ų | 32 | 28.2 Ų | 28.2 | 16% | 0.164 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.7 | -47.1 | 175.3 | -64.4 | 161.6 | 0 | 0 | 0 | 111.3 | Y39 P42 T88 C91 G92 S97 S98 S99 | Y39-I95 HydrophobicContact CD2-CB 4.19Å; Y39-I95 HydrophobicContact CD2-CD1 3.77Å; Y39-I95 HydrophobicContact CD2-CG2 4.23Å; Y39-I95 HydrophobicContact CE2-CD1 3.58Å; P42-I95 HydrophobicContact CB-CG2 4.45Å; T88-I95 HydrophobicContact CG2-CB 4.09Å; T88-I95 HydrophobicContact CG2-CG1 3.52Å; C91-I95 PolarHBondContact O-N 2.93Å; C91-I95 VanDerWaalsContact O-N 3.12Å; G92-I95 PolarHBondContact O-N 3.22Å; I95-S97 PolarHBondContact O-N 2.84Å; I95-S98 PolarHBondContact O-N 3.26Å; I95-S99 PolarHBondContact O-N 3.03Å |
| 96 | A | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V35 H38 G92 A94 S98 S99 L100 L125 | V35-A96 HydrophobicContact CB-CB 4.24Å; V35-A96 HydrophobicContact CG1-CB 3.82Å; V35-A96 HydrophobicContact CG2-CB 4.46Å; H38-A96 HydrophobicContact CB-CB 3.77Å; G92-A96 WeakPolarHBondContact O-CB 3.5Å; G92-A96 PolarHBondContact O-N 3.28Å; A94-A96 PolarHBondContact O-N 3.45Å; A96-S98 VanDerWaalsContact C-N 3.35Å; A96-S98 PolarHBondContact O-N 2.8Å; A96-S99 PolarHBondContact O-N 2.87Å; A96-L100 WeakPolarHBondContact O-CB 3.26Å; A96-L100 PolarHBondContact O-N 2.79Å; A96-L125 HydrophobicContact CB-CD1 4.18Å; A96-L125 HydrophobicContact CB-CD2 4.41Å |
| 97 | S | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 177.2 | -58 | 0 | 0 | 0 | 0 | 111.7 | S93 A94 I95 A101 | S93-S97 VanDerWaalsContact O-CB 3.31Å; S93-S97 WeakPolarHBondContact O-CB 3.38Å; S93-S97 PolarHBondContact O-N 3.35Å; S93-S97 PolarHBondContact O-OG 3Å; A94-S97 PolarHBondContact O-N 2.91Å; I95-S97 PolarHBondContact O-N 2.84Å; S97-A101 WeakPolarHBondContact O-CB 3.29Å; S97-A101 PolarHBondContact O-N 3.4Å |
| 98 | S | 95.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.3 | -43.5 | 177 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | M69 F86 T88 A94 I95 A96 A101 T102 | M69-S98 WeakPolarHBondContact CE-OG 3.25Å; M69-S98 PolarHBondContact SD-OG 3.41Å; F86-S98 VanDerWaalsContact CE2-CB 3.49Å; T88-S98 PolarHBondContact OG1-OG 2.86Å; A94-S98 WeakPolarHBondContact O-CB 3.37Å; A94-S98 PolarHBondContact O-N 3.31Å; A94-S98 PolarHBondContact O-OG 2.99Å; I95-S98 PolarHBondContact O-N 3.26Å; A96-S98 VanDerWaalsContact C-N 3.35Å; A96-S98 PolarHBondContact O-N 2.8Å; S98-A101 PolarHBondContact O-N 3.28Å; S98-T102 PolarHBondContact O-N 3.42Å; S98-T102 VanDerWaalsContact O-N 3.07Å; S98-T102 PolarHBondContact O-OG1 3.07Å |
| 99 | S | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -48.9 | 178.6 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | H38 R43 I95 A96 A101 T102 E103 | H38-S99 PolarHBondContact ND1-OG 3.48Å; R43-S99 PolarHBondContact N-OG 3.1Å; R43-S99 PolarHBondContact O-OG 3.4Å; I95-S99 PolarHBondContact O-N 3.03Å; A96-S99 PolarHBondContact O-N 2.87Å; S99-A101 VanDerWaalsContact C-N 3.32Å; S99-A101 PolarHBondContact O-N 2.82Å; S99-T102 PolarHBondContact O-N 3.46Å; S99-T102 PolarHBondContact O-OG1 3.47Å; S99-E103 PolarHBondContact O-N 3.26Å |
| 100 | L | 96.1 | Very high | 94.7 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 177.7 | -177.2 | 68 | 0 | 0 | 0 | 111.6 | A96 T102 E103 W104 I121 E124 L125 | A96-L100 WeakPolarHBondContact O-CB 3.26Å; A96-L100 PolarHBondContact O-N 2.79Å; L100-T102 VanDerWaalsContact C-N 3.31Å; L100-T102 PolarHBondContact O-N 2.93Å; L100-E103 PolarHBondContact O-N 3Å; L100-W104 HydrophobicContact CD1-CZ2 4.47Å; L100-W104 HydrophobicContact CD2-CZ2 4.23Å; L100-W104 HydrophobicContact CG-CD2 4.42Å; L100-W104 HydrophobicContact CG-CZ2 4.47Å; L100-W104 PolarHBondContact O-N 3.1Å; L100-I121 HydrophobicContact CD2-CG2 4.35Å; L100-E124 HydrophobicContact CD1-CG 4.3Å; L100-E124 HydrophobicContact CD2-CB 3.84Å; L100-E124 HydrophobicContact CD2-CG 3.65Å; L100-L125 HydrophobicContact CD2-CD1 4.15Å; L100-L125 HydrophobicContact CD2-CD2 4.04Å; L100-L125 HydrophobicContact CD2-CG 3.74Å |
| 101 | A | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.5 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | S97 S98 S99 E103 W104 V105 A138 I142 | S97-A101 WeakPolarHBondContact O-CB 3.29Å; S97-A101 PolarHBondContact O-N 3.4Å; S98-A101 PolarHBondContact O-N 3.28Å; S99-A101 VanDerWaalsContact C-N 3.32Å; S99-A101 PolarHBondContact O-N 2.82Å; A101-E103 VanDerWaalsContact C-N 3.35Å; A101-E103 PolarHBondContact O-N 3.27Å; A101-W104 PolarHBondContact O-N 3.37Å; A101-V105 WeakPolarHBondContact O-CG1 3.33Å; A101-V105 WeakPolarHBondContact O-CG2 3.37Å; A101-V105 PolarHBondContact O-N 2.9Å; A101-A138 HydrophobicContact CB-CB 4.2Å; A101-I142 HydrophobicContact CB-CD1 4.03Å |
| 102 | T | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.6 | -34.1 | 178.9 | 49.4 | 0 | 0 | 0 | 0 | 114.1 | L71 A84 F86 S98 S99 L100 V105 K106 | L71-T102 HydrophobicContact CD1-CG2 3.92Å; L71-T102 HydrophobicContact CG-CG2 4.36Å; A84-T102 HydrophobicContact CB-CG2 4.2Å; F86-T102 HydrophobicContact CB-CG2 3.73Å; F86-T102 HydrophobicContact CD1-CG2 3.84Å; F86-T102 HydrophobicContact CG-CG2 4.1Å; S98-T102 PolarHBondContact O-N 3.42Å; S98-T102 VanDerWaalsContact O-N 3.07Å; S98-T102 PolarHBondContact O-OG1 3.07Å; S99-T102 PolarHBondContact O-N 3.46Å; S99-T102 PolarHBondContact O-OG1 3.47Å; L100-T102 VanDerWaalsContact C-N 3.31Å; L100-T102 PolarHBondContact O-N 2.93Å; T102-V105 WeakPolarHBondContact O-CG2 3.37Å; T102-K106 PolarHBondContact O-N 2.99Å |
| 103 | E | 95.9 | Very high | 95 | Very high | 71 Ų | 71 | 30.7 Ų | 30.7 | 33% | 0.332 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -68.3 | -42.4 | 173.9 | -68.2 | -174.9 | 157.4 | 0 | 0 | 111.1 | H38 R43 S99 L100 A101 V105 K106 | H38-E103 IonicContact CE1-OE2 3.94Å; H38-E103 PolarHBondContact CE1-OE2 2.89Å; R43-E103 HydrophobicContact CB-CG 4.14Å; R43-E103 VanDerWaalsContact CB-OE1 3.23Å; R43-E103 WeakPolarHBondContact CB-OE1 3.27Å; R43-E103 WeakPolarHBondContact CD-OE1 3.36Å; R43-E103 WeakPolarHBondContact CG-OE1 3.39Å; R43-E103 IonicContact NE-OE1 3.04Å; S99-E103 PolarHBondContact O-N 3.26Å; L100-E103 PolarHBondContact O-N 3Å; A101-E103 VanDerWaalsContact C-N 3.35Å; A101-E103 PolarHBondContact O-N 3.27Å; E103-V105 PolarHBondContact O-N 3.37Å; E103-K106 PolarHBondContact O-N 3.06Å |
| 104 | W | 95.2 | Very high | 95 | Very high | 66 Ų | 66 | 33.2 Ų | 33.2 | 25% | 0.25 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.7 | -31.6 | -177.3 | -80.7 | 18.7 | 0 | 0 | 0 | 114.1 | L100 A101 K108 I116 D120 I121 E124 | L100-W104 HydrophobicContact CD1-CZ2 4.47Å; L100-W104 HydrophobicContact CD2-CZ2 4.23Å; L100-W104 HydrophobicContact CG-CD2 4.42Å; L100-W104 HydrophobicContact CG-CZ2 4.47Å; L100-W104 PolarHBondContact O-N 3.1Å; A101-W104 PolarHBondContact O-N 3.37Å; W104-K108 WeakPolarHBondContact O-CD 3.44Å; W104-K108 WeakPolarHBondContact O-CE 3.47Å; W104-K108 WeakPolarHBondContact O-CG 3.36Å; W104-K108 PolarHBondContact O-NZ 2.97Å; W104-I116 HydrophobicContact CB-CD1 4.2Å; W104-I116 HydrophobicContact CE3-CG2 4.02Å; W104-I116 HydrophobicContact CZ3-CG2 4.4Å; W104-D120 HydrophobicContact CH2-CB 4.12Å; W104-D120 HydrophobicContact CZ3-CB 3.88Å; W104-I121 HydrophobicContact CE3-CG1 4.27Å; W104-I121 HydrophobicContact CZ3-CG1 3.97Å; W104-E124 HydrophobicContact CH2-CB 4Å; W104-E124 HydrophobicContact CH2-CG 4.38Å; W104-E124 HydrophobicContact CZ2-CB 3.9Å; W104-E124 HydrophobicContact CZ2-CG 3.76Å |
| 105 | V | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -78.8 | -24.5 | 176.6 | -62.9 | 0 | 0 | 0 | 0 | 112 | I73 I81 A84 A101 T102 E103 G107 K108 A113 I116 I142 | I73-V105 HydrophobicContact CG2-CG2 4.37Å; I81-V105 WeakPolarHBondContact CB-O 3.43Å; I81-V105 HydrophobicContact CD1-CB 4.1Å; A84-V105 HydrophobicContact CB-CG2 3.51Å; A101-V105 WeakPolarHBondContact O-CG1 3.33Å; A101-V105 WeakPolarHBondContact O-CG2 3.37Å; A101-V105 PolarHBondContact O-N 2.9Å; T102-V105 WeakPolarHBondContact O-CG2 3.37Å; E103-V105 PolarHBondContact O-N 3.37Å; V105-G107 PolarHBondContact O-N 3.49Å; V105-K108 PolarHBondContact O-N 2.96Å; V105-A113 HydrophobicContact CG1-CB 4.31Å; V105-I116 HydrophobicContact CG1-CD1 3.83Å; V105-I142 HydrophobicContact CG1-CD1 3.85Å; V105-I142 HydrophobicContact CG1-CG1 3.94Å; V105-I142 HydrophobicContact CG1-CG2 4.11Å |
| 106 | K | 94.8 | Very high | 95.1 | Very high | 111 Ų | 111 | 39.5 Ų | 39.5 | 48% | 0.483 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 128.3 | -179.3 | -168.4 | 178.3 | 179.4 | -177.3 | 0 | 110.1 | V82 T102 E103 K108 | V82-K106 WeakPolarHBondContact O-CE 3.45Å; T102-K106 PolarHBondContact O-N 2.99Å; E103-K106 PolarHBondContact O-N 3.06Å; K106-K108 VanDerWaalsContact C-N 3.28Å; K106-K108 PolarHBondContact O-N 3.27Å |
| 107 | G | 94.1 | Very high | 95 | Very high | 52 Ų | 52 | 45.1 Ų | 45.1 | 54% | 0.536 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | -9.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | I81 V105 | I81-G107 WeakPolarHBondContact O-CA 3.35Å; I81-G107 PolarHBondContact O-N 3.21Å; V105-G107 PolarHBondContact O-N 3.49Å |
| 108 | K | 95.6 | Very high | 95 | Very high | 64 Ų | 64 | 47 Ų | 47 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | trans | -83.1 | 156.7 | 175 | -69.9 | -171.8 | -175.6 | 159.6 | 0 | 111.7 | I81 W104 V105 K106 E112 I116 | I81-K108 PolarHBondContact N-O 3.47Å; W104-K108 WeakPolarHBondContact O-CD 3.44Å; W104-K108 WeakPolarHBondContact O-CE 3.47Å; W104-K108 WeakPolarHBondContact O-CG 3.36Å; W104-K108 PolarHBondContact O-NZ 2.97Å; V105-K108 PolarHBondContact O-N 2.96Å; K106-K108 VanDerWaalsContact C-N 3.28Å; K106-K108 PolarHBondContact O-N 3.27Å; K108-E112 HydrophobicContact CB-CB 4.01Å; K108-E112 HydrophobicContact CD-CB 4.26Å; K108-E112 HydrophobicContact CG-CB 4.39Å; K108-I116 HydrophobicContact CD-CD1 4.25Å | ||
| 109 | S | 95.8 | Very high | 94.9 | Very high | 30 Ų | 30 | 50 Ų | 50 | 21% | 0.21 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -72.7 | 161.7 | 166.2 | 63.2 | 0 | 0 | 0 | 0 | 111.4 | D111 E112 A113 | S109-D111 PolarHBondContact O-N 3.33Å; S109-E112 PolarHBondContact N-OE2 3.45Å; S109-E112 PolarHBondContact O-N 2.96Å; S109-E112 WeakPolarHBondContact OG-CB 3.46Å; S109-E112 VanDerWaalsContact OG-CD 3.23Å; S109-E112 WeakPolarHBondContact OG-CG 3.41Å; S109-E112 PolarHBondContact OG-N 3.36Å; S109-E112 PolarHBondContact OG-OE2 3.41Å; S109-E112 VanDerWaalsContact OG-OE2 3.1Å; S109-A113 WeakPolarHBondContact O-CB 2.97Å; S109-A113 PolarHBondContact O-N 3.33Å |
| 110 | V | 93.1 | Very high | 94.9 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.1 | -40.9 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | V75 G79 A113 L114 L146 Y149 | V75-V110 HydrophobicContact CG1-CG2 4.01Å; V75-V110 HydrophobicContact CG2-CG2 4.27Å; G79-V110 PolarHBondContact O-N 3.46Å; V110-A113 PolarHBondContact O-N 3.09Å; V110-L114 PolarHBondContact O-N 2.94Å; V110-L146 HydrophobicContact CB-CD2 4.3Å; V110-L146 HydrophobicContact CG1-CD2 3.86Å; V110-L146 HydrophobicContact CG2-CD2 4.36Å; V110-Y149 HydrophobicContact CG2-CD1 4.27Å; V110-Y149 HydrophobicContact CG2-CE1 4.03Å |
| 111 | D | 92.7 | Very high | 94.8 | Very high | 98 Ų | 98 | 52.8 Ų | 52.8 | 52% | 0.524 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -76.9 | -30.8 | -178 | -59.7 | -41.1 | 0 | 0 | 0 | 113 | S109 K115 R150 | S109-D111 PolarHBondContact O-N 3.33Å; D111-K115 WeakPolarHBondContact O-CG 3.05Å; D111-R150 IonicContact OD1-NH2 3.79Å; D111-R150 PolarHBondContact OD1-NH2 3.25Å |
| 112 | E | 94.6 | Very high | 94.7 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 45% | 0.453 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.1 | -38 | 171.4 | -75.1 | 167.8 | 165.1 | 0 | 0 | 111.8 | K108 S109 L114 K115 | K108-E112 HydrophobicContact CB-CB 4.01Å; K108-E112 HydrophobicContact CD-CB 4.26Å; K108-E112 HydrophobicContact CG-CB 4.39Å; S109-E112 PolarHBondContact N-OE2 3.45Å; S109-E112 PolarHBondContact O-N 2.96Å; S109-E112 WeakPolarHBondContact OG-CB 3.46Å; S109-E112 VanDerWaalsContact OG-CD 3.23Å; S109-E112 WeakPolarHBondContact OG-CG 3.41Å; S109-E112 PolarHBondContact OG-N 3.36Å; S109-E112 PolarHBondContact OG-OE2 3.41Å; S109-E112 VanDerWaalsContact OG-OE2 3.1Å; E112-L114 VanDerWaalsContact C-N 3.26Å; E112-L114 PolarHBondContact O-N 3.47Å; E112-K115 WeakPolarHBondContact O-CB 3.18Å; E112-K115 PolarHBondContact O-N 3.11Å; E112-K115 VanDerWaalsContact O-N 3.11Å |
| 113 | A | 94.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.3 | -34.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I81 V105 S109 V110 K115 I116 I142 L146 | I81-A113 HydrophobicContact CD1-CB 3.67Å; V105-A113 HydrophobicContact CG1-CB 4.31Å; S109-A113 WeakPolarHBondContact O-CB 2.97Å; S109-A113 PolarHBondContact O-N 3.33Å; V110-A113 PolarHBondContact O-N 3.09Å; A113-K115 VanDerWaalsContact C-N 3.26Å; A113-K115 PolarHBondContact O-N 3.12Å; A113-I116 WeakPolarHBondContact O-CB 3.41Å; A113-I116 WeakPolarHBondContact O-CG1 3.28Å; A113-I116 PolarHBondContact O-N 2.85Å; A113-I142 HydrophobicContact CB-CG2 4.49Å; A113-L146 HydrophobicContact CB-CD1 3.77Å; A113-L146 HydrophobicContact CB-CD2 4.21Å |
| 114 | L | 93.6 | Very high | 94.5 | Very high | 56 Ų | 56 | 60.7 Ų | 60.7 | 29% | 0.293 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.4 | -23.5 | 173.6 | -77.2 | 175.8 | 0 | 0 | 0 | 114.4 | V110 E112 I116 K143 L146 | V110-L114 PolarHBondContact O-N 2.94Å; E112-L114 VanDerWaalsContact C-N 3.26Å; E112-L114 PolarHBondContact O-N 3.47Å; L114-I116 VanDerWaalsContact C-N 3.26Å; L114-K143 HydrophobicContact CD2-CG 4.3Å; L114-L146 HydrophobicContact CD2-CB 4.34Å; L114-L146 HydrophobicContact CD2-CD1 3.67Å; L114-L146 HydrophobicContact CG-CD1 3.8Å |
| 115 | K | 95.4 | Very high | 94.3 | Very high | 154 Ų | 154 | 57.6 Ų | 57.6 | 67% | 0.67 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -10.6 | 180 | -67.2 | 173.6 | -173.1 | 176.2 | 0 | 112.7 | D111 E112 A113 K117 | D111-K115 WeakPolarHBondContact O-CG 3.05Å; E112-K115 WeakPolarHBondContact O-CB 3.18Å; E112-K115 PolarHBondContact O-N 3.11Å; E112-K115 VanDerWaalsContact O-N 3.11Å; A113-K115 VanDerWaalsContact C-N 3.26Å; A113-K115 PolarHBondContact O-N 3.12Å; K115-K117 PolarHBondContact O-N 2.89Å |
| 116 | I | 94.4 | Very high | 94.1 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 5% | 0.051 | 31% | 0.314 | C | S | . | . | trans | -67.9 | 124 | 177.7 | -61.1 | 172.7 | 0 | 0 | 0 | 108.8 | W104 V105 K108 A113 L114 I121 I142 | W104-I116 HydrophobicContact CB-CD1 4.2Å; W104-I116 HydrophobicContact CE3-CG2 4.02Å; W104-I116 HydrophobicContact CZ3-CG2 4.4Å; V105-I116 HydrophobicContact CG1-CD1 3.83Å; K108-I116 HydrophobicContact CD-CD1 4.25Å; A113-I116 WeakPolarHBondContact O-CB 3.41Å; A113-I116 WeakPolarHBondContact O-CG1 3.28Å; A113-I116 PolarHBondContact O-N 2.85Å; L114-I116 VanDerWaalsContact C-N 3.26Å; I116-I121 HydrophobicContact CG2-CD1 4.12Å; I116-I121 HydrophobicContact CG2-CG1 4.31Å; I116-I142 HydrophobicContact CB-CD1 4.48Å; I116-I142 HydrophobicContact CD1-CD1 4.4Å; I116-I142 HydrophobicContact CG2-CD1 4.16Å | ||
| 117 | K | 95.2 | Very high | 93.8 | Very high | 118 Ų | 118 | 56.5 Ų | 56.5 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | trans | -109 | 151.2 | 179.4 | -63.5 | -177.4 | -179.9 | -178 | 0 | 111.6 | K115 T119 D120 I121 | K115-K117 PolarHBondContact O-N 2.89Å; K117-T119 PolarHBondContact O-N 3.39Å; K117-D120 PolarHBondContact O-N 3.28Å; K117-I121 PolarHBondContact O-N 3.02Å | ||
| 118 | N | 94.1 | Very high | 93.6 | Very high | 40 Ų | 40 | 57.4 Ų | 57.4 | 21% | 0.214 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -53.7 | -33 | 171.4 | 66.3 | -35.6 | 0 | 0 | 0 | 112.9 | D120 I121 A122 S135 M136 E139 | N118-D120 VanDerWaalsContact C-N 3.27Å; N118-D120 PolarHBondContact O-N 3.29Å; N118-I121 PolarHBondContact O-N 3.47Å; N118-A122 VanDerWaalsContact O-CB 3.3Å; N118-A122 WeakPolarHBondContact O-CB 3.47Å; N118-A122 PolarHBondContact O-N 3.17Å; N118-S135 WeakPolarHBondContact CB-O 3.39Å; N118-S135 WeakPolarHBondContact O-CB 3.33Å; N118-S135 PolarHBondContact O-OG 3.41Å; N118-M136 HydrophobicContact CB-CG 4.22Å; N118-M136 WeakPolarHBondContact ND2-CG 3.42Å; N118-E139 HydrophobicContact CB-CB 4.24Å; N118-E139 WeakPolarHBondContact CB-OE2 3.32Å; N118-E139 VanDerWaalsContact CG-OE2 3.27Å; N118-E139 PolarHBondContact N-OE2 3.15Å; N118-E139 PolarHBondContact OD1-OE2 2.61Å |
| 119 | T | 94.2 | Very high | 93.3 | Very high | 65 Ų | 65 | 59.5 Ų | 59.5 | 40% | 0.399 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 178.5 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | K117 K123 | K117-T119 PolarHBondContact O-N 3.39Å; T119-K123 WeakPolarHBondContact O-CB 3.5Å; T119-K123 WeakPolarHBondContact O-CD 3.49Å; T119-K123 WeakPolarHBondContact O-CG 3.21Å; T119-K123 PolarHBondContact O-N 3.16Å |
| 120 | D | 95.2 | Very high | 93 | Very high | 64 Ų | 64 | 63.8 Ų | 63.8 | 34% | 0.342 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -77 | -41.3 | -177.2 | -55.6 | -33.5 | 0 | 0 | 0 | 110 | W104 K117 N118 K123 E124 | W104-D120 HydrophobicContact CH2-CB 4.12Å; W104-D120 HydrophobicContact CZ3-CB 3.88Å; K117-D120 PolarHBondContact O-N 3.28Å; N118-D120 VanDerWaalsContact C-N 3.27Å; N118-D120 PolarHBondContact O-N 3.29Å; D120-K123 PolarHBondContact O-N 3.1Å; D120-E124 WeakPolarHBondContact O-CB 3.49Å; D120-E124 PolarHBondContact O-N 3.42Å |
| 121 | I | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 173.1 | -61.4 | 173.3 | 0 | 0 | 0 | 110.6 | L100 W104 I116 K117 N118 K123 E124 L125 A138 | L100-I121 HydrophobicContact CD2-CG2 4.35Å; W104-I121 HydrophobicContact CE3-CG1 4.27Å; W104-I121 HydrophobicContact CZ3-CG1 3.97Å; I116-I121 HydrophobicContact CG2-CD1 4.12Å; I116-I121 HydrophobicContact CG2-CG1 4.31Å; K117-I121 PolarHBondContact O-N 3.02Å; N118-I121 PolarHBondContact O-N 3.47Å; I121-K123 PolarHBondContact O-N 3.12Å; I121-E124 PolarHBondContact O-N 3.24Å; I121-L125 HydrophobicContact CG2-CD1 4.19Å; I121-L125 PolarHBondContact O-N 3.39Å; I121-L125 VanDerWaalsContact O-N 3.08Å; I121-A138 HydrophobicContact CD1-CB 4Å |
| 122 | A | 93.8 | Very high | 92.8 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 8% | 0.083 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | N118 C126 L127 L132 | N118-A122 VanDerWaalsContact O-CB 3.3Å; N118-A122 WeakPolarHBondContact O-CB 3.47Å; N118-A122 PolarHBondContact O-N 3.17Å; A122-C126 WeakPolarHBondContact O-CA 3.3Å; A122-C126 PolarHBondContact O-N 3.38Å; A122-L127 HydrophobicContact CB-CB 4.45Å; A122-L127 HydrophobicContact CB-CD1 4.32Å; A122-L127 PolarHBondContact O-N 2.99Å; A122-L132 HydrophobicContact CB-CD2 3.61Å |
| 123 | K | 93.6 | Very high | 92.6 | Very high | 152 Ų | 152 | 64 Ų | 64 | 66% | 0.661 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65 | -45.8 | 174.9 | -76.4 | 170.3 | -176.1 | 176.3 | 0 | 111.3 | T119 D120 I121 L125 C126 | T119-K123 WeakPolarHBondContact O-CB 3.5Å; T119-K123 WeakPolarHBondContact O-CD 3.49Å; T119-K123 WeakPolarHBondContact O-CG 3.21Å; T119-K123 PolarHBondContact O-N 3.16Å; D120-K123 PolarHBondContact O-N 3.1Å; I121-K123 PolarHBondContact O-N 3.12Å; K123-L125 VanDerWaalsContact C-N 3.34Å; K123-L125 PolarHBondContact O-N 2.93Å; K123-C126 PolarHBondContact O-N 3.39Å; K123-C126 VanDerWaalsContact O-N 3.1Å; K123-C126 PolarHBondContact O-SG 2.89Å |
| 124 | E | 93.8 | Very high | 92.5 | Very high | 75 Ų | 75 | 64 Ų | 64 | 35% | 0.35 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | -177.6 | -174.3 | 58.1 | -146.5 | 0 | 0 | 111.8 | K34 L100 W104 D120 I121 C126 | K34-E124 WeakPolarHBondContact CD-O 3.48Å; K34-E124 PolarHBondContact NZ-O 3.01Å; K34-E124 IonicContact NZ-OE1 3.36Å; K34-E124 PolarHBondContact NZ-OE1 2.97Å; K34-E124 IonicContact NZ-OE2 2.82Å; L100-E124 HydrophobicContact CD1-CG 4.3Å; L100-E124 HydrophobicContact CD2-CB 3.84Å; L100-E124 HydrophobicContact CD2-CG 3.65Å; W104-E124 HydrophobicContact CH2-CB 4Å; W104-E124 HydrophobicContact CH2-CG 4.38Å; W104-E124 HydrophobicContact CZ2-CB 3.9Å; W104-E124 HydrophobicContact CZ2-CG 3.76Å; D120-E124 WeakPolarHBondContact O-CB 3.49Å; D120-E124 PolarHBondContact O-N 3.42Å; I121-E124 PolarHBondContact O-N 3.24Å; E124-C126 VanDerWaalsContact C-N 3.3Å |
| 125 | L | 91.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -3.6 | 178.2 | -67.5 | 176.9 | 0 | 0 | 0 | 113.9 | K34 V35 A96 L100 I121 K123 L127 | K34-L125 HydrophobicContact CB-CD2 4.22Å; V35-L125 HydrophobicContact CG2-CB 4Å; V35-L125 HydrophobicContact CG2-CD2 4.25Å; A96-L125 HydrophobicContact CB-CD1 4.18Å; A96-L125 HydrophobicContact CB-CD2 4.41Å; L100-L125 HydrophobicContact CD2-CD1 4.15Å; L100-L125 HydrophobicContact CD2-CD2 4.04Å; L100-L125 HydrophobicContact CD2-CG 3.74Å; I121-L125 HydrophobicContact CG2-CD1 4.19Å; I121-L125 PolarHBondContact O-N 3.39Å; I121-L125 VanDerWaalsContact O-N 3.08Å; K123-L125 VanDerWaalsContact C-N 3.34Å; K123-L125 PolarHBondContact O-N 2.93Å; L125-L127 VanDerWaalsContact C-N 3.29Å; L125-L127 HydrophobicContact CB-CD2 3.84Å; L125-L127 HydrophobicContact CB-CG 3.82Å; L125-L127 PolarHBondContact O-N 3.49Å |
| 126 | C | 91.6 | Very high | 92.4 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 46% | 0.459 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 47.2 | -175.7 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | H32 A122 K123 E124 | H32-C126 HydrophobicContact CB-CB 4.39Å; A122-C126 WeakPolarHBondContact O-CA 3.3Å; A122-C126 PolarHBondContact O-N 3.38Å; K123-C126 PolarHBondContact O-N 3.39Å; K123-C126 VanDerWaalsContact O-N 3.1Å; K123-C126 PolarHBondContact O-SG 2.89Å; E124-C126 VanDerWaalsContact C-N 3.3Å |
| 127 | L | 89.1 | Confident | 92.4 | Very high | 19 Ų | 19 | 59 Ų | 59 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | trans | -70.3 | 135.6 | -175.6 | -62.4 | -179.8 | 0 | 0 | 0 | 111.2 | V35 A122 L125 | V35-L127 HydrophobicContact CG2-CD2 3.91Å; A122-L127 HydrophobicContact CB-CB 4.45Å; A122-L127 HydrophobicContact CB-CD1 4.32Å; A122-L127 PolarHBondContact O-N 2.99Å; L125-L127 VanDerWaalsContact C-N 3.29Å; L125-L127 HydrophobicContact CB-CD2 3.84Å; L125-L127 HydrophobicContact CB-CG 3.82Å; L125-L127 PolarHBondContact O-N 3.49Å | ||
| 128 | P | 89.9 | Confident | 92.4 | Very high | 72 Ų | 72 | 53.4 Ų | 53.4 | 47% | 0.468 | 29% | 0.29 | S | S | . | . | trans | -68.6 | 157.2 | 171.2 | 29.8 | -34.7 | 0 | 0 | 0 | 110.7 | V130 K131 | P128-V130 PolarHBondContact O-N 3.14Å; P128-K131 HydrophobicContact CG-CB 4.31Å; P128-K131 HydrophobicContact CG-CG 4.21Å; P128-K131 PolarHBondContact O-N 3.48Å | ||
| 129 | P | 88.4 | Confident | 92.5 | Very high | 107 Ų | 107 | 52.7 Ų | 52.7 | 70% | 0.695 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -52.9 | -33.6 | -176.4 | -28.7 | 35.2 | 0 | 0 | 0 | 114.7 | K131 L132 | P129-K131 PolarHBondContact O-N 3.4Å; P129-L132 HydrophobicContact CB-CD1 4.47Å; P129-L132 WeakPolarHBondContact O-CG 3.43Å; P129-L132 PolarHBondContact O-N 3.11Å |
| 130 | V | 89.9 | Confident | 92.6 | Very high | 120 Ų | 120 | 53.2 Ų | 53.2 | 73% | 0.727 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -65.6 | -23.6 | -179.4 | -172.6 | 0 | 0 | 0 | 0 | 112.6 | P128 H133 | P128-V130 PolarHBondContact O-N 3.14Å; V130-H133 PolarHBondContact O-CE1 2.99Å; V130-H133 PolarHBondContact O-ND1 2.67Å |
| 131 | K | 89.3 | Confident | 92.6 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 27% | 0.265 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -107.2 | 14.4 | -176.4 | -64.5 | -60.5 | -172.6 | 178.3 | 0 | 114 | P128 P129 H133 C134 | P128-K131 HydrophobicContact CG-CB 4.31Å; P128-K131 HydrophobicContact CG-CG 4.21Å; P128-K131 PolarHBondContact O-N 3.48Å; P129-K131 PolarHBondContact O-N 3.4Å; K131-H133 PolarHBondContact O-N 3.08Å; K131-C134 WeakPolarHBondContact O-CB 3.31Å; K131-C134 PolarHBondContact O-N 2.96Å |
| 132 | L | 91.9 | Very high | 92.7 | Very high | 72 Ų | 72 | 50.4 Ų | 50.4 | 38% | 0.377 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.9 | -21.6 | 177.6 | -68.1 | 174.6 | 0 | 0 | 0 | 113.8 | A122 P129 C134 S135 M136 | A122-L132 HydrophobicContact CB-CD2 3.61Å; P129-L132 HydrophobicContact CB-CD1 4.47Å; P129-L132 WeakPolarHBondContact O-CG 3.43Å; P129-L132 PolarHBondContact O-N 3.11Å; L132-C134 PolarHBondContact O-N 3.14Å; L132-S135 PolarHBondContact O-N 2.86Å; L132-S135 PolarHBondContact O-OG 3.41Å; L132-M136 PolarHBondContact O-N 3.08Å |
| 133 | H | 90.7 | Very high | 92.8 | Very high | 79 Ų | 79 | 53.7 Ų | 53.7 | 37% | 0.366 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -29.1 | 173.7 | 63.1 | -87.5 | 0 | 0 | 0 | 112.4 | D67 V130 K131 S135 M136 L137 | D67-H133 IonicContact OD2-CD2 2.97Å; D67-H133 PolarHBondContact OD2-CD2 3.35Å; D67-H133 VanDerWaalsContact OD2-CD2 3.28Å; D67-H133 IonicContact OD2-NE2 3.47Å; D67-H133 PolarHBondContact OD2-NE2 3.36Å; V130-H133 PolarHBondContact O-CE1 2.99Å; V130-H133 PolarHBondContact O-ND1 2.67Å; K131-H133 PolarHBondContact O-N 3.08Å; H133-S135 VanDerWaalsContact C-N 3.33Å; H133-S135 PolarHBondContact O-N 3.06Å; H133-M136 PolarHBondContact O-N 3.48Å; H133-L137 WeakPolarHBondContact O-CB 3.12Å; H133-L137 PolarHBondContact O-N 3.42Å |
| 134 | C | 91.9 | Very high | 93 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.9 | -35.9 | 178 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | C91 A94 K131 L132 A138 | C91-C134 VanDerWaalsContact SG-SG 3.63Å; A94-C134 HydrophobicContact CB-CB 4.38Å; K131-C134 WeakPolarHBondContact O-CB 3.31Å; K131-C134 PolarHBondContact O-N 2.96Å; L132-C134 PolarHBondContact O-N 3.14Å; C134-A138 PolarHBondContact O-N 3.18Å |
| 135 | S | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -77.7 | -32.2 | 177 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | N118 L132 H133 A138 E139 | N118-S135 WeakPolarHBondContact CB-O 3.39Å; N118-S135 WeakPolarHBondContact O-CB 3.33Å; N118-S135 PolarHBondContact O-OG 3.41Å; L132-S135 PolarHBondContact O-N 2.86Å; L132-S135 PolarHBondContact O-OG 3.41Å; H133-S135 VanDerWaalsContact C-N 3.33Å; H133-S135 PolarHBondContact O-N 3.06Å; S135-A138 PolarHBondContact O-N 3.38Å; S135-E139 PolarHBondContact O-N 3.35Å; S135-E139 VanDerWaalsContact O-N 3.1Å |
| 136 | M | 94.4 | Very high | 93.2 | Very high | 97 Ų | 97 | 44.3 Ų | 44.3 | 48% | 0.478 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 171.2 | -66.1 | 175.3 | 68.9 | 0 | 0 | 111.1 | N118 L132 H133 A138 E139 D140 | N118-M136 HydrophobicContact CB-CG 4.22Å; N118-M136 WeakPolarHBondContact ND2-CG 3.42Å; L132-M136 PolarHBondContact O-N 3.08Å; H133-M136 PolarHBondContact O-N 3.48Å; M136-A138 VanDerWaalsContact C-N 3.26Å; M136-A138 PolarHBondContact O-N 2.69Å; M136-E139 PolarHBondContact O-N 3.22Å; M136-E139 VanDerWaalsContact O-N 3.16Å; M136-D140 VanDerWaalsContact O-CG 3.31Å; M136-D140 PolarHBondContact O-N 3.28Å |
| 137 | L | 94.6 | Very high | 93.4 | Very high | 19 Ų | 19 | 44 Ų | 44 | 10% | 0.099 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.2 | -40.6 | 176.5 | -174.4 | 71.2 | 0 | 0 | 0 | 112 | V60 D67 M69 H133 D140 A141 | V60-L137 HydrophobicContact CB-CD1 4.19Å; V60-L137 HydrophobicContact CG2-CD1 3.65Å; V60-L137 HydrophobicContact CG2-CG 4.2Å; D67-L137 HydrophobicContact CB-CD2 3.9Å; M69-L137 HydrophobicContact CB-CD2 3.92Å; M69-L137 HydrophobicContact CB-CG 4.05Å; H133-L137 WeakPolarHBondContact O-CB 3.12Å; H133-L137 PolarHBondContact O-N 3.42Å; L137-D140 PolarHBondContact O-N 3.47Å; L137-A141 WeakPolarHBondContact O-CB 3.48Å; L137-A141 PolarHBondContact O-N 3.06Å |
| 138 | A | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M69 A101 I121 C134 S135 M136 A141 I142 | M69-A138 HydrophobicContact SD-CB 4.39Å; A101-A138 HydrophobicContact CB-CB 4.2Å; I121-A138 HydrophobicContact CD1-CB 4Å; C134-A138 PolarHBondContact O-N 3.18Å; S135-A138 PolarHBondContact O-N 3.38Å; M136-A138 VanDerWaalsContact C-N 3.26Å; M136-A138 PolarHBondContact O-N 2.69Å; A138-A141 PolarHBondContact O-N 3.23Å; A138-I142 WeakPolarHBondContact O-CG1 3.4Å; A138-I142 PolarHBondContact O-N 2.93Å; A138-I142 VanDerWaalsContact O-N 3.12Å |
| 139 | E | 95.7 | Very high | 93.9 | Very high | 25 Ų | 25 | 43.3 Ų | 43.3 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62 | -46.9 | 173.9 | 179.1 | -178.7 | 168.6 | 0 | 0 | 111.5 | N118 S135 M136 A141 I142 K143 | N118-E139 HydrophobicContact CB-CB 4.24Å; N118-E139 WeakPolarHBondContact CB-OE2 3.32Å; N118-E139 VanDerWaalsContact CG-OE2 3.27Å; N118-E139 PolarHBondContact N-OE2 3.15Å; N118-E139 PolarHBondContact OD1-OE2 2.61Å; S135-E139 PolarHBondContact O-N 3.35Å; S135-E139 VanDerWaalsContact O-N 3.1Å; M136-E139 PolarHBondContact O-N 3.22Å; M136-E139 VanDerWaalsContact O-N 3.16Å; E139-A141 VanDerWaalsContact C-N 3.28Å; E139-A141 PolarHBondContact O-N 3.46Å; E139-I142 PolarHBondContact O-N 3.46Å; E139-K143 HydrophobicContact CG-CD 4.35Å; E139-K143 WeakPolarHBondContact O-CG 3.46Å; E139-K143 PolarHBondContact O-N 3.46Å; E139-K143 WeakPolarHBondContact OE1-CE 3.5Å; E139-K143 IonicContact OE1-NZ 3.28Å; E139-K143 PolarHBondContact OE1-NZ 2.77Å |
| 140 | D | 95.9 | Very high | 94.1 | Very high | 76 Ų | 76 | 42.7 Ų | 42.7 | 41% | 0.406 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.9 | -38.5 | 179 | -69.1 | -22.7 | 0 | 0 | 0 | 111.3 | V60 M136 L137 K143 A144 | V60-D140 HydrophobicContact CG1-CB 4.37Å; M136-D140 VanDerWaalsContact O-CG 3.31Å; M136-D140 PolarHBondContact O-N 3.28Å; L137-D140 PolarHBondContact O-N 3.47Å; D140-K143 PolarHBondContact O-N 3.36Å; D140-A144 VanDerWaalsContact O-CB 3.27Å; D140-A144 WeakPolarHBondContact O-CB 3.4Å; D140-A144 PolarHBondContact O-N 3.24Å |
| 141 | A | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V60 M69 L71 L137 A138 E139 A145 | V60-A141 HydrophobicContact CG2-CB 3.53Å; M69-A141 HydrophobicContact CE-CB 3.6Å; M69-A141 HydrophobicContact CG-CB 4.02Å; M69-A141 HydrophobicContact SD-CB 3.61Å; L71-A141 HydrophobicContact CB-CB 4.02Å; L137-A141 WeakPolarHBondContact O-CB 3.48Å; L137-A141 PolarHBondContact O-N 3.06Å; A138-A141 PolarHBondContact O-N 3.23Å; E139-A141 VanDerWaalsContact C-N 3.28Å; E139-A141 PolarHBondContact O-N 3.46Å; A141-A145 WeakPolarHBondContact O-CB 3.39Å; A141-A145 PolarHBondContact O-N 3.28Å |
| 142 | I | 96.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.1 | -50.4 | 176.4 | -67.6 | 166.9 | 0 | 0 | 0 | 109.6 | L71 A101 V105 A113 I116 A138 E139 A144 A145 L146 | L71-I142 HydrophobicContact CD1-CG1 4.19Å; A101-I142 HydrophobicContact CB-CD1 4.03Å; V105-I142 HydrophobicContact CG1-CD1 3.85Å; V105-I142 HydrophobicContact CG1-CG1 3.94Å; V105-I142 HydrophobicContact CG1-CG2 4.11Å; A113-I142 HydrophobicContact CB-CG2 4.49Å; I116-I142 HydrophobicContact CB-CD1 4.48Å; I116-I142 HydrophobicContact CD1-CD1 4.4Å; I116-I142 HydrophobicContact CG2-CD1 4.16Å; A138-I142 WeakPolarHBondContact O-CG1 3.4Å; A138-I142 PolarHBondContact O-N 2.93Å; A138-I142 VanDerWaalsContact O-N 3.12Å; E139-I142 PolarHBondContact O-N 3.46Å; I142-A144 PolarHBondContact O-N 3.03Å; I142-A145 PolarHBondContact O-N 3.1Å; I142-L146 HydrophobicContact CG2-CD1 3.57Å; I142-L146 HydrophobicContact CG2-CG 4.38Å; I142-L146 WeakPolarHBondContact O-CD1 3.14Å; I142-L146 VanDerWaalsContact O-CG 3.26Å; I142-L146 WeakPolarHBondContact O-CG 3.11Å; I142-L146 PolarHBondContact O-N 3.39Å |
| 143 | K | 96.1 | Very high | 94 | Very high | 79 Ų | 79 | 41 Ų | 41 | 34% | 0.343 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 179.3 | -70.8 | 176.9 | -175.8 | 168.3 | 0 | 111.6 | L114 E139 D140 A145 L146 S147 | L114-K143 HydrophobicContact CD2-CG 4.3Å; E139-K143 HydrophobicContact CG-CD 4.35Å; E139-K143 WeakPolarHBondContact O-CG 3.46Å; E139-K143 PolarHBondContact O-N 3.46Å; E139-K143 WeakPolarHBondContact OE1-CE 3.5Å; E139-K143 IonicContact OE1-NZ 3.28Å; E139-K143 PolarHBondContact OE1-NZ 2.77Å; D140-K143 PolarHBondContact O-N 3.36Å; K143-A145 VanDerWaalsContact C-N 3.34Å; K143-A145 PolarHBondContact O-N 2.95Å; K143-L146 PolarHBondContact O-N 3.07Å; K143-S147 WeakPolarHBondContact O-CB 3.03Å; K143-S147 PolarHBondContact O-N 3.34Å; K143-S147 PolarHBondContact O-OG 2.94Å |
| 144 | A | 96.4 | Very high | 93.8 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 25% | 0.248 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | V60 D140 I142 S147 D148 | V60-A144 HydrophobicContact CG1-CB 3.8Å; D140-A144 VanDerWaalsContact O-CB 3.27Å; D140-A144 WeakPolarHBondContact O-CB 3.4Å; D140-A144 PolarHBondContact O-N 3.24Å; I142-A144 PolarHBondContact O-N 3.03Å; A144-S147 PolarHBondContact O-N 2.72Å; A144-D148 PolarHBondContact O-N 2.92Å |
| 145 | A | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G56 L71 I73 A141 I142 K143 Y149 | G56-A145 WeakPolarHBondContact CA-O 3.48Å; L71-A145 HydrophobicContact CD2-CB 3.61Å; I73-A145 HydrophobicContact CD1-CB 4.17Å; I73-A145 HydrophobicContact CG1-CB 4.17Å; A141-A145 WeakPolarHBondContact O-CB 3.39Å; A141-A145 PolarHBondContact O-N 3.28Å; I142-A145 PolarHBondContact O-N 3.1Å; K143-A145 VanDerWaalsContact C-N 3.34Å; K143-A145 PolarHBondContact O-N 2.95Å; A145-Y149 PolarHBondContact O-N 3.38Å; A145-Y149 VanDerWaalsContact O-N 3.1Å |
| 146 | L | 95.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.1 | -37.7 | 176.8 | -65.4 | 164.4 | 0 | 0 | 0 | 111.7 | I73 I81 V110 A113 L114 I142 K143 Y149 R150 | I73-L146 HydrophobicContact CD1-CD2 3.27Å; I73-L146 HydrophobicContact CD1-CG 3.81Å; I81-L146 HydrophobicContact CD1-CD2 4.19Å; V110-L146 HydrophobicContact CB-CD2 4.3Å; V110-L146 HydrophobicContact CG1-CD2 3.86Å; V110-L146 HydrophobicContact CG2-CD2 4.36Å; A113-L146 HydrophobicContact CB-CD1 3.77Å; A113-L146 HydrophobicContact CB-CD2 4.21Å; L114-L146 HydrophobicContact CD2-CB 4.34Å; L114-L146 HydrophobicContact CD2-CD1 3.67Å; L114-L146 HydrophobicContact CG-CD1 3.8Å; I142-L146 HydrophobicContact CG2-CD1 3.57Å; I142-L146 HydrophobicContact CG2-CG 4.38Å; I142-L146 WeakPolarHBondContact O-CD1 3.14Å; I142-L146 VanDerWaalsContact O-CG 3.26Å; I142-L146 WeakPolarHBondContact O-CG 3.11Å; I142-L146 PolarHBondContact O-N 3.39Å; K143-L146 PolarHBondContact O-N 3.07Å; L146-Y149 PolarHBondContact O-N 3.4Å; L146-R150 WeakPolarHBondContact O-CG 3.35Å; L146-R150 PolarHBondContact O-N 3.28Å |
| 147 | S | 94.7 | Very high | 88.8 | Confident | 62 Ų | 62 | 67.1 Ų | 67.1 | 43% | 0.434 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64 | -46.4 | 174.1 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | K143 A144 Y149 R150 L151 | K143-S147 WeakPolarHBondContact O-CB 3.03Å; K143-S147 PolarHBondContact O-N 3.34Å; K143-S147 PolarHBondContact O-OG 2.94Å; A144-S147 PolarHBondContact O-N 2.72Å; S147-Y149 VanDerWaalsContact C-N 3.29Å; S147-Y149 PolarHBondContact O-N 3.17Å; S147-R150 PolarHBondContact O-N 2.93Å; S147-R150 VanDerWaalsContact O-N 3.15Å; S147-L151 WeakPolarHBondContact O-CG 3.44Å; S147-L151 PolarHBondContact O-N 3.03Å |
| 148 | D | 95.1 | Very high | 88.5 | Confident | 45 Ų | 45 | 69.5 Ų | 69.5 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 174.8 | -178.8 | 66.9 | 0 | 0 | 0 | 111.5 | G56 T57 A144 K152 | G56-D148 WeakPolarHBondContact CA-OD2 3.3Å; T57-D148 PolarHBondContact N-OD2 3.4Å; T57-D148 WeakPolarHBondContact O-CB 3.42Å; A144-D148 PolarHBondContact O-N 2.92Å; D148-K152 WeakPolarHBondContact O-CG 3.46Å; D148-K152 PolarHBondContact O-N 2.9Å; D148-K152 IonicContact OD1-NZ 2.87Å; D148-K152 WeakPolarHBondContact OD2-CE 3.19Å; D148-K152 IonicContact OD2-NZ 3.25Å; D148-K152 PolarHBondContact OD2-NZ 3.06Å |
| 149 | Y | 94.3 | Very high | 88.1 | Confident | 30 Ų | 30 | 73.2 Ų | 73.2 | 12% | 0.118 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 174.4 | 171.2 | -105.1 | 0 | 0 | 0 | 112.2 | V75 V110 A145 L146 S147 K152 Q153 | V75-Y149 HydrophobicContact CB-CD2 4.23Å; V75-Y149 HydrophobicContact CB-CE1 4.25Å; V75-Y149 HydrophobicContact CB-CE2 3.67Å; V75-Y149 HydrophobicContact CG1-CE1 4.13Å; V75-Y149 HydrophobicContact CG1-CE2 4.28Å; V75-Y149 HydrophobicContact CG2-CD1 4.12Å; V75-Y149 HydrophobicContact CG2-CD2 3.89Å; V75-Y149 HydrophobicContact CG2-CE1 4.08Å; V75-Y149 HydrophobicContact CG2-CE2 3.84Å; V75-Y149 HydrophobicContact CG2-CG 4.03Å; V110-Y149 HydrophobicContact CG2-CD1 4.27Å; V110-Y149 HydrophobicContact CG2-CE1 4.03Å; A145-Y149 PolarHBondContact O-N 3.38Å; A145-Y149 VanDerWaalsContact O-N 3.1Å; L146-Y149 PolarHBondContact O-N 3.4Å; S147-Y149 VanDerWaalsContact C-N 3.29Å; S147-Y149 PolarHBondContact O-N 3.17Å; Y149-K152 PolarHBondContact O-N 3.31Å; Y149-Q153 HydrophobicContact CE1-CG 4.17Å; Y149-Q153 HydrophobicContact CE2-CG 4.09Å; Y149-Q153 WeakPolarHBondContact O-CG 3.26Å; Y149-Q153 PolarHBondContact O-N 2.82Å |
| 150 | R | 92.1 | Very high | 87.7 | Confident | 95 Ų | 95 | 75.8 Ų | 75.8 | 36% | 0.358 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | -179.9 | -74.9 | 174.4 | 173.8 | -174.5 | -5.8 | 112.1 | D111 L146 S147 K152 Q153 E154 | D111-R150 IonicContact OD1-NH2 3.79Å; D111-R150 PolarHBondContact OD1-NH2 3.25Å; L146-R150 WeakPolarHBondContact O-CG 3.35Å; L146-R150 PolarHBondContact O-N 3.28Å; S147-R150 PolarHBondContact O-N 2.93Å; S147-R150 VanDerWaalsContact O-N 3.15Å; R150-K152 VanDerWaalsContact C-N 3.31Å; R150-K152 PolarHBondContact O-N 3.28Å; R150-Q153 WeakPolarHBondContact O-CB 3.37Å; R150-Q153 PolarHBondContact O-N 2.99Å; R150-E154 PolarHBondContact O-N 2.76Å; R150-E154 VanDerWaalsContact O-N 3.12Å |
| 151 | L | 92.4 | Very high | 87.2 | Confident | 99 Ų | 99 | 75.8 Ų | 75.8 | 52% | 0.518 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 176.8 | -69.4 | 171.4 | 0 | 0 | 0 | 111.8 | S147 Q153 E154 E155 | S147-L151 WeakPolarHBondContact O-CG 3.44Å; S147-L151 PolarHBondContact O-N 3.03Å; L151-Q153 PolarHBondContact O-N 2.78Å; L151-E154 PolarHBondContact O-N 2.83Å; L151-E154 VanDerWaalsContact O-N 3.07Å; L151-E155 PolarHBondContact O-N 2.98Å; L151-E155 VanDerWaalsContact O-N 3.09Å |
| 152 | K | 89.9 | Confident | 86.7 | Confident | 48 Ų | 48 | 80.6 Ų | 80.6 | 21% | 0.209 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.5 | -23.7 | 176.4 | -71.1 | 176.7 | -172.6 | 171.2 | 0 | 114.2 | K50 V55 D148 Y149 R150 | K50-K152 PolarHBondContact O-NZ 2.95Å; V55-K152 PolarHBondContact O-NZ 2.81Å; D148-K152 WeakPolarHBondContact O-CG 3.46Å; D148-K152 PolarHBondContact O-N 2.9Å; D148-K152 IonicContact OD1-NZ 2.87Å; D148-K152 WeakPolarHBondContact OD2-CE 3.19Å; D148-K152 IonicContact OD2-NZ 3.25Å; D148-K152 PolarHBondContact OD2-NZ 3.06Å; Y149-K152 PolarHBondContact O-N 3.31Å; R150-K152 VanDerWaalsContact C-N 3.31Å; R150-K152 PolarHBondContact O-N 3.28Å |
| 153 | Q | 88.3 | Confident | 86.1 | Confident | 71 Ų | 71 | 85.6 Ų | 85.6 | 33% | 0.332 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -81 | -30.6 | 173.1 | -59.8 | -49.7 | -51.1 | 0 | 0 | 112 | K53 Y149 R150 L151 K156 | K53-Q153 PolarHBondContact O-NE2 3.1Å; K53-Q153 VanDerWaalsContact O-NE2 3.15Å; Y149-Q153 HydrophobicContact CE1-CG 4.17Å; Y149-Q153 HydrophobicContact CE2-CG 4.09Å; Y149-Q153 WeakPolarHBondContact O-CG 3.26Å; Y149-Q153 PolarHBondContact O-N 2.82Å; R150-Q153 WeakPolarHBondContact O-CB 3.37Å; R150-Q153 PolarHBondContact O-N 2.99Å; L151-Q153 PolarHBondContact O-N 2.78Å; Q153-K156 WeakPolarHBondContact O-CB 3.47Å |
| 154 | E | 85.4 | Confident | 85.3 | Confident | 132 Ų | 132 | 86.1 Ų | 86.1 | 62% | 0.617 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -76.6 | -35.7 | -179.7 | -71.9 | 176.3 | -171.8 | 0 | 0 | 113.3 | R150 L151 K156 K157 | R150-E154 PolarHBondContact O-N 2.76Å; R150-E154 VanDerWaalsContact O-N 3.12Å; L151-E154 PolarHBondContact O-N 2.83Å; L151-E154 VanDerWaalsContact O-N 3.07Å; E154-K156 PolarHBondContact O-N 2.78Å; E154-K157 PolarHBondContact O-N 2.77Å |
| 155 | E | 73.5 | Confident | 84.5 | Confident | 167 Ų | 167 | 90.4 Ų | 90.4 | 78% | 0.78 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -7.4 | 174.4 | -72.8 | -178.9 | 168.7 | 0 | 0 | 114.2 | L151 | L151-E155 PolarHBondContact O-N 2.98Å; L151-E155 VanDerWaalsContact O-N 3.09Å |
| 156 | K | 56.8 | Low | 83.5 | Confident | 167 Ų | 167 | 97.9 Ų | 97.9 | 73% | 0.726 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -7.6 | 177.6 | -161.5 | -175.5 | 171.5 | -169.8 | 0 | 113.3 | Q153 E154 | Q153-K156 WeakPolarHBondContact O-CB 3.47Å; E154-K156 PolarHBondContact O-N 2.78Å |
| 157 | K | 44.4 | Very low | 82.4 | Confident | 258 Ų | 258 | 106.7 Ų | 106.7 | 100% | 1.122 | 50% | 0.496 | S | S | * | . | trans | -93 | 0 | -179.3 | -120.9 | -176.7 | -177.9 | -177.6 | 0 | 111.9 | E154 | E154-K157 PolarHBondContact O-N 2.77Š|
Retrieved 157 of 157 residues in 33 ms
(Link to these results)