| 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 | 54.4 | Low | 56.3 | Low | 195 Ų | 195 | 127.3 Ų | 127.3 | 96% | 0.961 | 65% | 0.651 | S | S | * | * | 0 | -74.1 | 0 | -71.3 | 168.7 | 179.7 | 0 | 0 | 112.7 | R3 C4 L5 | M1-R3 PolarHBondContact O-N 3.1Å; M1-R3 VanDerWaalsContact O-N 3.11Å; M1-C4 WeakPolarHBondContact O-CA 3.49Å; M1-C4 VanDerWaalsContact O-CB 3.32Å; M1-C4 WeakPolarHBondContact O-CB 3.41Å; M1-C4 PolarHBondContact O-N 3.05Å; M1-L5 PolarHBondContact O-N 3.29Å | |||
| 2 | A | 53.3 | Low | 56.3 | Low | 77 Ų | 77 | 122.6 Ų | 122.6 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -46.6 | -46.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | C4 L5 N6 | A2-C4 VanDerWaalsContact C-N 3.26Å; A2-C4 PolarHBondContact O-N 3.03Å; A2-L5 PolarHBondContact O-N 3.07Å; A2-N6 PolarHBondContact O-N 3.23Å; A2-N6 VanDerWaalsContact O-N 3.16Å |
| 3 | R | 60 | Low | 56.2 | Low | 234 Ų | 234 | 125.5 Ų | 125.5 | 88% | 0.883 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61 | -29.7 | 177.2 | -64.6 | -175.9 | -174 | 162.5 | 1.6 | 114.3 | M1 | M1-R3 PolarHBondContact O-N 3.1Å; M1-R3 VanDerWaalsContact O-N 3.11Å |
| 4 | C | 57 | Low | 55.7 | Low | 73 Ų | 73 | 126.8 Ų | 126.8 | 49% | 0.493 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -77.4 | -40.8 | 179.5 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | M1 A2 N6 S7 Y8 | M1-C4 WeakPolarHBondContact O-CA 3.49Å; M1-C4 VanDerWaalsContact O-CB 3.32Å; M1-C4 WeakPolarHBondContact O-CB 3.41Å; M1-C4 PolarHBondContact O-N 3.05Å; A2-C4 VanDerWaalsContact C-N 3.26Å; A2-C4 PolarHBondContact O-N 3.03Å; C4-N6 PolarHBondContact O-N 3.03Å; C4-S7 PolarHBondContact O-N 2.88Å; C4-Y8 PolarHBondContact O-N 3.42Å |
| 5 | L | 58.1 | Low | 55.5 | Low | 122 Ų | 122 | 130.6 Ų | 130.6 | 64% | 0.639 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -63.7 | -40.2 | 175.7 | -65.2 | 173.2 | 0 | 0 | 0 | 112.3 | M1 A2 S7 Y8 A9 | M1-L5 PolarHBondContact O-N 3.29Å; A2-L5 PolarHBondContact O-N 3.07Å; L5-S7 VanDerWaalsContact C-N 3.3Å; L5-S7 PolarHBondContact O-N 3.27Å; L5-Y8 PolarHBondContact O-N 3.2Å; L5-Y8 VanDerWaalsContact O-N 3.16Å; L5-A9 PolarHBondContact O-N 3.23Å |
| 6 | N | 54.9 | Low | 55.4 | Low | 99 Ų | 99 | 129.7 Ų | 129.7 | 53% | 0.529 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -60.2 | -38.3 | 174.8 | -88.7 | 32.5 | 0 | 0 | 0 | 112.7 | A2 C4 Y8 A9 Q10 | A2-N6 PolarHBondContact O-N 3.23Å; A2-N6 VanDerWaalsContact O-N 3.16Å; C4-N6 PolarHBondContact O-N 3.03Å; N6-Y8 PolarHBondContact O-N 3.02Å; N6-A9 PolarHBondContact O-N 3.19Å; N6-Q10 WeakPolarHBondContact O-CB 3.24Å; N6-Q10 WeakPolarHBondContact O-CG 3.32Å; N6-Q10 PolarHBondContact O-N 2.92Å |
| 7 | S | 60 | Low | 55.4 | Low | 82 Ų | 82 | 130.8 Ų | 130.8 | 57% | 0.573 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -64.1 | -29.1 | 178 | -167.9 | 0 | 0 | 0 | 0 | 112.8 | C4 L5 K11 | C4-S7 PolarHBondContact O-N 2.88Å; L5-S7 VanDerWaalsContact C-N 3.3Å; L5-S7 PolarHBondContact O-N 3.27Å; S7-K11 WeakPolarHBondContact O-CB 3.44Å |
| 8 | Y | 54.7 | Low | 55.5 | Low | 179 Ų | 179 | 133.2 Ų | 133.2 | 70% | 0.702 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -78.2 | -44.3 | 175 | -153.3 | -88.9 | 0 | 0 | 0 | 110.9 | C4 L5 N6 Q10 K11 A12 | C4-Y8 PolarHBondContact O-N 3.42Å; L5-Y8 PolarHBondContact O-N 3.2Å; L5-Y8 VanDerWaalsContact O-N 3.16Å; N6-Y8 PolarHBondContact O-N 3.02Å; Y8-Q10 PolarHBondContact O-N 3.02Å; Y8-K11 PolarHBondContact O-N 3.13Å; Y8-A12 WeakPolarHBondContact O-CB 3.45Å; Y8-A12 PolarHBondContact O-N 3.23Å |
| 9 | A | 57.1 | Low | 55.7 | Low | 57 Ų | 57 | 132.8 Ų | 132.8 | 47% | 0.471 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -65.4 | -35.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L5 N6 M13 | L5-A9 PolarHBondContact O-N 3.23Å; N6-A9 PolarHBondContact O-N 3.19Å; A9-M13 WeakPolarHBondContact O-CG 3.23Å |
| 10 | Q | 53.5 | Low | 55.6 | Low | 142 Ų | 142 | 136.1 Ų | 136.1 | 66% | 0.664 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -80.1 | -28.4 | 180 | -68.3 | -179.1 | -89.9 | 0 | 0 | 113 | N6 Y8 | N6-Q10 WeakPolarHBondContact O-CB 3.24Å; N6-Q10 WeakPolarHBondContact O-CG 3.32Å; N6-Q10 PolarHBondContact O-N 2.92Å; Y8-Q10 PolarHBondContact O-N 3.02Å |
| 11 | K | 55.8 | Low | 55.6 | Low | 140 Ų | 140 | 136.1 Ų | 136.1 | 61% | 0.609 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -80 | -25.8 | 177.2 | -153 | 179.2 | 179.2 | -172.6 | 0 | 112.5 | S7 Y8 M13 E140 | S7-K11 WeakPolarHBondContact O-CB 3.44Å; Y8-K11 PolarHBondContact O-N 3.13Å; K11-M13 PolarHBondContact O-N 2.92Å; K11-E140 IonicContact NZ-OE1 3.71Å; K11-E140 PolarHBondContact NZ-OE1 3.41Å |
| 12 | A | 56.8 | Low | 55.8 | Low | 71 Ų | 71 | 132.5 Ų | 132.5 | 59% | 0.587 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 2.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y8 | Y8-A12 WeakPolarHBondContact O-CB 3.45Å; Y8-A12 PolarHBondContact O-N 3.23Å |
| 13 | M | 54.7 | Low | 56.2 | Low | 160 Ų | 160 | 137.1 Ų | 137.1 | 79% | 0.788 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 2.7 | -179.5 | -66.4 | -67 | -56.7 | 0 | 0 | 113.2 | A9 K11 E15 | A9-M13 WeakPolarHBondContact O-CG 3.23Å; K11-M13 PolarHBondContact O-N 2.92Å; M13-E15 VanDerWaalsContact C-N 3.31Å; M13-E15 PolarHBondContact O-N 2.96Å |
| 14 | H | 49.1 | Very low | 56.2 | Low | 144 Ų | 144 | 132.4 Ų | 132.4 | 67% | 0.667 | 67% | 0.672 | S | S | * | * | trans | -95.3 | 66.6 | 171.6 | -146.5 | -81.9 | 0 | 0 | 0 | 109 | E16 | H14-E16 IonicContact CE1-OE1 3.65Å; H14-E16 PolarHBondContact CE1-OE1 3.39Å; H14-E16 IonicContact ND1-OE1 2.84Å; H14-E16 PolarHBondContact ND1-OE1 3.43Å; H14-E16 PolarHBondContact O-N 3.09Å; H14-E16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | E | 53.4 | Low | 56.3 | Low | 184 Ų | 184 | 137.9 Ų | 137.9 | 86% | 0.86 | 69% | 0.69 | S | S | * | * | trans | -76.4 | 95 | 176.3 | -167.1 | 144.2 | -140.8 | 0 | 0 | 107.9 | M13 H17 | M13-E15 VanDerWaalsContact C-N 3.31Å; M13-E15 PolarHBondContact O-N 2.96Å; E15-H17 PolarHBondContact O-N 2.95Å | ||
| 16 | E | 53.9 | Low | 56.5 | Low | 116 Ų | 116 | 139.3 Ų | 139.3 | 54% | 0.542 | 70% | 0.699 | S | S | . | * | trans | -55.6 | 123.9 | 176.2 | -66.4 | -67.6 | 138.5 | 0 | 0 | 109.7 | H14 Y18 | H14-E16 IonicContact CE1-OE1 3.65Å; H14-E16 PolarHBondContact CE1-OE1 3.39Å; H14-E16 IonicContact ND1-OE1 2.84Å; H14-E16 PolarHBondContact ND1-OE1 3.43Å; H14-E16 PolarHBondContact O-N 3.09Å; H14-E16 VanDerWaalsContact O-N 3.11Å; E16-Y18 VanDerWaalsContact C-N 3.28Å; E16-Y18 HydrophobicContact CB-CD2 4.09Å; E16-Y18 HydrophobicContact CB-CE2 3.87Å; E16-Y18 WeakPolarHBondContact O-CD2 3.27Å; E16-Y18 PolarHBondContact O-N 3.29Å | ||
| 17 | H | 54.2 | Low | 56.8 | Low | 149 Ų | 149 | 142.5 Ų | 142.5 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | trans | -71.4 | 85 | 173.9 | -172.4 | -90.5 | 0 | 0 | 0 | 108.9 | E15 E19 | E15-H17 PolarHBondContact O-N 2.95Å; H17-E19 IonicContact CE1-OE1 3.72Å; H17-E19 PolarHBondContact CE1-OE1 2.89Å; H17-E19 IonicContact CE1-OE2 3.94Å; H17-E19 PolarHBondContact CE1-OE2 3.15Å; H17-E19 IonicContact ND1-OE1 2.71Å; H17-E19 PolarHBondContact ND1-OE1 2.85Å; H17-E19 IonicContact ND1-OE2 3.61Å; H17-E19 PolarHBondContact O-N 3.47Å | ||
| 18 | Y | 58.6 | Low | 56.9 | Low | 174 Ų | 174 | 144.9 Ų | 144.9 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | trans | -68.8 | 108.8 | 168.8 | -79.2 | -86.5 | 0 | 0 | 0 | 108.4 | E16 E20 | E16-Y18 VanDerWaalsContact C-N 3.28Å; E16-Y18 HydrophobicContact CB-CD2 4.09Å; E16-Y18 HydrophobicContact CB-CE2 3.87Å; E16-Y18 WeakPolarHBondContact O-CD2 3.27Å; E16-Y18 PolarHBondContact O-N 3.29Å; Y18-E20 PolarHBondContact O-N 2.78Å | ||
| 19 | E | 57.9 | Low | 57.4 | Low | 126 Ų | 126 | 144.3 Ų | 144.3 | 59% | 0.589 | 73% | 0.73 | S | S | * | * | trans | -54.5 | 130.5 | 171.8 | -54.5 | -60 | 148 | 0 | 0 | 109.9 | H17 D21 | H17-E19 IonicContact CE1-OE1 3.72Å; H17-E19 PolarHBondContact CE1-OE1 2.89Å; H17-E19 IonicContact CE1-OE2 3.94Å; H17-E19 PolarHBondContact CE1-OE2 3.15Å; H17-E19 IonicContact ND1-OE1 2.71Å; H17-E19 PolarHBondContact ND1-OE1 2.85Å; H17-E19 IonicContact ND1-OE2 3.61Å; H17-E19 PolarHBondContact O-N 3.47Å; E19-D21 PolarHBondContact O-N 2.94Å | ||
| 20 | E | 54 | Low | 57.7 | Low | 198 Ų | 198 | 147.8 Ų | 147.8 | 93% | 0.925 | 74% | 0.741 | S | S | * | * | trans | -80.7 | 54.8 | 176.8 | -67.7 | -170.9 | 124.2 | 0 | 0 | 111.2 | Y18 | Y18-E20 PolarHBondContact O-N 2.78Š| ||
| 21 | D | 56.1 | Low | 57.9 | Low | 136 Ų | 136 | 148.1 Ų | 148.1 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -98.2 | 74.5 | -178.8 | -80.4 | -33.6 | 0 | 0 | 0 | 112.2 | E19 | E19-D21 PolarHBondContact O-N 2.94Š| ||
| 22 | V | 59.7 | Low | 58.1 | Low | 119 Ų | 119 | 147.7 Ų | 147.7 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | trans | -164.9 | 81.8 | 153.1 | -99.1 | 0 | 0 | 0 | 0 | 111.5 | D24 | V22-D24 VanDerWaalsContact C-N 3.26Å; V22-D24 WeakPolarHBondContact CG1-OD2 3.45Å; V22-D24 PolarHBondContact O-N 3.01Å | ||
| 23 | D | 59.9 | Low | 58.2 | Low | 174 Ų | 174 | 152 Ų | 152 | 93% | 0.93 | 77% | 0.769 | S | S | * | * | trans | -80.9 | 73 | 158.2 | -80.6 | -40 | 0 | 0 | 0 | 109.4 | ||||
| 24 | D | 61 | Low | 58.4 | Low | 136 Ų | 136 | 147.1 Ų | 147.1 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -108.9 | 19 | 177.7 | -86.4 | -35.1 | 0 | 0 | 0 | 112.6 | V22 D26 | V22-D24 VanDerWaalsContact C-N 3.26Å; V22-D24 WeakPolarHBondContact CG1-OD2 3.45Å; V22-D24 PolarHBondContact O-N 3.01Å; D24-D26 PolarHBondContact O-N 3.45Å | ||
| 25 | E | 60 | Low | 58.5 | Low | 187 Ų | 187 | 148.9 Ų | 148.9 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -89.5 | 77.6 | 169.8 | -71.4 | -166.9 | -163.7 | 0 | 0 | 110.8 | ||||
| 26 | D | 61.2 | Low | 58.8 | Low | 153 Ų | 153 | 149.5 Ų | 149.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -165.9 | 41.5 | 163.4 | -106.6 | -6.6 | 0 | 0 | 0 | 112.6 | D24 | D24-D26 PolarHBondContact O-N 3.45Š| ||
| 27 | L | 60.6 | Low | 59 | Low | 165 Ų | 165 | 147.2 Ų | 147.2 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -100.8 | 81.1 | 163.6 | -73.3 | -177.5 | 0 | 0 | 0 | 110 | D29 | L27-D29 PolarHBondContact O-N 3.36Š| ||
| 28 | D | 62.8 | Low | 59.1 | Low | 133 Ų | 133 | 146.4 Ų | 146.4 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | -65.1 | 114.7 | 160.7 | -80.6 | -43 | 0 | 0 | 0 | 108.6 | D30 | D28-D30 HydrophobicContact CB-CB 4.44Å; D28-D30 PolarHBondContact O-N 3.42Å | ||
| 29 | D | 64.4 | Low | 58.7 | Low | 166 Ų | 166 | 143 Ų | 143 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -69.8 | 61.2 | 164.1 | -77.8 | -48.2 | 0 | 0 | 0 | 109.1 | L27 D31 | L27-D29 PolarHBondContact O-N 3.36Å; D29-D31 PolarHBondContact O-N 3.48Å | ||
| 30 | D | 63.5 | Low | 58.7 | Low | 131 Ų | 131 | 143.9 Ų | 143.9 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -71.2 | 118.1 | -176.9 | -127.1 | 4 | 0 | 0 | 0 | 109.5 | D28 V32 | D28-D30 HydrophobicContact CB-CB 4.44Å; D28-D30 PolarHBondContact O-N 3.42Å; D30-V32 PolarHBondContact O-N 2.9Å; D30-V32 VanDerWaalsContact O-N 3.11Å | ||
| 31 | D | 57.4 | Low | 58.8 | Low | 148 Ų | 148 | 145 Ų | 145 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -41.5 | 109.2 | -177.2 | -66.3 | -61.2 | 0 | 0 | 0 | 113.5 | D29 | D29-D31 PolarHBondContact O-N 3.48Š| ||
| 32 | V | 61 | Low | 59 | Low | 131 Ų | 131 | 146.3 Ų | 146.3 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -114.7 | 79.3 | 162.4 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | D30 G34 | D30-V32 PolarHBondContact O-N 2.9Å; D30-V32 VanDerWaalsContact O-N 3.11Å; V32-G34 PolarHBondContact O-N 3.3Å | ||
| 33 | D | 57.9 | Low | 59 | Low | 161 Ų | 161 | 149.4 Ų | 149.4 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -71 | 53.8 | 161.5 | 55 | -24.8 | 0 | 0 | 0 | 111 | ||||
| 34 | G | 59.2 | Low | 58.9 | Low | 59 Ų | 59 | 148.9 Ų | 148.9 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | trans | -117 | 48.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V32 | V32-G34 PolarHBondContact O-N 3.3Š| ||
| 35 | Y | 52.8 | Low | 58.6 | Low | 180 Ų | 180 | 149.6 Ų | 149.6 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -133.4 | 58.9 | 172.8 | -160 | -103.8 | 0 | 0 | 0 | 113 | L38 | Y35-L38 VanDerWaalsContact OH-CD1 3.23Å; Y35-L38 WeakPolarHBondContact OH-CD1 3.42Å; Y35-L38 WeakPolarHBondContact OH-CG 3.42Å | ||
| 36 | E | 58 | Low | 58.4 | Low | 197 Ų | 197 | 147.4 Ų | 147.4 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -77.9 | 145.7 | 148.6 | -64.5 | -170.1 | 156.8 | 0 | 0 | 108.9 | ||||
| 37 | G | 58.4 | Low | 57.9 | Low | 68 Ų | 68 | 145.8 Ų | 145.8 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 116.2 | 27.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 38 | L | 57.8 | Low | 57.2 | Low | 132 Ų | 132 | 141.3 Ų | 141.3 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | -131.6 | 64.3 | 153.6 | -80.3 | -165.8 | 0 | 0 | 0 | 112.3 | Y35 | Y35-L38 VanDerWaalsContact OH-CD1 3.23Å; Y35-L38 WeakPolarHBondContact OH-CD1 3.42Å; Y35-L38 WeakPolarHBondContact OH-CG 3.42Å | ||
| 39 | S | 50.1 | Low | 56.3 | Low | 102 Ų | 102 | 140.3 Ų | 140.3 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -112.9 | 91.6 | 143.1 | 58 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 40 | D | 57 | Low | 55.3 | Low | 145 Ų | 145 | 137 Ų | 137 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | -66 | 146.6 | 176.3 | -141.6 | -18.4 | 0 | 0 | 0 | 109.3 | D42 | D40-D42 PolarHBondContact O-N 2.68Š| ||
| 41 | Y | 56.1 | Low | 54.4 | Low | 222 Ų | 222 | 134.3 Ų | 134.3 | 87% | 0.871 | 78% | 0.776 | S | S | * | * | trans | -80.5 | 105.9 | -163.2 | -71.2 | -103.1 | 0 | 0 | 0 | 111.7 | ||||
| 42 | D | 59.7 | Low | 54.1 | Low | 164 Ų | 164 | 137.2 Ų | 137.2 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -106.1 | 38.3 | -179.9 | -160.7 | 24.2 | 0 | 0 | 0 | 112.2 | D40 | D40-D42 PolarHBondContact O-N 2.68Š| ||
| 43 | E | 59.5 | Low | 53.1 | Low | 184 Ų | 184 | 134.2 Ų | 134.2 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -157.8 | 75.8 | -175.8 | -134.8 | 167 | -161.2 | 0 | 0 | 113.2 | ||||
| 44 | D | 57.6 | Low | 52.8 | Low | 163 Ų | 163 | 131.8 Ų | 131.8 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | -159.3 | 75.6 | 163.8 | -131.2 | -13 | 0 | 0 | 0 | 113 | ||||
| 45 | D | 56.5 | Low | 52.1 | Low | 150 Ų | 150 | 136.1 Ų | 136.1 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -152.3 | 117.6 | 155.6 | -132.6 | -16.6 | 0 | 0 | 0 | 113.8 | ||
| 46 | I | 55.4 | Low | 51.6 | Low | 141 Ų | 141 | 132.1 Ų | 132.1 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | trans | 59.7 | 78.8 | 164.2 | -35.2 | -173.7 | 0 | 0 | 0 | 118.8 | ||||
| 47 | P | 50.1 | Low | 51.2 | Low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -69.7 | 135.7 | 144.4 | 31.5 | -32.7 | 0 | 0 | 0 | 110.4 | ||||
| 48 | G | 45.2 | Very low | 50.4 | Low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -72.5 | 131.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 49 | S | 45.2 | Very low | 49.8 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 64.1 | 91.8 | 161.6 | -177.6 | 0 | 0 | 0 | 0 | 118.8 | ||
| 50 | S | 42.5 | Very low | 49.5 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | 45.7 | 87.4 | 130.5 | -162.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 51 | G | 44.2 | Very low | 48.8 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | -147.1 | 120.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 52 | Y | 51.3 | Low | 48.6 | Very low | 209 Ų | 209 | 124.7 Ų | 124.7 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | trans | -107.7 | 126.6 | -163.7 | 9.9 | -94.7 | 0 | 0 | 0 | 113.4 | ||||
| 53 | G | 41.7 | Very low | 47.9 | Very low | 68 Ų | 68 | 123.4 Ų | 123.4 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | 151.3 | 122.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 54 | S | 49.7 | Very low | 47.2 | Very low | 110 Ų | 110 | 118.8 Ų | 118.8 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | cis | 49.8 | 103.9 | 45 | -166.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 55 | H | 45.7 | Very low | 46.9 | Very low | 150 Ų | 150 | 119.5 Ų | 119.5 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | -154.4 | 141.6 | 65.6 | 31 | -88 | 0 | 0 | 0 | 109.8 | F57 | H55-F57 HydrophobicContact CB-CE2 3.94Å; H55-F57 HydrophobicContact CB-CZ 3.77Å | |||
| 56 | S | 42.9 | Very low | 46.4 | Very low | 97 Ų | 97 | 118.5 Ų | 118.5 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | 75.7 | 158.6 | 52.9 | -157.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 57 | F | 48.8 | Very low | 46.1 | Very low | 175 Ų | 175 | 116.6 Ų | 116.6 | 77% | 0.768 | 78% | 0.781 | S | S | * | * | trans | 58.7 | 126 | -172.3 | 8 | -78.7 | 0 | 0 | 0 | 115.8 | H55 | H55-F57 HydrophobicContact CB-CE2 3.94Å; H55-F57 HydrophobicContact CB-CZ 3.77Å | ||
| 58 | G | 41.5 | Very low | 46.1 | Very low | 80 Ų | 80 | 117.5 Ų | 117.5 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | cis | 104.6 | 103.3 | 2.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 59 | N | 44.8 | Very low | 46.5 | Very low | 159 Ų | 159 | 122 Ų | 122 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -153.2 | 135.4 | 166.6 | -170.4 | 19.1 | 0 | 0 | 0 | 111.1 | ||||
| 60 | A | 45.2 | Very low | 46.9 | Very low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -132.8 | 131.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 61 | G | 41.4 | Very low | 47.5 | Very low | 78 Ų | 78 | 135.4 Ų | 135.4 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 83.4 | 110.7 | 169 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 62 | S | 50.8 | Low | 47.8 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -156.2 | 153.8 | 149 | -152.1 | 0 | 0 | 0 | 0 | 110.4 | G64 | S62-G64 PolarHBondContact O-N 2.76Š| ||
| 63 | D | 46.7 | Very low | 47.7 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | -65.8 | 129.3 | -170.7 | -73.3 | -71.9 | 0 | 0 | 0 | 113.8 | K65 | D63-K65 PolarHBondContact O-N 3.28Š| ||
| 64 | G | 44.5 | Very low | 48 | Very low | 88 Ų | 88 | 143.4 Ų | 143.4 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | trans | -69.7 | 86.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | S62 | S62-G64 PolarHBondContact O-N 2.76Š| ||
| 65 | K | 51.6 | Low | 48 | Very low | 177 Ų | 177 | 146.8 Ų | 146.8 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | -130.2 | 120.8 | 172.8 | -77.4 | 175.1 | -179.4 | 160.4 | 0 | 112.5 | D63 | D63-K65 PolarHBondContact O-N 3.28Š| ||
| 66 | C | 45.7 | Very low | 48.3 | Very low | 129 Ų | 129 | 145 Ų | 145 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | trans | 56.5 | 99.6 | 158.5 | -157.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 67 | A | 49.5 | Very low | 48.7 | Very low | 102 Ų | 102 | 149.9 Ų | 149.9 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | trans | -144.5 | 45.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 68 | D | 48.7 | Very low | 48.6 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 74% | 0.743 | 84% | 0.839 | S | S | * | * | trans | -70.3 | 177 | 164.7 | -150.2 | -31.9 | 0 | 0 | 0 | 110.1 | ||||
| 69 | L | 53.8 | Low | 48.8 | Very low | 165 Ų | 165 | 144.6 Ų | 144.6 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | S | Bend | trans | 75.1 | 31 | 173.6 | -46.3 | 178.6 | 0 | 0 | 0 | 117.9 | ||
| 70 | R | 53.2 | Low | 49 | Very low | 238 Ų | 238 | 141.8 Ų | 141.8 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | trans | -131.8 | 16.8 | 169.4 | -138.1 | -179.4 | -173.6 | 172.6 | 3.4 | 118.4 | ||||
| 71 | R | 56.3 | Low | 49.5 | Very low | 251 Ų | 251 | 142.7 Ų | 142.7 | 95% | 0.947 | 82% | 0.817 | S | S | * | * | trans | -121.9 | 48.8 | 172.3 | -68.3 | -170.7 | -177 | -98.5 | 4.2 | 113.6 | ||||
| 72 | Q | 50.5 | Low | 50 | Low | 169 Ų | 169 | 148.2 Ų | 148.2 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -114.1 | 141.3 | 160.8 | -73.3 | -163.6 | 6.7 | 0 | 0 | 110.6 | ||||
| 73 | R | 48.2 | Very low | 50.1 | Low | 227 Ų | 227 | 147.2 Ų | 147.2 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | 64.8 | 92.9 | 171.6 | -53.9 | 174.4 | -166.3 | -121.8 | -0.8 | 116 | ||||
| 74 | S | 47.7 | Very low | 50.4 | Low | 123 Ų | 123 | 145.2 Ų | 145.2 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | -150.2 | 104.7 | 120.2 | -95.3 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 75 | I | 50.9 | Low | 50.9 | Low | 181 Ų | 181 | 146.9 Ų | 146.9 | 93% | 0.928 | 78% | 0.783 | S | S | * | * | trans | -80.2 | 115.6 | 166.3 | 40.9 | 169.2 | 0 | 0 | 0 | 107.6 | ||||
| 76 | S | 50.7 | Low | 51.4 | Low | 112 Ų | 112 | 140.8 Ų | 140.8 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -146.5 | 130.3 | 174.2 | -169.9 | 0 | 0 | 0 | 0 | 108.6 | G78 | S76-G78 PolarHBondContact O-N 2.79Š| ||
| 77 | E | 51.1 | Low | 52.5 | Low | 201 Ų | 201 | 136.6 Ų | 136.6 | 94% | 0.939 | 75% | 0.745 | S | S | * | * | trans | -70 | 119.4 | 179 | -62.5 | 164.4 | 128.7 | 0 | 0 | 108.7 | ||||
| 78 | G | 47.5 | Very low | 53.8 | Low | 74 Ų | 74 | 136.6 Ų | 136.6 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | trans | 174.4 | 25.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | S76 | S76-G78 PolarHBondContact O-N 2.79Š| ||
| 79 | S | 46.3 | Very low | 55.3 | Low | 69 Ų | 69 | 134 Ų | 134 | 48% | 0.483 | 71% | 0.713 | S | S | . | * | trans | -158.3 | 71 | 165.2 | -141.9 | 0 | 0 | 0 | 0 | 115.1 | V81 Y82 | S79-V81 PolarHBondContact O-N 2.97Å; S79-V81 VanDerWaalsContact O-N 3.11Å; S79-Y82 WeakPolarHBondContact OG-CD2 3.49Å | ||
| 80 | A | 49.2 | Very low | 56.9 | Low | 101 Ų | 101 | 131.8 Ų | 131.8 | 84% | 0.835 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 18.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 81 | V | 55.5 | Low | 58.8 | Low | 112 Ų | 112 | 128.1 Ų | 128.1 | 68% | 0.679 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -26.7 | -169.8 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | S79 C83 | S79-V81 PolarHBondContact O-N 2.97Å; S79-V81 VanDerWaalsContact O-N 3.11Å; V81-C83 PolarHBondContact O-N 3.22Å |
| 82 | Y | 50.9 | Low | 60.6 | Low | 194 Ų | 194 | 124.3 Ų | 124.3 | 76% | 0.761 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 16.3 | 177.8 | -76.3 | -74.5 | 0 | 0 | 0 | 114.8 | S79 | S79-Y82 WeakPolarHBondContact OG-CD2 3.49Š|
| 83 | C | 52.7 | Low | 62.7 | Low | 102 Ų | 102 | 120.8 Ų | 120.8 | 69% | 0.689 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | 8.7 | -177.8 | -63.7 | 0 | 0 | 0 | 0 | 114.6 | V81 | V81-C83 PolarHBondContact O-N 3.22Š|
| 84 | V | 54.6 | Low | 65 | Low | 95 Ų | 95 | 115.7 Ų | 115.7 | 58% | 0.576 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -90 | -55.9 | 175.1 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | A86 G87 | V84-A86 VanDerWaalsContact C-N 3.31Å; V84-A86 PolarHBondContact O-N 2.98Å; V84-G87 PolarHBondContact O-N 2.85Å |
| 85 | E | 54.1 | Low | 67.3 | Low | 123 Ų | 123 | 115.7 Ų | 115.7 | 58% | 0.575 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -51.6 | -43.9 | -178.2 | -51.3 | -47.3 | 113.5 | 0 | 0 | 113.6 | G87 E88 D89 | E85-G87 PolarHBondContact O-N 3.4Å; E85-G87 VanDerWaalsContact O-N 3.13Å; E85-E88 WeakPolarHBondContact O-CA 3.3Å; E85-E88 WeakPolarHBondContact O-CB 3.3Å; E85-E88 PolarHBondContact O-N 2.7Å; E85-D89 PolarHBondContact O-N 2.11Å |
| 86 | A | 61.4 | Low | 69.6 | Low | 50 Ų | 50 | 109.7 Ų | 109.7 | 41% | 0.413 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58 | -30.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V84 N90 | V84-A86 VanDerWaalsContact C-N 3.31Å; V84-A86 PolarHBondContact O-N 2.98Å; A86-N90 WeakPolarHBondContact O-CB 3.31Å; A86-N90 PolarHBondContact O-N 3.03Å; A86-N90 PolarHBondContact O-OD1 3.49Å |
| 87 | G | 70.6 | Confident | 71.8 | Confident | 40 Ų | 40 | 109.8 Ų | 109.8 | 41% | 0.412 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -73.6 | -29.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V84 E85 R91 | V84-G87 PolarHBondContact O-N 2.85Å; E85-G87 PolarHBondContact O-N 3.4Å; E85-G87 VanDerWaalsContact O-N 3.13Å; G87-R91 PolarHBondContact O-N 2.93Å |
| 88 | E | 75 | Confident | 74.1 | Confident | 102 Ų | 102 | 104.6 Ų | 104.6 | 48% | 0.477 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -76.4 | -44.6 | 175.1 | -61.4 | -91.4 | 115 | 0 | 0 | 110.3 | E85 R91 R92 | E85-E88 WeakPolarHBondContact O-CA 3.3Å; E85-E88 WeakPolarHBondContact O-CB 3.3Å; E85-E88 PolarHBondContact O-N 2.7Å; E88-R91 WeakPolarHBondContact O-CB 3.49Å; E88-R91 PolarHBondContact O-N 2.78Å; E88-R91 VanDerWaalsContact O-N 3.1Å; E88-R91 IonicContact OE1-CZ 3.84Å; E88-R91 IonicContact OE1-NH1 2.59Å; E88-R91 PolarHBondContact OE1-NH1 3.1Å; E88-R91 IonicContact OE1-NH2 3.52Å; E88-R92 PolarHBondContact O-N 3.27Å |
| 89 | D | 80.1 | Confident | 76.5 | Confident | 85 Ų | 85 | 103.4 Ų | 103.4 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 174.4 | -78.2 | -32.1 | 0 | 0 | 0 | 111.6 | E85 R91 R92 D93 | E85-D89 PolarHBondContact O-N 2.11Å; D89-R91 PolarHBondContact O-N 2.99Å; D89-R92 PolarHBondContact O-N 3.19Å; D89-R92 VanDerWaalsContact O-N 3.15Å; D89-D93 WeakPolarHBondContact O-CB 3.34Å; D89-D93 PolarHBondContact O-N 3.04Å |
| 90 | N | 88.7 | Confident | 79 | Confident | 119 Ų | 119 | 106.3 Ų | 106.3 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.3 | -33 | 174.4 | -84.8 | 134 | 0 | 0 | 0 | 112.8 | A86 H94 | A86-N90 WeakPolarHBondContact O-CB 3.31Å; A86-N90 PolarHBondContact O-N 3.03Å; A86-N90 PolarHBondContact O-OD1 3.49Å; N90-H94 VanDerWaalsContact O-CB 3.28Å; N90-H94 WeakPolarHBondContact O-CB 3.3Å; N90-H94 PolarHBondContact O-N 3.15Å; N90-H94 VanDerWaalsContact O-N 3.07Å |
| 91 | R | 92.1 | Very high | 81.3 | Confident | 160 Ų | 160 | 109 Ų | 109 | 60% | 0.604 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71 | -45.1 | 174.7 | -172.1 | -171 | -64.7 | 135.4 | 3.6 | 111.4 | G87 E88 D89 H94 H95 | G87-R91 PolarHBondContact O-N 2.93Å; E88-R91 WeakPolarHBondContact O-CB 3.49Å; E88-R91 PolarHBondContact O-N 2.78Å; E88-R91 VanDerWaalsContact O-N 3.1Å; E88-R91 IonicContact OE1-CZ 3.84Å; E88-R91 IonicContact OE1-NH1 2.59Å; E88-R91 PolarHBondContact OE1-NH1 3.1Å; E88-R91 IonicContact OE1-NH2 3.52Å; D89-R91 PolarHBondContact O-N 2.99Å; R91-H94 PolarHBondContact O-N 3.02Å; R91-H95 WeakPolarHBondContact O-CB 3.47Å; R91-H95 PolarHBondContact O-N 2.93Å |
| 92 | R | 93.9 | Very high | 83.4 | Confident | 172 Ų | 172 | 110.5 Ų | 110.5 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.3 | -46.1 | 177.4 | 174.9 | 176.8 | -87.1 | 163.9 | -7.4 | 111.2 | E88 D89 H95 N96 | E88-R92 PolarHBondContact O-N 3.27Å; D89-R92 PolarHBondContact O-N 3.19Å; D89-R92 VanDerWaalsContact O-N 3.15Å; R92-H95 PolarHBondContact O-N 3.29Å; R92-N96 WeakPolarHBondContact O-CB 2.88Å; R92-N96 VanDerWaalsContact O-CG 3.22Å; R92-N96 PolarHBondContact O-N 2.83Å; R92-N96 PolarHBondContact O-ND2 3.12Å |
| 93 | D | 95.5 | Very high | 85.7 | Confident | 94 Ų | 94 | 107.8 Ų | 107.8 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.2 | -40 | 177.1 | -93.3 | -16.1 | 0 | 0 | 0 | 113.1 | D89 H95 N96 Q97 | D89-D93 WeakPolarHBondContact O-CB 3.34Å; D89-D93 PolarHBondContact O-N 3.04Å; D93-H95 VanDerWaalsContact C-N 3.35Å; D93-H95 PolarHBondContact O-N 3.32Å; D93-N96 PolarHBondContact O-N 3.28Å; D93-Q97 VanDerWaalsContact O-CB 3.28Å; D93-Q97 WeakPolarHBondContact O-CB 3.35Å; D93-Q97 PolarHBondContact O-N 3.35Å |
| 94 | H | 95.8 | Very high | 87.8 | Confident | 120 Ų | 120 | 105.5 Ų | 105.5 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | 174.8 | -174.8 | 57.6 | 0 | 0 | 0 | 111.7 | N90 R91 Q97 L98 | N90-H94 VanDerWaalsContact O-CB 3.28Å; N90-H94 WeakPolarHBondContact O-CB 3.3Å; N90-H94 PolarHBondContact O-N 3.15Å; N90-H94 VanDerWaalsContact O-N 3.07Å; R91-H94 PolarHBondContact O-N 3.02Å; H94-Q97 PolarHBondContact O-N 2.96Å; H94-L98 WeakPolarHBondContact O-CG 3.42Å; H94-L98 PolarHBondContact O-N 3.49Å |
| 95 | H | 97.7 | Very high | 89.9 | Confident | 123 Ų | 123 | 104.9 Ų | 104.9 | 57% | 0.569 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.5 | -49.2 | 173.9 | 178.1 | 78.4 | 0 | 0 | 0 | 111.9 | R91 R92 D93 Q97 L98 E99 | R91-H95 WeakPolarHBondContact O-CB 3.47Å; R91-H95 PolarHBondContact O-N 2.93Å; R92-H95 PolarHBondContact O-N 3.29Å; D93-H95 VanDerWaalsContact C-N 3.35Å; D93-H95 PolarHBondContact O-N 3.32Å; H95-Q97 VanDerWaalsContact C-N 3.28Å; H95-Q97 PolarHBondContact O-N 2.94Å; H95-L98 PolarHBondContact O-N 3.49Å; H95-E99 PolarHBondContact O-N 2.99Å |
| 96 | N | 97.7 | Very high | 92.1 | Very high | 56 Ų | 56 | 101.8 Ų | 101.8 | 30% | 0.299 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.6 | -41.5 | 176 | -75.2 | -26.2 | 0 | 0 | 0 | 111.9 | R92 D93 E99 R100 | R92-N96 WeakPolarHBondContact O-CB 2.88Å; R92-N96 VanDerWaalsContact O-CG 3.22Å; R92-N96 PolarHBondContact O-N 2.83Å; R92-N96 PolarHBondContact O-ND2 3.12Å; D93-N96 PolarHBondContact O-N 3.28Å; N96-E99 PolarHBondContact O-N 2.88Å; N96-R100 VanDerWaalsContact O-CG 3.29Å; N96-R100 WeakPolarHBondContact O-CG 3.49Å; N96-R100 PolarHBondContact O-N 3.41Å |
| 97 | Q | 98 | Very high | 93.8 | Very high | 113 Ų | 113 | 105.8 Ų | 105.8 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.3 | -39.3 | 179.4 | -169.6 | 65.7 | -5 | 0 | 0 | 112.6 | D93 H94 H95 K101 | D93-Q97 VanDerWaalsContact O-CB 3.28Å; D93-Q97 WeakPolarHBondContact O-CB 3.35Å; D93-Q97 PolarHBondContact O-N 3.35Å; H94-Q97 PolarHBondContact O-N 2.96Å; H95-Q97 VanDerWaalsContact C-N 3.28Å; H95-Q97 PolarHBondContact O-N 2.94Å; Q97-K101 PolarHBondContact O-N 3.07Å |
| 98 | L | 98.3 | Very high | 95.1 | Very high | 92 Ų | 92 | 107.3 Ų | 107.3 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 172.8 | -72.5 | 175.9 | 0 | 0 | 0 | 111.6 | H94 H95 K101 R102 | H94-L98 WeakPolarHBondContact O-CG 3.42Å; H94-L98 PolarHBondContact O-N 3.49Å; H95-L98 PolarHBondContact O-N 3.49Å; L98-K101 WeakPolarHBondContact O-CB 3.48Å; L98-K101 PolarHBondContact O-N 3.34Å; L98-R102 PolarHBondContact O-N 3.01Å |
| 99 | E | 98.4 | Very high | 96.2 | Very high | 50 Ų | 50 | 105.5 Ų | 105.5 | 23% | 0.234 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -73.6 | -28.5 | 179.7 | -178.1 | 51.2 | -152.1 | 0 | 0 | 112.7 | H95 N96 R102 R103 | H95-E99 PolarHBondContact O-N 2.99Å; N96-E99 PolarHBondContact O-N 2.88Å; E99-R102 IonicContact OE1-NH1 2.71Å; E99-R102 PolarHBondContact OE1-NH1 2.71Å; E99-R102 WeakPolarHBondContact OE2-CD 3.28Å; E99-R102 IonicContact OE2-CZ 3.43Å; E99-R102 IonicContact OE2-NE 2.76Å; E99-R102 IonicContact OE2-NH1 3.36Å; E99-R102 PolarHBondContact OE2-NH1 2.91Å; E99-R103 WeakPolarHBondContact O-CB 3.33Å; E99-R103 WeakPolarHBondContact O-CG 3.33Å; E99-R103 PolarHBondContact O-N 3.07Å; E99-R103 PolarHBondContact O-NE 2.96Å; E99-R103 VanDerWaalsContact O-NE 3.17Å; E99-R103 VanDerWaalsContact OE1-CG 3.3Å; E99-R103 WeakPolarHBondContact OE1-CG 3.37Å; E99-R103 IonicContact OE1-NE 3.55Å |
| 100 | R | 98.4 | Very high | 97.1 | Very high | 130 Ų | 130 | 104 Ų | 104 | 49% | 0.491 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 165.2 | -74.1 | 174.5 | -165.4 | 125.7 | 1.5 | 110.9 | N96 R103 A104 | N96-R100 VanDerWaalsContact O-CG 3.29Å; N96-R100 WeakPolarHBondContact O-CG 3.49Å; N96-R100 PolarHBondContact O-N 3.41Å; R100-R103 PolarHBondContact O-N 3.27Å; R100-A104 WeakPolarHBondContact O-CB 3.36Å; R100-A104 PolarHBondContact O-N 2.73Å |
| 101 | K | 98.6 | Very high | 97.5 | Very high | 158 Ų | 158 | 101.5 Ų | 101.5 | 69% | 0.687 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.6 | -42 | 177.5 | -174.2 | -180 | 178.2 | -177.5 | 0 | 112.2 | Q97 L98 A104 S105 | Q97-K101 PolarHBondContact O-N 3.07Å; L98-K101 WeakPolarHBondContact O-CB 3.48Å; L98-K101 PolarHBondContact O-N 3.34Å; K101-A104 PolarHBondContact O-N 2.93Å; K101-S105 PolarHBondContact O-N 3.46Å |
| 102 | R | 98.7 | Very high | 97.8 | Very high | 142 Ų | 142 | 98.5 Ų | 98.5 | 54% | 0.536 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62 | -48.3 | 175 | 176.8 | 169.7 | 162.5 | -80.5 | -4.3 | 111.6 | L98 E99 A104 S105 I106 | L98-R102 PolarHBondContact O-N 3.01Å; E99-R102 IonicContact OE1-NH1 2.71Å; E99-R102 PolarHBondContact OE1-NH1 2.71Å; E99-R102 WeakPolarHBondContact OE2-CD 3.28Å; E99-R102 IonicContact OE2-CZ 3.43Å; E99-R102 IonicContact OE2-NE 2.76Å; E99-R102 IonicContact OE2-NH1 3.36Å; E99-R102 PolarHBondContact OE2-NH1 2.91Å; R102-A104 VanDerWaalsContact C-N 3.32Å; R102-A104 PolarHBondContact O-N 3.21Å; R102-S105 PolarHBondContact O-N 3.36Å; R102-I106 HydrophobicContact CG-CD1 3.91Å; R102-I106 WeakPolarHBondContact O-CG1 3.48Å; R102-I106 PolarHBondContact O-N 3.2Å |
| 103 | R | 98.7 | Very high | 98 | Very high | 137 Ų | 137 | 93.2 Ų | 93.2 | 52% | 0.517 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 175.7 | -76.5 | 179.2 | -74.6 | 173.7 | -10.2 | 112.9 | E99 R100 I106 K107 | E99-R103 WeakPolarHBondContact O-CB 3.33Å; E99-R103 WeakPolarHBondContact O-CG 3.33Å; E99-R103 PolarHBondContact O-N 3.07Å; E99-R103 PolarHBondContact O-NE 2.96Å; E99-R103 VanDerWaalsContact O-NE 3.17Å; E99-R103 VanDerWaalsContact OE1-CG 3.3Å; E99-R103 WeakPolarHBondContact OE1-CG 3.37Å; E99-R103 IonicContact OE1-NE 3.55Å; R100-R103 PolarHBondContact O-N 3.27Å; R103-I106 PolarHBondContact O-N 2.86Å; R103-K107 WeakPolarHBondContact O-CB 3.35Å; R103-K107 PolarHBondContact O-N 2.96Å |
| 104 | A | 98.6 | Very high | 98.1 | Very high | 55 Ų | 55 | 90.6 Ų | 90.6 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R100 K101 R102 I106 K107 T108 | R100-A104 WeakPolarHBondContact O-CB 3.36Å; R100-A104 PolarHBondContact O-N 2.73Å; K101-A104 PolarHBondContact O-N 2.93Å; R102-A104 VanDerWaalsContact C-N 3.32Å; R102-A104 PolarHBondContact O-N 3.21Å; A104-I106 VanDerWaalsContact C-N 3.33Å; A104-I106 PolarHBondContact O-N 3.23Å; A104-K107 WeakPolarHBondContact O-CB 3.32Å; A104-K107 PolarHBondContact O-N 3.35Å; A104-K107 VanDerWaalsContact O-N 3.14Å; A104-T108 PolarHBondContact O-N 2.94Å; A104-T108 PolarHBondContact O-OG1 3.48Å |
| 105 | S | 98.6 | Very high | 98.2 | Very high | 82 Ų | 82 | 88.8 Ų | 88.8 | 57% | 0.573 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -59 | -42.5 | 176.9 | -164 | 0 | 0 | 0 | 0 | 112.4 | K101 R102 T108 S109 | K101-S105 PolarHBondContact O-N 3.46Å; R102-S105 PolarHBondContact O-N 3.36Å; S105-T108 PolarHBondContact O-N 3.09Å; S105-S109 PolarHBondContact O-N 3.19Å; S105-S109 VanDerWaalsContact O-N 3.14Å; S105-S109 PolarHBondContact O-OG 3.38Å |
| 106 | I | 98.5 | Very high | 98.2 | Very high | 57 Ų | 57 | 87.2 Ų | 87.2 | 29% | 0.292 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 176.6 | -68.4 | 168.1 | 0 | 0 | 0 | 110.7 | R102 R103 A104 T108 S109 Y110 | R102-I106 HydrophobicContact CG-CD1 3.91Å; R102-I106 WeakPolarHBondContact O-CG1 3.48Å; R102-I106 PolarHBondContact O-N 3.2Å; R103-I106 PolarHBondContact O-N 2.86Å; A104-I106 VanDerWaalsContact C-N 3.33Å; A104-I106 PolarHBondContact O-N 3.23Å; I106-T108 VanDerWaalsContact C-N 3.31Å; I106-T108 PolarHBondContact O-N 3.38Å; I106-S109 WeakPolarHBondContact CA-OG 3.48Å; I106-S109 PolarHBondContact O-N 3.03Å; I106-S109 PolarHBondContact O-OG 3.12Å; I106-Y110 HydrophobicContact CG2-CD2 3.78Å; I106-Y110 HydrophobicContact CG2-CE2 3.72Å; I106-Y110 WeakPolarHBondContact O-CD2 3.47Å; I106-Y110 PolarHBondContact O-N 3.12Å |
| 107 | K | 98.3 | Very high | 98.1 | Very high | 134 Ų | 134 | 84.8 Ų | 84.8 | 58% | 0.583 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -59.8 | -40.6 | 175.2 | -173.6 | 177.3 | 179.4 | 178.1 | 0 | 111.6 | R103 A104 Y110 N111 | R103-K107 WeakPolarHBondContact O-CB 3.35Å; R103-K107 PolarHBondContact O-N 2.96Å; A104-K107 WeakPolarHBondContact O-CB 3.32Å; A104-K107 PolarHBondContact O-N 3.35Å; A104-K107 VanDerWaalsContact O-N 3.14Å; K107-Y110 PolarHBondContact O-N 2.91Å; K107-N111 PolarHBondContact O-N 3.48Å; K107-N111 PolarHBondContact O-ND2 3.43Å |
| 108 | T | 98.1 | Very high | 98 | Very high | 73 Ų | 73 | 83.2 Ų | 83.2 | 45% | 0.448 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.8 | -51.8 | 174.2 | -50.6 | 0 | 0 | 0 | 0 | 111 | A104 S105 I106 Y110 N111 D112 | A104-T108 PolarHBondContact O-N 2.94Å; A104-T108 PolarHBondContact O-OG1 3.48Å; S105-T108 PolarHBondContact O-N 3.09Å; I106-T108 VanDerWaalsContact C-N 3.31Å; I106-T108 PolarHBondContact O-N 3.38Å; T108-Y110 PolarHBondContact O-N 3.39Å; T108-Y110 VanDerWaalsContact O-N 3.16Å; T108-N111 WeakPolarHBondContact O-CA 3.36Å; T108-N111 WeakPolarHBondContact O-CB 3.38Å; T108-N111 PolarHBondContact O-N 2.84Å; T108-D112 PolarHBondContact O-N 3.3Å |
| 109 | S | 98.4 | Very high | 97.8 | Very high | 63 Ų | 63 | 82.1 Ų | 82.1 | 44% | 0.441 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.2 | -28.8 | 180 | 53.8 | 0 | 0 | 0 | 0 | 114.5 | S105 I106 L113 | S105-S109 PolarHBondContact O-N 3.19Å; S105-S109 VanDerWaalsContact O-N 3.14Å; S105-S109 PolarHBondContact O-OG 3.38Å; I106-S109 WeakPolarHBondContact CA-OG 3.48Å; I106-S109 PolarHBondContact O-N 3.03Å; I106-S109 PolarHBondContact O-OG 3.12Å; S109-L113 VanDerWaalsContact O-CB 3.28Å; S109-L113 WeakPolarHBondContact O-CB 3.29Å; S109-L113 PolarHBondContact O-N 3.47Å |
| 110 | Y | 98.5 | Very high | 97.6 | Very high | 53 Ų | 53 | 80.6 Ų | 80.6 | 21% | 0.208 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -69.9 | -34.2 | 171.2 | -90.4 | -76.8 | 0 | 0 | 0 | 112.7 | I106 K107 T108 R114 R127 I130 L131 | I106-Y110 HydrophobicContact CG2-CD2 3.78Å; I106-Y110 HydrophobicContact CG2-CE2 3.72Å; I106-Y110 WeakPolarHBondContact O-CD2 3.47Å; I106-Y110 PolarHBondContact O-N 3.12Å; K107-Y110 PolarHBondContact O-N 2.91Å; T108-Y110 PolarHBondContact O-N 3.39Å; T108-Y110 VanDerWaalsContact O-N 3.16Å; Y110-R114 WeakPolarHBondContact O-CB 3.31Å; Y110-R114 PolarHBondContact O-N 3.45Å; Y110-R114 VanDerWaalsContact O-N 3.1Å; Y110-R127 HydrophobicContact CD1-CB 4.33Å; Y110-R127 HydrophobicContact CD1-CG 4.02Å; Y110-R127 HydrophobicContact CD2-CG 4.44Å; Y110-R127 HydrophobicContact CE1-CB 3.79Å; Y110-R127 HydrophobicContact CE1-CG 3.84Å; Y110-R127 HydrophobicContact CE2-CG 4.3Å; Y110-R127 HydrophobicContact CG-CG 4.32Å; Y110-I130 HydrophobicContact CD1-CB 4.41Å; Y110-I130 HydrophobicContact CD1-CD1 4.29Å; Y110-I130 HydrophobicContact CD1-CG2 4.13Å; Y110-L131 HydrophobicContact CE1-CD1 4.42Å; Y110-L131 HydrophobicContact CE1-CD2 4.21Å; Y110-L131 HydrophobicContact CE1-CG 4.08Å |
| 111 | N | 97.4 | Very high | 97.3 | Very high | 67 Ų | 67 | 81.5 Ų | 81.5 | 36% | 0.358 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.5 | -45.3 | 173.2 | -63.3 | -27 | 0 | 0 | 0 | 110.8 | K107 T108 L113 R114 E115 | K107-N111 PolarHBondContact O-N 3.48Å; K107-N111 PolarHBondContact O-ND2 3.43Å; T108-N111 WeakPolarHBondContact O-CA 3.36Å; T108-N111 WeakPolarHBondContact O-CB 3.38Å; T108-N111 PolarHBondContact O-N 2.84Å; N111-L113 VanDerWaalsContact C-N 3.33Å; N111-L113 PolarHBondContact O-N 3.27Å; N111-R114 WeakPolarHBondContact O-CB 3.32Å; N111-R114 PolarHBondContact O-N 2.86Å; N111-R114 VanDerWaalsContact O-N 3.11Å; N111-E115 PolarHBondContact O-N 3.48Å |
| 112 | D | 97.9 | Very high | 97 | Very high | 98 Ų | 98 | 76.9 Ų | 76.9 | 52% | 0.524 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | -179.6 | -53.4 | -30.3 | 0 | 0 | 0 | 111 | T108 E115 V116 | T108-D112 PolarHBondContact O-N 3.3Å; D112-E115 PolarHBondContact O-N 3.31Å; D112-V116 PolarHBondContact O-N 2.86Å |
| 113 | L | 98.2 | Very high | 96.6 | Very high | 61 Ų | 61 | 72.7 Ų | 72.7 | 32% | 0.319 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 173.5 | 177.6 | 58 | 0 | 0 | 0 | 112 | S109 N111 E115 V116 I117 I130 A134 | S109-L113 VanDerWaalsContact O-CB 3.28Å; S109-L113 WeakPolarHBondContact O-CB 3.29Å; S109-L113 PolarHBondContact O-N 3.47Å; N111-L113 VanDerWaalsContact C-N 3.33Å; N111-L113 PolarHBondContact O-N 3.27Å; L113-E115 PolarHBondContact O-N 3.11Å; L113-V116 HydrophobicContact CD1-CG2 4.25Å; L113-V116 WeakPolarHBondContact O-CG2 3.31Å; L113-V116 PolarHBondContact O-N 3.16Å; L113-I117 HydrophobicContact CD1-CD1 4.14Å; L113-I117 HydrophobicContact CD1-CG1 4.48Å; L113-I117 HydrophobicContact CG-CD1 4.01Å; L113-I117 WeakPolarHBondContact O-CD1 3.34Å; L113-I117 VanDerWaalsContact O-CG1 3.3Å; L113-I117 WeakPolarHBondContact O-CG1 3.31Å; L113-I117 PolarHBondContact O-N 2.97Å; L113-I130 HydrophobicContact CB-CG2 4.43Å; L113-I130 HydrophobicContact CD2-CG2 3.91Å; L113-I130 HydrophobicContact CG-CG2 3.95Å; L113-A134 HydrophobicContact CD1-CB 4.14Å; L113-A134 HydrophobicContact CD2-CB 4.33Å |
| 114 | R | 97.7 | Very high | 96.5 | Very high | 38 Ų | 38 | 76 Ų | 76 | 14% | 0.143 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 178.2 | 170.9 | 171.8 | 158.2 | -113.6 | -13.1 | 112.8 | Y110 N111 V116 I117 L120 G122 S123 I130 | Y110-R114 WeakPolarHBondContact O-CB 3.31Å; Y110-R114 PolarHBondContact O-N 3.45Å; Y110-R114 VanDerWaalsContact O-N 3.1Å; N111-R114 WeakPolarHBondContact O-CB 3.32Å; N111-R114 PolarHBondContact O-N 2.86Å; N111-R114 VanDerWaalsContact O-N 3.11Å; R114-V116 VanDerWaalsContact C-N 3.3Å; R114-V116 PolarHBondContact O-N 2.93Å; R114-I117 PolarHBondContact O-N 3.48Å; R114-L120 HydrophobicContact CG-CB 3.99Å; R114-L120 WeakPolarHBondContact CG-O 3.49Å; R114-L120 PolarHBondContact NE-O 3.36Å; R114-G122 PolarHBondContact NH2-O 3.23Å; R114-S123 PolarHBondContact NE-O 3.43Å; R114-S123 PolarHBondContact NH2-O 2.9Å; R114-I130 HydrophobicContact CB-CD1 4.09Å; R114-I130 HydrophobicContact CB-CG1 4.16Å; R114-I130 HydrophobicContact CB-CG2 4.34Å; R114-I130 HydrophobicContact CG-CD1 4.46Å; R114-I130 HydrophobicContact CG-CG1 4.43Å |
| 115 | E | 97.4 | Very high | 96.3 | Very high | 83 Ų | 83 | 74.8 Ų | 74.8 | 39% | 0.388 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -75.9 | -12.5 | -179.9 | -67.1 | -55.6 | 139.1 | 0 | 0 | 114 | N111 D112 L113 R121 G122 | N111-E115 PolarHBondContact O-N 3.48Å; D112-E115 PolarHBondContact O-N 3.31Å; L113-E115 PolarHBondContact O-N 3.11Å; E115-R121 VanDerWaalsContact O-CD 3.22Å; E115-R121 WeakPolarHBondContact O-CD 3.22Å; E115-R121 WeakPolarHBondContact O-CG 3.27Å; E115-R121 PolarHBondContact O-NE 3.16Å; E115-R121 WeakPolarHBondContact OE2-CA 3.4Å; E115-R121 WeakPolarHBondContact OE2-CB 3.21Å; E115-G122 PolarHBondContact OE1-N 3.44Å; E115-G122 PolarHBondContact OE2-N 3.38Å |
| 116 | V | 97 | Very high | 96.3 | Very high | 90 Ų | 90 | 74 Ų | 74 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -86 | -31 | 166.9 | -62.8 | 0 | 0 | 0 | 0 | 113.1 | D112 L113 R114 R121 | D112-V116 PolarHBondContact O-N 2.86Å; L113-V116 HydrophobicContact CD1-CG2 4.25Å; L113-V116 WeakPolarHBondContact O-CG2 3.31Å; L113-V116 PolarHBondContact O-N 3.16Å; R114-V116 VanDerWaalsContact C-N 3.3Å; R114-V116 PolarHBondContact O-N 2.93Å; V116-R121 PolarHBondContact O-NH2 2.84Å |
| 117 | I | 97.5 | Very high | 96.2 | Very high | 5 Ų | 5 | 78.6 Ų | 78.6 | 3% | 0.026 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -69.9 | 125.7 | -177.3 | -66.2 | 160.8 | 0 | 0 | 0 | 111.6 | L113 R114 L120 R121 I130 R133 A134 | L113-I117 HydrophobicContact CD1-CD1 4.14Å; L113-I117 HydrophobicContact CD1-CG1 4.48Å; L113-I117 HydrophobicContact CG-CD1 4.01Å; L113-I117 WeakPolarHBondContact O-CD1 3.34Å; L113-I117 VanDerWaalsContact O-CG1 3.3Å; L113-I117 WeakPolarHBondContact O-CG1 3.31Å; L113-I117 PolarHBondContact O-N 2.97Å; R114-I117 PolarHBondContact O-N 3.48Å; I117-L120 HydrophobicContact CB-CB 4.39Å; I117-L120 HydrophobicContact CD1-CD1 4.34Å; I117-L120 HydrophobicContact CG2-CB 4.18Å; I117-L120 HydrophobicContact CG2-CD1 4Å; I117-L120 HydrophobicContact CG2-CG 3.9Å; I117-L120 PolarHBondContact O-N 3.4Å; I117-R121 VanDerWaalsContact O-CG 3.25Å; I117-R121 WeakPolarHBondContact O-CG 3.1Å; I117-I130 HydrophobicContact CD1-CG2 4.11Å; I117-I130 WeakPolarHBondContact CD1-O 3.19Å; I117-R133 HydrophobicContact CG2-CB 3.85Å; I117-A134 HydrophobicContact CD1-CB 3.8Å; I117-A134 HydrophobicContact CG1-CB 4.45Å |
| 118 | P | 95.2 | Very high | 96.2 | Very high | 80 Ų | 80 | 75.5 Ų | 75.5 | 52% | 0.519 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 139.7 | 170.6 | -23.2 | 34.8 | 0 | 0 | 0 | 112.2 | L120 C137 | P118-L120 VanDerWaalsContact C-N 3.26Å; P118-L120 PolarHBondContact O-N 2.79Å; P118-C137 VanDerWaalsContact CD-SG 3.54Å |
| 119 | G | 92.8 | Very high | 96.2 | Very high | 69 Ų | 69 | 74.7 Ų | 74.7 | 71% | 0.711 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -22.9 | 180 | 0 | 0 | 0 | 0 | 0 | 116 | S123 | G119-S123 PolarHBondContact O-OG 3.28Š|
| 120 | L | 95 | Very high | 96.2 | Very high | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.094 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -5.4 | 177.8 | -58.6 | -168.7 | 0 | 0 | 0 | 114.9 | R114 I117 P118 G122 S123 A125 V129 I130 R133 | R114-L120 HydrophobicContact CG-CB 3.99Å; R114-L120 WeakPolarHBondContact CG-O 3.49Å; R114-L120 PolarHBondContact NE-O 3.36Å; I117-L120 HydrophobicContact CB-CB 4.39Å; I117-L120 HydrophobicContact CD1-CD1 4.34Å; I117-L120 HydrophobicContact CG2-CB 4.18Å; I117-L120 HydrophobicContact CG2-CD1 4Å; I117-L120 HydrophobicContact CG2-CG 3.9Å; I117-L120 PolarHBondContact O-N 3.4Å; P118-L120 VanDerWaalsContact C-N 3.26Å; P118-L120 PolarHBondContact O-N 2.79Å; L120-G122 PolarHBondContact O-N 2.94Å; L120-S123 WeakPolarHBondContact CA-OG 3.41Å; L120-S123 PolarHBondContact O-OG 3.42Å; L120-A125 HydrophobicContact CD1-CB 4.19Å; L120-A125 HydrophobicContact CD2-CB 4.08Å; L120-V129 HydrophobicContact CD1-CG1 4.18Å; L120-V129 HydrophobicContact CD2-CG1 4.06Å; L120-I130 HydrophobicContact CD1-CG1 4.16Å; L120-R133 HydrophobicContact CD1-CB 3.76Å; L120-R133 HydrophobicContact CD1-CG 3.9Å; L120-R133 HydrophobicContact CD2-CG 4.33Å; L120-R133 HydrophobicContact CG-CB 4.3Å; L120-R133 HydrophobicContact CG-CG 4.24Å |
| 121 | R | 93.3 | Very high | 96.2 | Very high | 149 Ų | 149 | 73.5 Ų | 73.5 | 56% | 0.562 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -63.9 | 124.6 | 177.7 | -51.3 | -166.5 | -179.8 | -169.9 | -7.7 | 110.2 | E115 V116 I117 S123 | E115-R121 VanDerWaalsContact O-CD 3.22Å; E115-R121 WeakPolarHBondContact O-CD 3.22Å; E115-R121 WeakPolarHBondContact O-CG 3.27Å; E115-R121 PolarHBondContact O-NE 3.16Å; E115-R121 WeakPolarHBondContact OE2-CA 3.4Å; E115-R121 WeakPolarHBondContact OE2-CB 3.21Å; V116-R121 PolarHBondContact O-NH2 2.84Å; I117-R121 VanDerWaalsContact O-CG 3.25Å; I117-R121 WeakPolarHBondContact O-CG 3.1Å; R121-S123 PolarHBondContact O-N 3.31Å |
| 122 | G | 90.6 | Very high | 96.2 | Very high | 61 Ų | 61 | 75.6 Ų | 75.6 | 63% | 0.629 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 72.8 | -32.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R114 E115 L120 | R114-G122 PolarHBondContact NH2-O 3.23Å; E115-G122 PolarHBondContact OE1-N 3.44Å; E115-G122 PolarHBondContact OE2-N 3.38Å; L120-G122 PolarHBondContact O-N 2.94Å |
| 123 | S | 91.7 | Very high | 96.2 | Very high | 54 Ų | 54 | 75.2 Ų | 75.2 | 38% | 0.378 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -77 | 129.2 | 179.5 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | R114 G119 L120 R121 A125 | R114-S123 PolarHBondContact NE-O 3.43Å; R114-S123 PolarHBondContact NH2-O 2.9Å; G119-S123 PolarHBondContact O-OG 3.28Å; L120-S123 WeakPolarHBondContact CA-OG 3.41Å; L120-S123 PolarHBondContact O-OG 3.42Å; R121-S123 PolarHBondContact O-N 3.31Å; S123-A125 PolarHBondContact O-N 3.49Å |
| 124 | K | 95 | Very high | 96.2 | Very high | 206 Ų | 206 | 72.9 Ų | 72.9 | 90% | 0.896 | 41% | 0.406 | S | S | * | . | trans | -59.2 | 123.4 | -178.9 | -69.6 | 180 | -176.7 | 174 | 0 | 109.7 | ||||
| 125 | A | 95.8 | Very high | 96.3 | Very high | 29 Ų | 29 | 74.9 Ų | 74.9 | 24% | 0.24 | 42% | 0.422 | C | S | . | . | trans | -132.6 | 143.9 | -180 | 0 | 0 | 0 | 0 | 0 | 111.8 | L120 S123 V129 I130 | L120-A125 HydrophobicContact CD1-CB 4.19Å; L120-A125 HydrophobicContact CD2-CB 4.08Å; S123-A125 PolarHBondContact O-N 3.49Å; A125-V129 HydrophobicContact CB-CG1 4.28Å; A125-I130 HydrophobicContact CB-CD1 4.36Å; A125-I130 HydrophobicContact CB-CG1 3.87Å | ||
| 126 | S | 97.2 | Very high | 96.3 | Very high | 66 Ų | 66 | 74 Ų | 74 | 46% | 0.462 | 42% | 0.418 | S | S | . | . | trans | -73.4 | 159.3 | 176.7 | 82.4 | 0 | 0 | 0 | 0 | 111.5 | A128 V129 I130 | S126-A128 PolarHBondContact O-N 3.14Å; S126-V129 PolarHBondContact O-N 3.02Å; S126-V129 WeakPolarHBondContact OG-CG2 3.47Å; S126-V129 PolarHBondContact OG-N 3.32Å; S126-I130 WeakPolarHBondContact O-CG1 3.44Å; S126-I130 PolarHBondContact O-N 3.2Å | ||
| 127 | R | 97.9 | Very high | 96.4 | Very high | 154 Ų | 154 | 70.9 Ų | 70.9 | 58% | 0.581 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -57.9 | -37.5 | 177.4 | -70.2 | -172.4 | -177.9 | 113 | -0.5 | 112.6 | Y110 L131 | Y110-R127 HydrophobicContact CD1-CB 4.33Å; Y110-R127 HydrophobicContact CD1-CG 4.02Å; Y110-R127 HydrophobicContact CD2-CG 4.44Å; Y110-R127 HydrophobicContact CE1-CB 3.79Å; Y110-R127 HydrophobicContact CE1-CG 3.84Å; Y110-R127 HydrophobicContact CE2-CG 4.3Å; Y110-R127 HydrophobicContact CG-CG 4.32Å; R127-L131 WeakPolarHBondContact O-CG 3.46Å; R127-L131 PolarHBondContact O-N 3.11Å; R127-L131 VanDerWaalsContact O-N 3.11Å |
| 128 | A | 98.3 | Very high | 96.4 | Very high | 69 Ų | 69 | 75.7 Ų | 75.7 | 57% | 0.57 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.5 | -47.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | S126 I130 L131 Q132 | S126-A128 PolarHBondContact O-N 3.14Å; A128-I130 PolarHBondContact O-N 3.47Å; A128-L131 PolarHBondContact O-N 2.97Å; A128-Q132 WeakPolarHBondContact O-CB 3.37Å; A128-Q132 PolarHBondContact O-N 2.96Å |
| 129 | V | 97.8 | Very high | 96.5 | Very high | 55 Ų | 55 | 78.1 Ų | 78.1 | 33% | 0.333 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 177.6 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | L120 A125 S126 L131 Q132 R133 | L120-V129 HydrophobicContact CD1-CG1 4.18Å; L120-V129 HydrophobicContact CD2-CG1 4.06Å; A125-V129 HydrophobicContact CB-CG1 4.28Å; S126-V129 PolarHBondContact O-N 3.02Å; S126-V129 WeakPolarHBondContact OG-CG2 3.47Å; S126-V129 PolarHBondContact OG-N 3.32Å; V129-L131 PolarHBondContact O-N 3.31Å; V129-Q132 PolarHBondContact O-N 2.92Å; V129-R133 HydrophobicContact CG1-CG 4.11Å; V129-R133 WeakPolarHBondContact O-CB 3.44Å; V129-R133 WeakPolarHBondContact O-CG 3.46Å; V129-R133 PolarHBondContact O-N 2.86Å |
| 130 | I | 98.4 | Very high | 96.8 | Very high | 6 Ų | 6 | 80.1 Ų | 80.1 | 3% | 0.031 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 176 | -65.4 | 163 | 0 | 0 | 0 | 110.8 | Y110 L113 R114 I117 L120 A125 S126 A128 A134 | Y110-I130 HydrophobicContact CD1-CB 4.41Å; Y110-I130 HydrophobicContact CD1-CD1 4.29Å; Y110-I130 HydrophobicContact CD1-CG2 4.13Å; L113-I130 HydrophobicContact CB-CG2 4.43Å; L113-I130 HydrophobicContact CD2-CG2 3.91Å; L113-I130 HydrophobicContact CG-CG2 3.95Å; R114-I130 HydrophobicContact CB-CD1 4.09Å; R114-I130 HydrophobicContact CB-CG1 4.16Å; R114-I130 HydrophobicContact CB-CG2 4.34Å; R114-I130 HydrophobicContact CG-CD1 4.46Å; R114-I130 HydrophobicContact CG-CG1 4.43Å; I117-I130 HydrophobicContact CD1-CG2 4.11Å; I117-I130 WeakPolarHBondContact CD1-O 3.19Å; L120-I130 HydrophobicContact CD1-CG1 4.16Å; A125-I130 HydrophobicContact CB-CD1 4.36Å; A125-I130 HydrophobicContact CB-CG1 3.87Å; S126-I130 WeakPolarHBondContact O-CG1 3.44Å; S126-I130 PolarHBondContact O-N 3.2Å; A128-I130 PolarHBondContact O-N 3.47Å; I130-A134 VanDerWaalsContact O-CB 3.26Å; I130-A134 WeakPolarHBondContact O-CB 3.5Å; I130-A134 PolarHBondContact O-N 2.95Å |
| 131 | L | 98.5 | Very high | 96.9 | Very high | 85 Ų | 85 | 83.4 Ų | 83.4 | 45% | 0.445 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 177.8 | -68 | 173 | 0 | 0 | 0 | 112.2 | Y110 R127 A128 V129 A134 V135 | Y110-L131 HydrophobicContact CE1-CD1 4.42Å; Y110-L131 HydrophobicContact CE1-CD2 4.21Å; Y110-L131 HydrophobicContact CE1-CG 4.08Å; R127-L131 WeakPolarHBondContact O-CG 3.46Å; R127-L131 PolarHBondContact O-N 3.11Å; R127-L131 VanDerWaalsContact O-N 3.11Å; A128-L131 PolarHBondContact O-N 2.97Å; V129-L131 PolarHBondContact O-N 3.31Å; L131-A134 WeakPolarHBondContact O-CB 3.49Å; L131-A134 PolarHBondContact O-N 3.38Å; L131-V135 PolarHBondContact O-N 3.45Å |
| 132 | Q | 98 | Very high | 97.2 | Very high | 112 Ų | 112 | 80.6 Ų | 80.6 | 52% | 0.523 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63 | -52.7 | 179 | -178.6 | -178.3 | -18.7 | 0 | 0 | 111.4 | A128 V129 A134 V135 E136 | A128-Q132 WeakPolarHBondContact O-CB 3.37Å; A128-Q132 PolarHBondContact O-N 2.96Å; V129-Q132 PolarHBondContact O-N 2.92Å; Q132-A134 PolarHBondContact O-N 3.23Å; Q132-V135 PolarHBondContact O-N 3.02Å; Q132-V135 VanDerWaalsContact O-N 3.11Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.24Å; Q132-E136 PolarHBondContact NE2-OE1 2.87Å; Q132-E136 WeakPolarHBondContact O-CG 3.28Å; Q132-E136 PolarHBondContact O-N 2.91Å |
| 133 | R | 97.8 | Very high | 97.6 | Very high | 90 Ų | 90 | 84.3 Ų | 84.3 | 34% | 0.34 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.2 | -24.5 | 178.5 | -61.3 | -55.3 | -164.1 | -179.6 | 1.4 | 112.5 | I117 L120 V129 E136 C137 | I117-R133 HydrophobicContact CG2-CB 3.85Å; L120-R133 HydrophobicContact CD1-CB 3.76Å; L120-R133 HydrophobicContact CD1-CG 3.9Å; L120-R133 HydrophobicContact CD2-CG 4.33Å; L120-R133 HydrophobicContact CG-CB 4.3Å; L120-R133 HydrophobicContact CG-CG 4.24Å; V129-R133 HydrophobicContact CG1-CG 4.11Å; V129-R133 WeakPolarHBondContact O-CB 3.44Å; V129-R133 WeakPolarHBondContact O-CG 3.46Å; V129-R133 PolarHBondContact O-N 2.86Å; R133-E136 WeakPolarHBondContact CD-OE2 3.34Å; R133-E136 IonicContact CZ-OE2 2.74Å; R133-E136 IonicContact NE-OE2 3.07Å; R133-E136 IonicContact NH1-OE1 3.81Å; R133-E136 IonicContact NH1-OE2 2.72Å; R133-E136 PolarHBondContact NH1-OE2 3.22Å; R133-C137 WeakPolarHBondContact O-CB 3.41Å; R133-C137 PolarHBondContact O-N 3.16Å |
| 134 | A | 98.4 | Very high | 97.9 | Very high | 12 Ų | 12 | 84.8 Ų | 84.8 | 10% | 0.099 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64 | -46.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.8 | L113 I117 I130 L131 Q132 C137 I138 | L113-A134 HydrophobicContact CD1-CB 4.14Å; L113-A134 HydrophobicContact CD2-CB 4.33Å; I117-A134 HydrophobicContact CD1-CB 3.8Å; I117-A134 HydrophobicContact CG1-CB 4.45Å; I130-A134 VanDerWaalsContact O-CB 3.26Å; I130-A134 WeakPolarHBondContact O-CB 3.5Å; I130-A134 PolarHBondContact O-N 2.95Å; L131-A134 WeakPolarHBondContact O-CB 3.49Å; L131-A134 PolarHBondContact O-N 3.38Å; Q132-A134 PolarHBondContact O-N 3.23Å; A134-C137 PolarHBondContact O-N 3.42Å; A134-I138 WeakPolarHBondContact O-CB 3.36Å; A134-I138 WeakPolarHBondContact O-CD1 3.4Å; A134-I138 VanDerWaalsContact O-CG1 3.24Å; A134-I138 WeakPolarHBondContact O-CG1 3.3Å; A134-I138 PolarHBondContact O-N 3.05Å |
| 135 | V | 98.4 | Very high | 98 | Very high | 80 Ų | 80 | 79.4 Ų | 79.4 | 49% | 0.485 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.9 | -51.4 | 177.3 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | L131 Q132 C137 I138 E139 | L131-V135 PolarHBondContact O-N 3.45Å; Q132-V135 PolarHBondContact O-N 3.02Å; Q132-V135 VanDerWaalsContact O-N 3.11Å; V135-C137 VanDerWaalsContact C-N 3.3Å; V135-C137 PolarHBondContact O-N 3.07Å; V135-I138 PolarHBondContact O-N 3.29Å; V135-I138 VanDerWaalsContact O-N 3.11Å; V135-E139 HydrophobicContact CG1-CG 4.44Å; V135-E139 WeakPolarHBondContact O-CG 3.11Å; V135-E139 PolarHBondContact O-N 3.42Å |
| 136 | E | 97.9 | Very high | 98.1 | Very high | 64 Ų | 64 | 86.9 Ų | 86.9 | 30% | 0.299 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -55.1 | -44.5 | 177.3 | -66.9 | 171.3 | -167.6 | 0 | 0 | 111.8 | Q132 R133 E139 E140 | Q132-E136 WeakPolarHBondContact CG-OE1 3.24Å; Q132-E136 PolarHBondContact NE2-OE1 2.87Å; Q132-E136 WeakPolarHBondContact O-CG 3.28Å; Q132-E136 PolarHBondContact O-N 2.91Å; R133-E136 WeakPolarHBondContact CD-OE2 3.34Å; R133-E136 IonicContact CZ-OE2 2.74Å; R133-E136 IonicContact NE-OE2 3.07Å; R133-E136 IonicContact NH1-OE1 3.81Å; R133-E136 IonicContact NH1-OE2 2.72Å; R133-E136 PolarHBondContact NH1-OE2 3.22Å; E136-E139 PolarHBondContact O-N 3.5Å; E136-E140 WeakPolarHBondContact O-CG 3.25Å; E136-E140 PolarHBondContact O-N 3.36Å |
| 137 | C | 98.2 | Very high | 98.2 | Very high | 25 Ų | 25 | 88 Ų | 88 | 17% | 0.169 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 178 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | P118 R133 A134 V135 L141 | P118-C137 VanDerWaalsContact CD-SG 3.54Å; R133-C137 WeakPolarHBondContact O-CB 3.41Å; R133-C137 PolarHBondContact O-N 3.16Å; A134-C137 PolarHBondContact O-N 3.42Å; V135-C137 VanDerWaalsContact C-N 3.3Å; V135-C137 PolarHBondContact O-N 3.07Å; C137-L141 VanDerWaalsContact O-CB 3.31Å; C137-L141 WeakPolarHBondContact O-CB 3.5Å; C137-L141 WeakPolarHBondContact O-CG 3.44Å; C137-L141 PolarHBondContact O-N 3.32Å |
| 138 | I | 98.3 | Very high | 98.2 | Very high | 106 Ų | 106 | 84.8 Ų | 84.8 | 54% | 0.544 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 175.7 | -71 | 164.3 | 0 | 0 | 0 | 110.5 | A134 V135 L141 V142 | A134-I138 WeakPolarHBondContact O-CB 3.36Å; A134-I138 WeakPolarHBondContact O-CD1 3.4Å; A134-I138 VanDerWaalsContact O-CG1 3.24Å; A134-I138 WeakPolarHBondContact O-CG1 3.3Å; A134-I138 PolarHBondContact O-N 3.05Å; V135-I138 PolarHBondContact O-N 3.29Å; V135-I138 VanDerWaalsContact O-N 3.11Å; I138-L141 PolarHBondContact O-N 3.1Å; I138-V142 HydrophobicContact CG2-CG2 4.34Å; I138-V142 WeakPolarHBondContact O-CB 3.46Å; I138-V142 VanDerWaalsContact O-CG2 3.27Å; I138-V142 WeakPolarHBondContact O-CG2 3.46Å; I138-V142 PolarHBondContact O-N 3.11Å |
| 139 | E | 98.3 | Very high | 98.2 | Very high | 130 Ų | 130 | 85.4 Ų | 85.4 | 61% | 0.607 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.9 | -45.3 | 177.4 | -70.8 | -179.3 | 174.1 | 0 | 0 | 112 | V135 E136 V142 K143 | V135-E139 HydrophobicContact CG1-CG 4.44Å; V135-E139 WeakPolarHBondContact O-CG 3.11Å; V135-E139 PolarHBondContact O-N 3.42Å; E136-E139 PolarHBondContact O-N 3.5Å; E139-V142 PolarHBondContact O-N 2.92Å; E139-K143 WeakPolarHBondContact O-CB 3.39Å; E139-K143 PolarHBondContact O-N 3.47Å |
| 140 | E | 98 | Very high | 98.2 | Very high | 111 Ų | 111 | 86.7 Ų | 86.7 | 52% | 0.519 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 174.9 | -72.8 | -159.1 | 144.6 | 0 | 0 | 112.3 | K11 E136 K143 L144 | K11-E140 IonicContact NZ-OE1 3.71Å; K11-E140 PolarHBondContact NZ-OE1 3.41Å; E136-E140 WeakPolarHBondContact O-CG 3.25Å; E136-E140 PolarHBondContact O-N 3.36Å; E140-K143 PolarHBondContact O-N 3.26Å; E140-L144 WeakPolarHBondContact O-CB 3.44Å; E140-L144 PolarHBondContact O-N 3.35Å |
| 141 | L | 98.3 | Very high | 98.2 | Very high | 88 Ų | 88 | 89.4 Ų | 89.4 | 46% | 0.461 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.7 | -39 | 176.9 | -74.8 | 171.4 | 0 | 0 | 0 | 112.7 | C137 I138 L144 N145 | C137-L141 VanDerWaalsContact O-CB 3.31Å; C137-L141 WeakPolarHBondContact O-CB 3.5Å; C137-L141 WeakPolarHBondContact O-CG 3.44Å; C137-L141 PolarHBondContact O-N 3.32Å; I138-L141 PolarHBondContact O-N 3.1Å; L141-L144 PolarHBondContact O-N 2.59Å; L141-N145 VanDerWaalsContact O-CB 3.31Å; L141-N145 WeakPolarHBondContact O-CB 3.28Å; L141-N145 VanDerWaalsContact O-CG 3.29Å; L141-N145 PolarHBondContact O-N 3.46Å; L141-N145 PolarHBondContact O-ND2 3.46Å; L141-N145 VanDerWaalsContact O-ND2 3.12Å |
| 142 | V | 98.4 | Very high | 98.2 | Very high | 90 Ų | 90 | 88.9 Ų | 88.9 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 175 | 166.6 | 0 | 0 | 0 | 0 | 110.6 | I138 E139 R146 | I138-V142 HydrophobicContact CG2-CG2 4.34Å; I138-V142 WeakPolarHBondContact O-CB 3.46Å; I138-V142 VanDerWaalsContact O-CG2 3.27Å; I138-V142 WeakPolarHBondContact O-CG2 3.46Å; I138-V142 PolarHBondContact O-N 3.11Å; E139-V142 PolarHBondContact O-N 2.92Å; V142-R146 PolarHBondContact O-N 3.49Å; V142-R146 VanDerWaalsContact O-N 3.12Å |
| 143 | K | 98.3 | Very high | 98.2 | Very high | 139 Ų | 139 | 87.5 Ų | 87.5 | 60% | 0.604 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.3 | -50 | 174.3 | -178.1 | -179.2 | 176.2 | -177.9 | 0 | 111.6 | E139 E140 N145 R146 D147 | E139-K143 WeakPolarHBondContact O-CB 3.39Å; E139-K143 PolarHBondContact O-N 3.47Å; E140-K143 PolarHBondContact O-N 3.26Å; K143-N145 VanDerWaalsContact C-N 3.33Å; K143-N145 PolarHBondContact O-N 3.19Å; K143-R146 WeakPolarHBondContact O-CA 3.39Å; K143-R146 VanDerWaalsContact O-CB 3.31Å; K143-R146 WeakPolarHBondContact O-CB 3.32Å; K143-R146 PolarHBondContact O-N 2.95Å; K143-D147 PolarHBondContact O-N 3.19Å |
| 144 | L | 98.1 | Very high | 98.3 | Very high | 63 Ų | 63 | 86 Ų | 86 | 33% | 0.33 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | -178.9 | -178.1 | 62.8 | 0 | 0 | 0 | 111.8 | E140 L141 R146 D147 H148 | E140-L144 WeakPolarHBondContact O-CB 3.44Å; E140-L144 PolarHBondContact O-N 3.35Å; L141-L144 PolarHBondContact O-N 2.59Å; L144-R146 VanDerWaalsContact C-N 3.32Å; L144-R146 PolarHBondContact O-N 2.94Å; L144-D147 PolarHBondContact O-N 3.04Å; L144-H148 WeakPolarHBondContact O-CB 3.45Å; L144-H148 PolarHBondContact O-N 2.84Å; L144-H148 PolarHBondContact O-ND1 3.22Å |
| 145 | N | 98.2 | Very high | 98.3 | Very high | 94 Ų | 94 | 89 Ų | 89 | 50% | 0.503 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.7 | -34.7 | 173.9 | -77.1 | -34.6 | 0 | 0 | 0 | 112.5 | L141 K143 T149 | L141-N145 VanDerWaalsContact O-CB 3.31Å; L141-N145 WeakPolarHBondContact O-CB 3.28Å; L141-N145 VanDerWaalsContact O-CG 3.29Å; L141-N145 PolarHBondContact O-N 3.46Å; L141-N145 PolarHBondContact O-ND2 3.46Å; L141-N145 VanDerWaalsContact O-ND2 3.12Å; K143-N145 VanDerWaalsContact C-N 3.33Å; K143-N145 PolarHBondContact O-N 3.19Å; N145-T149 PolarHBondContact O-N 3.4Å; N145-T149 PolarHBondContact O-OG1 3.39Å; N145-T149 VanDerWaalsContact O-OG1 3.07Å |
| 146 | R | 98.3 | Very high | 98.3 | Very high | 185 Ų | 185 | 91.4 Ų | 91.4 | 70% | 0.698 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.3 | -46.8 | 174.4 | -154 | -179.4 | -164.4 | 100.2 | 0.1 | 111.3 | V142 K143 L144 H148 T149 V150 | V142-R146 PolarHBondContact O-N 3.49Å; V142-R146 VanDerWaalsContact O-N 3.12Å; K143-R146 WeakPolarHBondContact O-CA 3.39Å; K143-R146 VanDerWaalsContact O-CB 3.31Å; K143-R146 WeakPolarHBondContact O-CB 3.32Å; K143-R146 PolarHBondContact O-N 2.95Å; L144-R146 VanDerWaalsContact C-N 3.32Å; L144-R146 PolarHBondContact O-N 2.94Å; R146-H148 VanDerWaalsContact C-N 3.33Å; R146-H148 PolarHBondContact O-N 3.34Å; R146-T149 PolarHBondContact O-N 2.97Å; R146-V150 WeakPolarHBondContact O-CG2 3.28Å; R146-V150 PolarHBondContact O-N 3.48Å; R146-V150 VanDerWaalsContact O-N 3.09Å |
| 147 | D | 98.4 | Very high | 98.3 | Very high | 90 Ų | 90 | 95.4 Ų | 95.4 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 176.3 | -68.8 | -18.9 | 0 | 0 | 0 | 111.5 | K143 L144 C151 | K143-D147 PolarHBondContact O-N 3.19Å; L144-D147 PolarHBondContact O-N 3.04Å; D147-C151 VanDerWaalsContact O-CB 3.29Å; D147-C151 WeakPolarHBondContact O-CB 3.35Å; D147-C151 PolarHBondContact O-N 3.02Å |
| 148 | H | 98.4 | Very high | 98.3 | Very high | 87 Ų | 87 | 99 Ų | 99 | 40% | 0.403 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 172.6 | -73.7 | 166.6 | 0 | 0 | 0 | 112.6 | L144 R146 C151 V152 | L144-H148 WeakPolarHBondContact O-CB 3.45Å; L144-H148 PolarHBondContact O-N 2.84Å; L144-H148 PolarHBondContact O-ND1 3.22Å; R146-H148 VanDerWaalsContact C-N 3.33Å; R146-H148 PolarHBondContact O-N 3.34Å; H148-C151 WeakPolarHBondContact O-CB 3.4Å; H148-C151 PolarHBondContact O-N 2.98Å; H148-V152 WeakPolarHBondContact O-CG2 3.42Å; H148-V152 PolarHBondContact O-N 3.39Å |
| 149 | T | 98.3 | Very high | 98.2 | Very high | 81 Ų | 81 | 98.1 Ų | 98.1 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 176.8 | -65 | 0 | 0 | 0 | 0 | 111.4 | N145 R146 C151 V152 E153 | N145-T149 PolarHBondContact O-N 3.4Å; N145-T149 PolarHBondContact O-OG1 3.39Å; N145-T149 VanDerWaalsContact O-OG1 3.07Å; R146-T149 PolarHBondContact O-N 2.97Å; T149-C151 VanDerWaalsContact C-N 3.3Å; T149-C151 PolarHBondContact O-N 2.99Å; T149-V152 PolarHBondContact O-N 3.39Å; T149-E153 PolarHBondContact O-N 3.26Å |
| 150 | V | 98.2 | Very high | 98.2 | Very high | 82 Ų | 82 | 96.6 Ų | 96.6 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 176.1 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | R146 T154 | R146-V150 WeakPolarHBondContact O-CG2 3.28Å; R146-V150 PolarHBondContact O-N 3.48Å; R146-V150 VanDerWaalsContact O-N 3.09Å; V150-T154 WeakPolarHBondContact O-CB 3.33Å; V150-T154 PolarHBondContact O-N 3.04Å; V150-T154 PolarHBondContact O-OG1 3.35Å |
| 151 | C | 98.2 | Very high | 98.2 | Very high | 63 Ų | 63 | 97.2 Ų | 97.2 | 43% | 0.426 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 174.1 | -171.7 | 0 | 0 | 0 | 0 | 111.9 | D147 H148 T149 T154 L155 | D147-C151 VanDerWaalsContact O-CB 3.29Å; D147-C151 WeakPolarHBondContact O-CB 3.35Å; D147-C151 PolarHBondContact O-N 3.02Å; H148-C151 WeakPolarHBondContact O-CB 3.4Å; H148-C151 PolarHBondContact O-N 2.98Å; T149-C151 VanDerWaalsContact C-N 3.3Å; T149-C151 PolarHBondContact O-N 2.99Å; C151-T154 PolarHBondContact O-N 3.11Å; C151-L155 WeakPolarHBondContact O-CG 3.49Å; C151-L155 PolarHBondContact O-N 3.14Å |
| 152 | V | 98.5 | Very high | 98.2 | Very high | 75 Ų | 75 | 98.2 Ų | 98.2 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 178 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | H148 T149 T154 L155 K156 | H148-V152 WeakPolarHBondContact O-CG2 3.42Å; H148-V152 PolarHBondContact O-N 3.39Å; T149-V152 PolarHBondContact O-N 3.39Å; V152-T154 VanDerWaalsContact C-N 3.34Å; V152-T154 PolarHBondContact O-N 2.95Å; V152-L155 PolarHBondContact O-N 3.29Å; V152-K156 HydrophobicContact CG1-CD 4.32Å; V152-K156 WeakPolarHBondContact O-CG 3.47Å; V152-K156 PolarHBondContact O-N 3.17Å |
| 153 | E | 98.4 | Very high | 98.2 | Very high | 83 Ų | 83 | 98.2 Ų | 98.2 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 172.9 | -76.3 | -177.7 | -154.7 | 0 | 0 | 112.4 | T149 K156 R157 | T149-E153 PolarHBondContact O-N 3.26Å; E153-K156 PolarHBondContact O-N 3.49Å; E153-R157 WeakPolarHBondContact O-CG 3.26Å; E153-R157 PolarHBondContact O-N 3.11Å; E153-R157 IonicContact OE2-CZ 3.61Å; E153-R157 IonicContact OE2-NH1 2.82Å; E153-R157 IonicContact OE2-NH2 3.87Å; E153-R157 PolarHBondContact OE2-NH2 2.9Å |
| 154 | T | 98.4 | Very high | 98.1 | Very high | 57 Ų | 57 | 94.9 Ų | 94.9 | 35% | 0.35 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 179.3 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | V150 C151 V152 Q158 | V150-T154 WeakPolarHBondContact O-CB 3.33Å; V150-T154 PolarHBondContact O-N 3.04Å; V150-T154 PolarHBondContact O-OG1 3.35Å; C151-T154 PolarHBondContact O-N 3.11Å; V152-T154 VanDerWaalsContact C-N 3.34Å; V152-T154 PolarHBondContact O-N 2.95Å; T154-Q158 VanDerWaalsContact O-CG 3.32Å; T154-Q158 WeakPolarHBondContact O-CG 3.36Å; T154-Q158 PolarHBondContact O-N 2.71Å |
| 155 | L | 98.1 | Very high | 98.1 | Very high | 77 Ų | 77 | 97.6 Ų | 97.6 | 40% | 0.403 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.8 | -37.3 | 176.2 | -71 | 170.7 | 0 | 0 | 0 | 112.3 | C151 V152 Q158 N159 | C151-L155 WeakPolarHBondContact O-CG 3.49Å; C151-L155 PolarHBondContact O-N 3.14Å; V152-L155 PolarHBondContact O-N 3.29Å; L155-Q158 PolarHBondContact O-N 2.83Å; L155-N159 VanDerWaalsContact O-CG 3.32Å; L155-N159 PolarHBondContact O-N 3.07Å; L155-N159 PolarHBondContact O-OD1 3.39Å |
| 156 | K | 98.3 | Very high | 98.1 | Very high | 129 Ų | 129 | 96.4 Ų | 96.4 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.8 | -55.3 | 172 | -76.8 | 176.8 | 177.4 | -175.7 | 0 | 111 | V152 E153 Q158 N159 D160 | V152-K156 HydrophobicContact CG1-CD 4.32Å; V152-K156 WeakPolarHBondContact O-CG 3.47Å; V152-K156 PolarHBondContact O-N 3.17Å; E153-K156 PolarHBondContact O-N 3.49Å; K156-Q158 PolarHBondContact O-N 2.96Å; K156-Q158 VanDerWaalsContact O-N 3.12Å; K156-N159 CarbonylContact O-C 3.57Å; K156-N159 WeakPolarHBondContact O-CA 3.48Å; K156-N159 WeakPolarHBondContact O-CB 3.44Å; K156-N159 PolarHBondContact O-N 3.45Å; K156-D160 VanDerWaalsContact C-OD2 3.31Å; K156-D160 PolarHBondContact O-N 3.32Å; K156-D160 VanDerWaalsContact O-OD2 3.06Å |
| 157 | R | 98 | Very high | 98 | Very high | 148 Ų | 148 | 91.5 Ų | 91.5 | 56% | 0.558 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -55.8 | -33.3 | 177.6 | -67 | 172.9 | -169.8 | 127.5 | 11.8 | 113.1 | E153 L161 | E153-R157 WeakPolarHBondContact O-CG 3.26Å; E153-R157 PolarHBondContact O-N 3.11Å; E153-R157 IonicContact OE2-CZ 3.61Å; E153-R157 IonicContact OE2-NH1 2.82Å; E153-R157 IonicContact OE2-NH2 3.87Å; E153-R157 PolarHBondContact OE2-NH2 2.9Å; R157-L161 WeakPolarHBondContact O-CB 3.32Å; R157-L161 PolarHBondContact O-N 2.98Å |
| 158 | Q | 98.1 | Very high | 97.9 | Very high | 101 Ų | 101 | 91.2 Ų | 91.2 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72.2 | -42 | 174.8 | -75 | 175.3 | 1.7 | 0 | 0 | 112.5 | T154 L155 K156 L162 | T154-Q158 VanDerWaalsContact O-CG 3.32Å; T154-Q158 WeakPolarHBondContact O-CG 3.36Å; T154-Q158 PolarHBondContact O-N 2.71Å; L155-Q158 PolarHBondContact O-N 2.83Å; K156-Q158 PolarHBondContact O-N 2.96Å; K156-Q158 VanDerWaalsContact O-N 3.12Å; Q158-L162 WeakPolarHBondContact O-CB 3.03Å; Q158-L162 VanDerWaalsContact O-CG 3.28Å; Q158-L162 WeakPolarHBondContact O-CG 3.2Å; Q158-L162 PolarHBondContact O-N 3.11Å |
| 159 | N | 97.9 | Very high | 97.8 | Very high | 88 Ų | 88 | 90.8 Ų | 90.8 | 47% | 0.471 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.8 | -48.1 | 173.7 | -69.2 | -7.4 | 0 | 0 | 0 | 111 | L155 K156 L161 L162 D163 | L155-N159 VanDerWaalsContact O-CG 3.32Å; L155-N159 PolarHBondContact O-N 3.07Å; L155-N159 PolarHBondContact O-OD1 3.39Å; K156-N159 CarbonylContact O-C 3.57Å; K156-N159 WeakPolarHBondContact O-CA 3.48Å; K156-N159 WeakPolarHBondContact O-CB 3.44Å; K156-N159 PolarHBondContact O-N 3.45Å; N159-L161 PolarHBondContact O-N 3.36Å; N159-L162 CarbonylContact O-C 3.57Å; N159-L162 PolarHBondContact O-N 3.36Å; N159-D163 WeakPolarHBondContact O-CB 3.21Å; N159-D163 PolarHBondContact O-N 3.17Å |
| 160 | D | 98.1 | Very high | 97.6 | Very high | 98 Ų | 98 | 92.6 Ų | 92.6 | 52% | 0.524 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -55 | -39.6 | 179.3 | -56.2 | -36.1 | 0 | 0 | 0 | 111.7 | K156 S164 | K156-D160 VanDerWaalsContact C-OD2 3.31Å; K156-D160 PolarHBondContact O-N 3.32Å; K156-D160 VanDerWaalsContact O-OD2 3.06Å; D160-S164 VanDerWaalsContact O-CB 3.3Å; D160-S164 WeakPolarHBondContact O-CB 3.43Å; D160-S164 PolarHBondContact O-N 2.75Å; D160-S164 PolarHBondContact O-OG 2.96Å |
| 161 | L | 98 | Very high | 97.4 | Very high | 123 Ų | 123 | 95.3 Ų | 95.3 | 64% | 0.644 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.7 | -42.8 | 175 | 177.6 | 62.6 | 0 | 0 | 0 | 112.6 | R157 N159 R165 | R157-L161 WeakPolarHBondContact O-CB 3.32Å; R157-L161 PolarHBondContact O-N 2.98Å; N159-L161 PolarHBondContact O-N 3.36Å; L161-R165 PolarHBondContact O-N 3.39Å |
| 162 | L | 97.9 | Very high | 97.2 | Very high | 109 Ų | 109 | 95.5 Ų | 95.5 | 57% | 0.571 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.7 | -44.2 | 177.6 | -73.4 | 170.6 | 0 | 0 | 0 | 111.5 | Q158 N159 S164 R165 V166 | Q158-L162 WeakPolarHBondContact O-CB 3.03Å; Q158-L162 VanDerWaalsContact O-CG 3.28Å; Q158-L162 WeakPolarHBondContact O-CG 3.2Å; Q158-L162 PolarHBondContact O-N 3.11Å; N159-L162 CarbonylContact O-C 3.57Å; N159-L162 PolarHBondContact O-N 3.36Å; L162-S164 VanDerWaalsContact C-N 3.34Å; L162-S164 PolarHBondContact O-N 3.07Å; L162-R165 CarbonylContact O-C 3.6Å; L162-R165 PolarHBondContact O-N 2.99Å; L162-R165 VanDerWaalsContact O-N 3.15Å; L162-V166 WeakPolarHBondContact O-CG2 3.4Å; L162-V166 PolarHBondContact O-N 3.32Å |
| 163 | D | 97.8 | Very high | 96.9 | Very high | 91 Ų | 91 | 95.3 Ų | 95.3 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 176.2 | -72.1 | -31.1 | 0 | 0 | 0 | 111 | N159 R165 V166 Q167 | N159-D163 WeakPolarHBondContact O-CB 3.21Å; N159-D163 PolarHBondContact O-N 3.17Å; D163-R165 VanDerWaalsContact C-N 3.32Å; D163-R165 PolarHBondContact O-N 3.32Å; D163-V166 PolarHBondContact O-N 3.24Å; D163-Q167 VanDerWaalsContact O-CG 3.3Å; D163-Q167 WeakPolarHBondContact O-CG 3.41Å; D163-Q167 PolarHBondContact O-N 3.1Å |
| 164 | S | 97.5 | Very high | 96.5 | Very high | 68 Ų | 68 | 97.9 Ų | 97.9 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.2 | -43.7 | 172 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | D160 L162 Q167 E168 | D160-S164 VanDerWaalsContact O-CB 3.3Å; D160-S164 WeakPolarHBondContact O-CB 3.43Å; D160-S164 PolarHBondContact O-N 2.75Å; D160-S164 PolarHBondContact O-OG 2.96Å; L162-S164 VanDerWaalsContact C-N 3.34Å; L162-S164 PolarHBondContact O-N 3.07Å; S164-Q167 PolarHBondContact O-N 3.03Å; S164-E168 PolarHBondContact O-N 2.9Å |
| 165 | R | 97.1 | Very high | 96.1 | Very high | 121 Ų | 121 | 102.2 Ų | 102.2 | 46% | 0.457 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.6 | -36 | 177.5 | -176.9 | 57.9 | 179.8 | -178.9 | 6.7 | 112.8 | L161 L162 D163 E168 L169 | L161-R165 PolarHBondContact O-N 3.39Å; L162-R165 CarbonylContact O-C 3.6Å; L162-R165 PolarHBondContact O-N 2.99Å; L162-R165 VanDerWaalsContact O-N 3.15Å; D163-R165 VanDerWaalsContact C-N 3.32Å; D163-R165 PolarHBondContact O-N 3.32Å; R165-E168 VanDerWaalsContact CD-OE2 3.3Å; R165-E168 WeakPolarHBondContact CD-OE2 3.29Å; R165-E168 IonicContact CZ-OE1 2.84Å; R165-E168 IonicContact CZ-OE2 3.69Å; R165-E168 IonicContact NE-OE2 3.91Å; R165-E168 IonicContact NH1-OE1 3.77Å; R165-E168 PolarHBondContact NH1-OE1 2.84Å; R165-E168 IonicContact NH1-OE2 3.71Å; R165-E168 PolarHBondContact NH1-OE2 2.82Å; R165-E168 PolarHBondContact O-N 3.43Å; R165-L169 HydrophobicContact CG-CD1 4.24Å; R165-L169 WeakPolarHBondContact O-CB 3.34Å; R165-L169 VanDerWaalsContact O-CG 3.31Å; R165-L169 WeakPolarHBondContact O-CG 3.38Å; R165-L169 PolarHBondContact O-N 3.48Å |
| 166 | V | 97.5 | Very high | 95.4 | Very high | 69 Ų | 69 | 104.6 Ų | 104.6 | 42% | 0.418 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 173.6 | 166.5 | 0 | 0 | 0 | 0 | 110.2 | L162 D163 E168 L169 Q170 | L162-V166 WeakPolarHBondContact O-CG2 3.4Å; L162-V166 PolarHBondContact O-N 3.32Å; D163-V166 PolarHBondContact O-N 3.24Å; V166-E168 VanDerWaalsContact C-N 3.35Å; V166-E168 PolarHBondContact O-N 2.95Å; V166-L169 PolarHBondContact O-N 2.96Å; V166-Q170 HydrophobicContact CG1-CG 4.4Å; V166-Q170 WeakPolarHBondContact O-CB 3.35Å; V166-Q170 VanDerWaalsContact O-CG 3.27Å; V166-Q170 WeakPolarHBondContact O-CG 3.4Å; V166-Q170 PolarHBondContact O-N 2.85Å |
| 167 | Q | 96.9 | Very high | 94.5 | Very high | 81 Ų | 81 | 103.7 Ų | 103.7 | 38% | 0.379 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 175 | -66.7 | 174.1 | 38.1 | 0 | 0 | 112.6 | D163 S164 R171 | D163-Q167 VanDerWaalsContact O-CG 3.3Å; D163-Q167 WeakPolarHBondContact O-CG 3.41Å; D163-Q167 PolarHBondContact O-N 3.1Å; S164-Q167 PolarHBondContact O-N 3.03Å; Q167-R171 VanDerWaalsContact CB-NH1 3.34Å; Q167-R171 WeakPolarHBondContact O-CB 3.46Å; Q167-R171 VanDerWaalsContact O-CG 3.23Å; Q167-R171 WeakPolarHBondContact O-CG 3.43Å; Q167-R171 PolarHBondContact O-N 3.28Å |
| 168 | E | 96.6 | Very high | 92.7 | Very high | 84 Ų | 84 | 99.2 Ų | 99.2 | 39% | 0.393 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 174.4 | -168.8 | -156.1 | 147.2 | 0 | 0 | 111.4 | S164 R165 V166 R171 L172 | S164-E168 PolarHBondContact O-N 2.9Å; R165-E168 VanDerWaalsContact CD-OE2 3.3Å; R165-E168 WeakPolarHBondContact CD-OE2 3.29Å; R165-E168 IonicContact CZ-OE1 2.84Å; R165-E168 IonicContact CZ-OE2 3.69Å; R165-E168 IonicContact NE-OE2 3.91Å; R165-E168 IonicContact NH1-OE1 3.77Å; R165-E168 PolarHBondContact NH1-OE1 2.84Å; R165-E168 IonicContact NH1-OE2 3.71Å; R165-E168 PolarHBondContact NH1-OE2 2.82Å; R165-E168 PolarHBondContact O-N 3.43Å; V166-E168 VanDerWaalsContact C-N 3.35Å; V166-E168 PolarHBondContact O-N 2.95Å; E168-R171 PolarHBondContact O-N 3.22Å; E168-L172 HydrophobicContact CG-CD1 4.42Å; E168-L172 PolarHBondContact O-N 3.32Å |
| 169 | L | 95.4 | Very high | 90.8 | Very high | 79 Ų | 79 | 102.2 Ų | 102.2 | 41% | 0.414 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 177.3 | -70.5 | 170.6 | 0 | 0 | 0 | 112.2 | R165 V166 L172 V173 | R165-L169 HydrophobicContact CG-CD1 4.24Å; R165-L169 WeakPolarHBondContact O-CB 3.34Å; R165-L169 VanDerWaalsContact O-CG 3.31Å; R165-L169 WeakPolarHBondContact O-CG 3.38Å; R165-L169 PolarHBondContact O-N 3.48Å; V166-L169 PolarHBondContact O-N 2.96Å; L169-L172 HydrophobicContact CD2-CD1 4.25Å; L169-L172 WeakPolarHBondContact O-CB 3.34Å; L169-L172 PolarHBondContact O-N 3.17Å; L169-L172 VanDerWaalsContact O-N 3.15Å; L169-V173 WeakPolarHBondContact O-CG2 3.3Å; L169-V173 PolarHBondContact O-N 3.4Å |
| 170 | Q | 94.9 | Very high | 88.6 | Confident | 119 Ų | 119 | 106.6 Ų | 106.6 | 56% | 0.556 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.8 | -43.7 | 172.2 | -74.2 | 167.9 | -13.9 | 0 | 0 | 111.5 | V166 L172 V173 Q174 | V166-Q170 HydrophobicContact CG1-CG 4.4Å; V166-Q170 WeakPolarHBondContact O-CB 3.35Å; V166-Q170 VanDerWaalsContact O-CG 3.27Å; V166-Q170 WeakPolarHBondContact O-CG 3.4Å; V166-Q170 PolarHBondContact O-N 2.85Å; Q170-L172 VanDerWaalsContact C-N 3.27Å; Q170-L172 PolarHBondContact O-N 3.35Å; Q170-V173 PolarHBondContact O-N 2.91Å; Q170-Q174 VanDerWaalsContact O-CB 3.24Å; Q170-Q174 WeakPolarHBondContact O-CB 3.42Å; Q170-Q174 PolarHBondContact O-N 3.28Å |
| 171 | R | 93.8 | Very high | 86.2 | Confident | 139 Ų | 139 | 108.5 Ų | 108.5 | 53% | 0.525 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66 | -26.4 | 174.2 | -70.1 | 171.6 | -168.1 | 116.8 | 6.1 | 113.1 | Q167 E168 R175 | Q167-R171 VanDerWaalsContact CB-NH1 3.34Å; Q167-R171 WeakPolarHBondContact O-CB 3.46Å; Q167-R171 VanDerWaalsContact O-CG 3.23Å; Q167-R171 WeakPolarHBondContact O-CG 3.43Å; Q167-R171 PolarHBondContact O-N 3.28Å; E168-R171 PolarHBondContact O-N 3.22Å; R171-R175 WeakPolarHBondContact O-CG 3.45Å; R171-R175 PolarHBondContact O-NH1 3.44Å |
| 172 | L | 93.7 | Very high | 83.5 | Confident | 67 Ų | 67 | 107.3 Ų | 107.3 | 35% | 0.351 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -74.3 | -50.7 | 173 | -82.2 | 157.7 | 0 | 0 | 0 | 111.4 | E168 L169 Q170 R175 M176 | E168-L172 HydrophobicContact CG-CD1 4.42Å; E168-L172 PolarHBondContact O-N 3.32Å; L169-L172 HydrophobicContact CD2-CD1 4.25Å; L169-L172 WeakPolarHBondContact O-CB 3.34Å; L169-L172 PolarHBondContact O-N 3.17Å; L169-L172 VanDerWaalsContact O-N 3.15Å; Q170-L172 VanDerWaalsContact C-N 3.27Å; Q170-L172 PolarHBondContact O-N 3.35Å; L172-R175 PolarHBondContact O-N 3.25Å; L172-M176 PolarHBondContact O-N 2.89Å |
| 173 | V | 92.5 | Very high | 80.7 | Confident | 70 Ų | 70 | 109.1 Ų | 109.1 | 42% | 0.424 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.7 | -49.5 | 177.9 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L169 Q170 R175 M176 D177 | L169-V173 WeakPolarHBondContact O-CG2 3.3Å; L169-V173 PolarHBondContact O-N 3.4Å; Q170-V173 PolarHBondContact O-N 2.91Å; V173-R175 PolarHBondContact O-N 2.93Å; V173-M176 HydrophobicContact CG2-CE 4.31Å; V173-M176 PolarHBondContact O-N 3.46Å; V173-D177 WeakPolarHBondContact CG1-OD2 3.39Å; V173-D177 PolarHBondContact O-N 3.18Å |
| 174 | Q | 90.4 | Very high | 78.2 | Confident | 138 Ų | 138 | 111.2 Ų | 111.2 | 65% | 0.645 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.6 | -22.3 | 179.6 | -175 | 60.5 | 93.1 | 0 | 0 | 114.1 | Q170 | Q170-Q174 VanDerWaalsContact O-CB 3.24Å; Q170-Q174 WeakPolarHBondContact O-CB 3.42Å; Q170-Q174 PolarHBondContact O-N 3.28Å |
| 175 | R | 90.1 | Very high | 75.6 | Confident | 147 Ų | 147 | 113.5 Ų | 113.5 | 56% | 0.555 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -81.4 | -34.5 | 171.6 | -75.6 | -171.1 | -60.8 | -96.8 | 6.5 | 113 | R171 L172 V173 E179 | R171-R175 WeakPolarHBondContact O-CG 3.45Å; R171-R175 PolarHBondContact O-NH1 3.44Å; L172-R175 PolarHBondContact O-N 3.25Å; V173-R175 PolarHBondContact O-N 2.93Å; R175-E179 WeakPolarHBondContact O-CG 3.47Å |
| 176 | M | 84.1 | Confident | 73 | Confident | 127 Ų | 127 | 114.2 Ų | 114.2 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.8 | -42.7 | 177 | -61.7 | -170 | -57.5 | 0 | 0 | 111 | L172 V173 G178 E179 | L172-M176 PolarHBondContact O-N 2.89Å; V173-M176 HydrophobicContact CG2-CE 4.31Å; V173-M176 PolarHBondContact O-N 3.46Å; M176-G178 PolarHBondContact O-N 2.88Å; M176-E179 PolarHBondContact O-N 3.25Å |
| 177 | D | 77.9 | Confident | 70.4 | Confident | 110 Ų | 110 | 115.9 Ų | 115.9 | 59% | 0.588 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -11.4 | 179.9 | -56.9 | -26.7 | 0 | 0 | 0 | 113.7 | V173 | V173-D177 WeakPolarHBondContact CG1-OD2 3.39Å; V173-D177 PolarHBondContact O-N 3.18Å |
| 178 | G | 61.2 | Low | 67.8 | Low | 55 Ų | 55 | 117.2 Ų | 117.2 | 57% | 0.567 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -13.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | M176 | M176-G178 PolarHBondContact O-N 2.88Š|
| 179 | E | 57.8 | Low | 65.3 | Low | 163 Ų | 163 | 118.4 Ų | 118.4 | 76% | 0.762 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -93.6 | -11.5 | -171.1 | -67.1 | -90.1 | 131.8 | 0 | 0 | 113.7 | R175 M176 V181 | R175-E179 WeakPolarHBondContact O-CG 3.47Å; M176-E179 PolarHBondContact O-N 3.25Å; E179-V181 PolarHBondContact O-N 3.07Å; E179-V181 VanDerWaalsContact O-N 3.1Å |
| 180 | E | 51.1 | Low | 63 | Low | 180 Ų | 180 | 119 Ų | 119 | 84% | 0.841 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 2.9 | -178.8 | -80.1 | -101.2 | 118.2 | 0 | 0 | 114.9 | ||
| 181 | V | 48.4 | Very low | 60.7 | Low | 138 Ų | 138 | 123.9 Ų | 123.9 | 84% | 0.836 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | 40.4 | -176.2 | -158.8 | 0 | 0 | 0 | 0 | 113.1 | E179 | E179-V181 PolarHBondContact O-N 3.07Å; E179-V181 VanDerWaalsContact O-N 3.1Å |
| 182 | C | 40.8 | Very low | 58.8 | Low | 98 Ų | 98 | 122.6 Ų | 122.6 | 66% | 0.662 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -154.7 | 172.6 | 154.6 | -149.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 183 | N | 40 | Very low | 56.6 | Low | 148 Ų | 148 | 126.9 Ų | 126.9 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | 69.2 | 73.5 | 167.2 | -53.3 | -39.9 | 0 | 0 | 0 | 118.1 | ||||
| 184 | T | 44.6 | Very low | 54.4 | Low | 135 Ų | 135 | 130 Ų | 130 | 83% | 0.828 | 74% | 0.738 | S | S | * | * | trans | -129.2 | 151.7 | 145.6 | 55 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 185 | P | 43.4 | Very low | 52.4 | Low | 116 Ų | 116 | 130.7 Ų | 130.7 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | cis | -136.2 | 120.8 | -33 | 33.6 | -15.9 | 0 | 0 | 0 | 112.8 | ||||
| 186 | T | 42.5 | Very low | 50.1 | Low | 136 Ų | 136 | 128 Ų | 128 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | -141.6 | 113.5 | 175.8 | -60.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 187 | S | 43.1 | Very low | 48.4 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | 43.7 | 109.5 | 146.2 | -53 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 188 | S | 41.3 | Very low | 47 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | 72.1 | 132.6 | 129.8 | 67 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 189 | S | 44 | Very low | 46.9 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | 95.4 | 154.8 | 147.9 | 87.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 190 | S | 48.5 | Very low | 46.7 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | 72.3 | 79.3 | 153.8 | -50.2 | 0 | 0 | 0 | 0 | 118.2 | T192 | S190-T192 PolarHBondContact O-N 2.74Š| ||
| 191 | F | 46.6 | Very low | 47 | Very low | 222 Ų | 222 | 126.8 Ų | 126.8 | 97% | 0.974 | 75% | 0.753 | S | S | * | * | trans | -53.9 | 119.8 | 155.6 | -58 | -86.9 | 0 | 0 | 0 | 110.1 | ||||
| 192 | T | 53 | Low | 47.7 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 69% | 0.693 | 73% | 0.732 | S | S | * | * | trans | -122.9 | 130.2 | 172.8 | 50.3 | 0 | 0 | 0 | 0 | 110.1 | S190 T194 | S190-T192 PolarHBondContact O-N 2.74Å; T192-T194 PolarHBondContact O-N 2.9Å | ||
| 193 | N | 47.3 | Very low | 48.3 | Very low | 156 Ų | 156 | 122.8 Ų | 122.8 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | trans | -78.6 | 103.7 | 178 | -67.7 | -65.9 | 0 | 0 | 0 | 109.2 | I195 | N193-I195 VanDerWaalsContact C-N 3.28Å; N193-I195 PolarHBondContact O-N 2.98Å | ||
| 194 | T | 46.2 | Very low | 49.5 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | trans | -73.9 | 80 | 173 | 38.5 | 0 | 0 | 0 | 0 | 111 | T192 S196 | T192-T194 PolarHBondContact O-N 2.9Å; T194-S196 PolarHBondContact O-N 3.29Å; T194-S196 VanDerWaalsContact O-N 3.09Å | ||
| 195 | I | 48.7 | Very low | 50.1 | Low | 152 Ų | 152 | 122.8 Ų | 122.8 | 78% | 0.779 | 71% | 0.707 | S | S | * | * | trans | -67.8 | 104.3 | 170.5 | -63.8 | 171 | 0 | 0 | 0 | 108.1 | N193 | N193-I195 VanDerWaalsContact C-N 3.28Å; N193-I195 PolarHBondContact O-N 2.98Å | ||
| 196 | S | 41.2 | Very low | 51.1 | Low | 92 Ų | 92 | 121.2 Ų | 121.2 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | trans | -79.5 | 127.1 | 173.9 | -170.9 | 0 | 0 | 0 | 0 | 109.9 | T194 N198 | T194-S196 PolarHBondContact O-N 3.29Å; T194-S196 VanDerWaalsContact O-N 3.09Å; S196-N198 PolarHBondContact O-N 3.21Å | ||
| 197 | P | 48.2 | Very low | 51.9 | Low | 129 Ų | 129 | 118.5 Ų | 118.5 | 84% | 0.838 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -83.2 | 47.2 | -171.7 | 35.2 | -37.7 | 0 | 0 | 0 | 113.2 | ||
| 198 | N | 48.5 | Very low | 52.5 | Low | 120 Ų | 120 | 119.3 Ų | 119.3 | 64% | 0.642 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -157.3 | 130.4 | 168.8 | -164.1 | -3.8 | 0 | 0 | 0 | 111.9 | S196 | S196-N198 PolarHBondContact O-N 3.21Š|
| 199 | N | 58.9 | Low | 53.1 | Low | 122 Ų | 122 | 116.7 Ų | 116.7 | 65% | 0.652 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 72.7 | 140.6 | -177.8 | -48.9 | -79 | 0 | 0 | 0 | 116.4 | V201 | N199-V201 PolarHBondContact O-N 2.72Š|
| 200 | N | 55.4 | Low | 53.8 | Low | 154 Ų | 154 | 117.2 Ų | 117.2 | 82% | 0.824 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -85.9 | 42 | -160.5 | -52.6 | -6.5 | 0 | 0 | 0 | 113.4 | ||
| 201 | V | 57.1 | Low | 54.6 | Low | 84 Ų | 84 | 117.5 Ų | 117.5 | 51% | 0.509 | 67% | 0.673 | S | S | . | * | trans | -115.7 | 102 | -169.1 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | N199 L203 | N199-V201 PolarHBondContact O-N 2.72Å; V201-L203 HydrophobicContact CG1-CD2 3.82Å; V201-L203 HydrophobicContact CG1-CG 4.18Å | ||
| 202 | A | 63.5 | Low | 55.3 | Low | 48 Ų | 48 | 110.1 Ų | 110.1 | 40% | 0.397 | 66% | 0.659 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.8 | 114.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L219 | A202-L219 PolarHBondContact O-N 3.43Å; A202-L219 VanDerWaalsContact O-N 3.1Å |
| 203 | L | 52.8 | Low | 55.6 | Low | 103 Ų | 103 | 109 Ų | 109 | 54% | 0.539 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.5 | 120.6 | 168 | -62.9 | -175.3 | 0 | 0 | 0 | 109.8 | V201 Y216 C218 | V201-L203 HydrophobicContact CG1-CD2 3.82Å; V201-L203 HydrophobicContact CG1-CG 4.18Å; L203-Y216 HydrophobicContact CB-CD1 4.27Å; L203-C218 HydrophobicContact CD2-CB 4.17Å |
| 204 | R | 65 | Low | 56.3 | Low | 185 Ų | 185 | 104.6 Ų | 104.6 | 70% | 0.698 | 63% | 0.632 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 133.8 | 163.8 | -90.1 | -175 | 170.4 | 170.2 | -2 | 110.2 | R217 | R204-R217 PolarHBondContact N-O 3.36Å; R204-R217 PolarHBondContact O-N 3.41Å |
| 205 | L | 57.9 | Low | 56.8 | Low | 99 Ų | 99 | 103.8 Ų | 103.8 | 52% | 0.518 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71 | 126.7 | 168.3 | -178.5 | 67 | 0 | 0 | 0 | 109.1 | P214 Y216 | L205-P214 HydrophobicContact CD1-CB 3.68Å; L205-Y216 HydrophobicContact CB-CE1 4.32Å; L205-Y216 HydrophobicContact CD1-CD1 4.41Å; L205-Y216 HydrophobicContact CD1-CE1 4.05Å |
| 206 | I | 63.9 | Low | 57.7 | Low | 82 Ų | 82 | 103.2 Ų | 103.2 | 42% | 0.421 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.5 | 79.8 | 176.8 | -53.2 | -170.4 | 0 | 0 | 0 | 108.9 | M215 R217 | I206-M215 PolarHBondContact N-O 3.19Å; I206-R217 HydrophobicContact CD1-CB 3.52Å; I206-R217 HydrophobicContact CD1-CG 4.21Å; I206-R217 HydrophobicContact CG1-CB 4.16Å |
| 207 | S | 58.9 | Low | 58.7 | Low | 80 Ų | 80 | 106.5 Ų | 106.5 | 56% | 0.559 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | 65.3 | 147.4 | 175 | -54.1 | 0 | 0 | 0 | 0 | 116.2 | T209 | S207-T209 PolarHBondContact O-N 2.93Å |
| 208 | P | 56.8 | Low | 59.1 | Low | 120 Ų | 120 | 103.7 Ų | 103.7 | 78% | 0.779 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.7 | 128.1 | 162.4 | 29.8 | -32.3 | 0 | 0 | 0 | 109.1 | ||
| 209 | T | 53.5 | Low | 59.7 | Low | 54 Ų | 54 | 101.2 Ų | 101.2 | 33% | 0.331 | 58% | 0.577 | S | S | . | * | trans | -84.5 | 150.9 | 170 | 65.4 | 0 | 0 | 0 | 0 | 109.9 | S207 S211 G212 V213 M215 | S207-T209 PolarHBondContact O-N 2.93Å; T209-S211 PolarHBondContact O-N 3.13Å; T209-G212 PolarHBondContact O-N 2.94Å; T209-V213 PolarHBondContact OG1-N 3.15Å; T209-V213 PolarHBondContact OG1-O 2.84Å; T209-M215 HydrophobicContact CG2-CG 4.27Å | ||
| 210 | A | 59 | Low | 59.3 | Low | 121 Ų | 121 | 100.4 Ų | 100.4 | 100% | 1 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -5.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 211 | S | 64.8 | Low | 59.1 | Low | 95 Ų | 95 | 100.9 Ų | 100.9 | 66% | 0.664 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 15.1 | 172.3 | 69.9 | 0 | 0 | 0 | 0 | 113.5 | T209 V213 | T209-S211 PolarHBondContact O-N 3.13Å; S211-V213 VanDerWaalsContact C-N 3.25Å; S211-V213 PolarHBondContact O-N 2.88Å |
| 212 | G | 61.1 | Low | 58.4 | Low | 67 Ų | 67 | 103.6 Ų | 103.6 | 69% | 0.691 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 75.9 | -0.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T209 P214 | T209-G212 PolarHBondContact O-N 2.94Å; G212-P214 WeakPolarHBondContact O-CD 3.5Å |
| 213 | V | 59.2 | Low | 57.5 | Low | 91 Ų | 91 | 107.4 Ų | 107.4 | 55% | 0.552 | 61% | 0.611 | S | S | * | * | trans | -90.7 | 119.8 | -177.9 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | T209 S211 | T209-V213 PolarHBondContact OG1-N 3.15Å; T209-V213 PolarHBondContact OG1-O 2.84Å; S211-V213 VanDerWaalsContact C-N 3.25Å; S211-V213 PolarHBondContact O-N 2.88Å | ||
| 214 | P | 61.3 | Low | 57.1 | Low | 63 Ų | 63 | 110.2 Ų | 110.2 | 41% | 0.409 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76 | 123.8 | 176.7 | 29.5 | -33.5 | 0 | 0 | 0 | 111.5 | L205 G212 Y216 | L205-P214 HydrophobicContact CD1-CB 3.68Å; G212-P214 WeakPolarHBondContact O-CD 3.5Å; P214-Y216 HydrophobicContact CB-CD2 4.46Å; P214-Y216 HydrophobicContact CB-CE2 3.76Å; P214-Y216 HydrophobicContact CG-CE2 3.79Å |
| 215 | M | 58.1 | Low | 55.8 | Low | 119 Ų | 119 | 110.1 Ų | 110.1 | 59% | 0.586 | 63% | 0.633 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.6 | 112.4 | 174.5 | -84.1 | -96.7 | -75.3 | 0 | 0 | 110.7 | I206 T209 | I206-M215 PolarHBondContact N-O 3.19Å; T209-M215 HydrophobicContact CG2-CG 4.27Å |
| 216 | Y | 67.1 | Low | 54.8 | Low | 139 Ų | 139 | 111.4 Ų | 111.4 | 55% | 0.545 | 65% | 0.65 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.2 | 172.8 | -63.9 | -81.9 | 0 | 0 | 0 | 111.1 | L203 L205 P214 | L203-Y216 HydrophobicContact CB-CD1 4.27Å; L205-Y216 HydrophobicContact CB-CE1 4.32Å; L205-Y216 HydrophobicContact CD1-CD1 4.41Å; L205-Y216 HydrophobicContact CD1-CE1 4.05Å; P214-Y216 HydrophobicContact CB-CD2 4.46Å; P214-Y216 HydrophobicContact CB-CE2 3.76Å; P214-Y216 HydrophobicContact CG-CE2 3.79Å |
| 217 | R | 62.2 | Low | 53.5 | Low | 161 Ų | 161 | 112.5 Ų | 112.5 | 61% | 0.608 | 67% | 0.665 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.7 | 171 | -171 | 175.1 | -172.2 | 176.2 | 4.3 | 110.3 | R204 I206 L219 | R204-R217 PolarHBondContact N-O 3.36Å; R204-R217 PolarHBondContact O-N 3.41Å; I206-R217 HydrophobicContact CD1-CB 3.52Å; I206-R217 HydrophobicContact CD1-CG 4.21Å; I206-R217 HydrophobicContact CG1-CB 4.16Å; R217-L219 HydrophobicContact CG-CD2 4.4Å |
| 218 | C | 56.2 | Low | 52.7 | Low | 71 Ų | 71 | 115.2 Ų | 115.2 | 48% | 0.48 | 68% | 0.679 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69 | 130.9 | 167.2 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | L203 | L203-C218 HydrophobicContact CD2-CB 4.17Å |
| 219 | L | 60.5 | Low | 51.6 | Low | 67 Ų | 67 | 115 Ų | 115 | 35% | 0.351 | 68% | 0.679 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.7 | 107.9 | 170.8 | -60.3 | 177.3 | 0 | 0 | 0 | 108.8 | A202 R217 | A202-L219 PolarHBondContact O-N 3.43Å; A202-L219 VanDerWaalsContact O-N 3.1Å; R217-L219 HydrophobicContact CG-CD2 4.4Å |
| 220 | S | 50.7 | Low | 51.1 | Low | 106 Ų | 106 | 118.2 Ų | 118.2 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | trans | -70.4 | 132.8 | 162.4 | -54.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 221 | Q | 51.3 | Low | 50.1 | Low | 164 Ų | 164 | 121.3 Ų | 121.3 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | trans | -108 | 126.4 | 166.9 | -71.4 | -174 | -45.7 | 0 | 0 | 109 | ||||
| 222 | D | 42.7 | Very low | 48.7 | Very low | 140 Ų | 140 | 122.6 Ų | 122.6 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | trans | -70.3 | 133.5 | 175.1 | -61 | -61 | 0 | 0 | 0 | 110.3 | L224 | D222-L224 PolarHBondContact O-N 3.36Š| ||
| 223 | P | 44.8 | Very low | 47.8 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | trans | -75.4 | 87.2 | 176.3 | 30.9 | -33.8 | 0 | 0 | 0 | 110.2 | ||||
| 224 | L | 45 | Very low | 46.8 | Very low | 162 Ų | 162 | 124.4 Ų | 124.4 | 85% | 0.848 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 143.9 | 174.1 | -76.9 | 177.4 | 0 | 0 | 0 | 112 | D222 | D222-L224 PolarHBondContact O-N 3.36Š|
| 225 | Q | 36.4 | Very low | 45.7 | Very low | 183 Ų | 183 | 128.5 Ų | 128.5 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 138 | -168.5 | -61.9 | 157.3 | 10.5 | 0 | 0 | 111.9 | ||
| 226 | S | 37.7 | Very low | 44.7 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 88% | 0.881 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 121.5 | 160.7 | -171.6 | 0 | 0 | 0 | 0 | 108.4 | ||
| 227 | S | 36.9 | Very low | 43.3 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -114.6 | 128.7 | -177.4 | 48.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 228 | T | 41.3 | Very low | 42.1 | Very low | 137 Ų | 137 | 122.6 Ų | 122.6 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | trans | -132.6 | 111.6 | 166 | 51.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 229 | S | 34.7 | Very low | 41.3 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -68.7 | 163.7 | -179.1 | -43 | 0 | 0 | 0 | 0 | 113 | ||||
| 230 | T | 42.8 | Very low | 40 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | -170.5 | 109.5 | 127 | -74.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 231 | E | 37.8 | Very low | 39.3 | Very low | 185 Ų | 185 | 136.5 Ų | 136.5 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | 61.5 | 167.5 | 146.9 | -61.3 | -176.2 | 126.1 | 0 | 0 | 122.8 | ||||
| 232 | C | 34.6 | Very low | 38.6 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | -139 | -143.9 | -155.9 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 233 | P | 42.2 | Very low | 38.2 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | -128.6 | 175.6 | -91.9 | 39.3 | -23.6 | 0 | 0 | 0 | 116 | |||||
| 234 | G | 38.4 | Very low | 37.9 | Very low | 64 Ų | 64 | 132.1 Ų | 132.1 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | trans | 154 | 159.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 235 | T | 38.4 | Very low | 37.6 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 92% | 0.92 | 80% | 0.803 | S | S | * | * | cis | -164.1 | 154.9 | -16.2 | -0.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 236 | A | 36.7 | Very low | 37.6 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -64.2 | 159 | -172.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 237 | S | 38.6 | Very low | 38.1 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | 175.1 | 156.9 | 122.3 | -166.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 238 | G | 36.6 | Very low | 38.2 | Very low | 62 Ų | 62 | 127.9 Ų | 127.9 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | trans | 138.7 | 77 | 161.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 239 | T | 39 | Very low | 38.1 | Very low | 127 Ų | 127 | 127 Ų | 127 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | 8.5 | 120.8 | 142.9 | 52.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 240 | E | 33.5 | Very low | 38.3 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | 66.8 | 126.3 | 75.3 | -73.9 | -164.6 | 174.7 | 0 | 0 | 117 | |||||
| 241 | Y | 36.9 | Very low | 38.2 | Very low | 238 Ų | 238 | 130 Ų | 130 | 93% | 0.933 | 78% | 0.783 | S | S | * | * | trans | -163 | 162.3 | 136 | -108.4 | -70.4 | 0 | 0 | 0 | 110.8 | ||||
| 242 | V | 36 | Very low | 38.2 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -137.8 | 140.6 | -153.5 | 173.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 243 | S | 34.4 | Very low | 38.5 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -179.3 | 135 | 145.1 | -78.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 244 | S | 38 | Very low | 38.3 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | cis | 76.1 | 133 | 49.2 | -150 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 245 | S | 38.6 | Very low | 38.4 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | cis | -157.2 | 138.7 | 15.4 | -23.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 246 | H | 36.6 | Very low | 38.2 | Very low | 178 Ų | 178 | 133.4 Ų | 133.4 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | 2.1 | 172.4 | 128.5 | -69.1 | -55.1 | 0 | 0 | 0 | 123.3 | |||||
| 247 | P | 49.2 | Very low | 38.3 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | cis | -152.2 | -171.9 | -33.7 | 43.5 | -24.7 | 0 | 0 | 0 | 117.7 | ||||
| 248 | S | 37 | Very low | 38.2 | Very low | 106 Ų | 106 | 136 Ų | 136 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | 78.5 | 161.8 | 148.9 | -59.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 249 | V | 39.6 | Very low | 37.9 | Very low | 118 Ų | 118 | 141 Ų | 141 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | -165.4 | 129.7 | 50.6 | 162.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 250 | L | 39 | Very low | 37.9 | Very low | 150 Ų | 150 | 139 Ų | 139 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 60 | 166.8 | 152.7 | -61.8 | 176.2 | 0 | 0 | 0 | 120.6 | ||||
| 251 | Q | 40.3 | Very low | 37.9 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | 179.8 | 159.1 | -23.9 | 172.7 | -176.7 | -11.7 | 0 | 0 | 108.3 | ||||
| 252 | S | 38.3 | Very low | 38 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | cis | -176 | -168.1 | -37 | -168.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 253 | Q | 41.1 | Very low | 38 | Very low | 175 Ų | 175 | 136 Ų | 136 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 90.5 | 144.3 | 167.4 | -62.9 | -179 | 1.5 | 0 | 0 | 121.5 | ||||
| 254 | K | 37.8 | Very low | 38.1 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | -138.9 | 160.9 | 174.3 | -57.9 | 179.9 | -179.8 | -178 | 0 | 107.9 | ||||
| 255 | P | 40.8 | Very low | 38.3 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | -145 | 147.6 | 97.7 | 30.5 | -11.5 | 0 | 0 | 0 | 113.5 | |||||
| 256 | V | 33.9 | Very low | 38.3 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | 63.2 | 94.7 | 71.6 | -173.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 257 | L | 39.4 | Very low | 38.5 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -157.9 | 164 | 147 | -69.6 | -176.2 | 0 | 0 | 0 | 106.9 | ||||
| 258 | T | 37.3 | Very low | 37.9 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | cis | -163.5 | 147.2 | -39.7 | -85.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 259 | M | 28.9 | Very low | 37.7 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -71.7 | 144.7 | -172.5 | -65.3 | -96.8 | -77.7 | 0 | 0 | 114.2 | ||||
| 260 | A | 39.9 | Very low | 37.9 | Very low | 86 Ų | 86 | 141.7 Ų | 141.7 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -136.4 | 127.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 261 | N | 32.7 | Very low | 37.9 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -95.7 | 129.6 | -176.4 | -56.3 | -64.8 | 0 | 0 | 0 | 111.2 | ||||
| 262 | Y | 39.9 | Very low | 38.1 | Very low | 222 Ų | 222 | 139.3 Ų | 139.3 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | trans | -137.5 | 136.9 | 162.2 | -74.4 | -74.5 | 0 | 0 | 0 | 111.7 | ||||
| 263 | S | 35.1 | Very low | 38.1 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -88.7 | 140.5 | -167.8 | -53.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 264 | P | 37.6 | Very low | 38.2 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -82.3 | 118.9 | 171 | 31.9 | -32 | 0 | 0 | 0 | 111.5 | ||||
| 265 | S | 41.8 | Very low | 38.1 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -106.7 | 100.7 | 175.5 | -76.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 266 | V | 38.8 | Very low | 37.9 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | 20.2 | 115.5 | 145.5 | -165.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 267 | L | 39.7 | Very low | 38.2 | Very low | 183 Ų | 183 | 139.7 Ų | 139.7 | 96% | 0.958 | 78% | 0.779 | S | S | * | * | trans | 177.9 | 168.8 | 131.3 | -97.6 | 158.8 | 0 | 0 | 0 | 111.2 | ||||
| 268 | G | 36.7 | Very low | 38.2 | Very low | 69 Ų | 69 | 137.6 Ų | 137.6 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 108.2 | 35 | 163.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | A270 | G268-A270 PolarHBondContact O-N 2.84Š| ||
| 269 | R | 32.7 | Very low | 38.1 | Very low | 230 Ų | 230 | 138.6 Ų | 138.6 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | -73.2 | 104.8 | 174.9 | -178.5 | -176.2 | 180 | 178.3 | 3 | 112.2 | ||||
| 270 | A | 44.6 | Very low | 38.7 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | -113.8 | 122 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G268 | G268-A270 PolarHBondContact O-N 2.84Š| ||
| 271 | N | 38.1 | Very low | 38.6 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | trans | -92.1 | 105.6 | 174.7 | -77.1 | 9.2 | 0 | 0 | 0 | 109.8 | ||||
| 272 | T | 44.9 | Very low | 38.9 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -91.9 | 108.8 | 173 | -37.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 273 | V | 39.6 | Very low | 39.1 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 66% | 0.661 | 77% | 0.773 | S | S | * | * | trans | -89.3 | 105.5 | 176.1 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 274 | M | 42.7 | Very low | 39.3 | Very low | 143 Ų | 143 | 135 Ų | 135 | 70% | 0.704 | 78% | 0.777 | S | S | * | * | trans | -86.2 | 109.6 | 173.4 | -70.6 | -64.5 | -74.8 | 0 | 0 | 110.5 | F276 | M274-F276 HydrophobicContact CB-CE2 4.4Å; M274-F276 PolarHBondContact O-N 3.11Å | ||
| 275 | H | 35.9 | Very low | 39.2 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -79.2 | 111.2 | 172.3 | -76.2 | -97 | 0 | 0 | 0 | 110.5 | ||||
| 276 | F | 36.8 | Very low | 39.2 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -81.6 | 118.8 | 168.6 | -70.8 | -86.4 | 0 | 0 | 0 | 110.2 | M274 | M274-F276 HydrophobicContact CB-CE2 4.4Å; M274-F276 PolarHBondContact O-N 3.11Å | ||
| 277 | V | 38.9 | Very low | 39.1 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | trans | -99.2 | 96.9 | 173.1 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | N279 | V277-N279 PolarHBondContact O-N 3.24Š| ||
| 278 | T | 39.8 | Very low | 38.8 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -77.6 | 97.7 | 171.2 | 46.8 | 0 | 0 | 0 | 0 | 110 | T280 | T278-T280 PolarHBondContact O-N 3.2Š| ||
| 279 | N | 34.7 | Very low | 39.1 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -87.1 | 104.4 | 176.8 | -162.4 | 21.8 | 0 | 0 | 0 | 110.2 | V277 | V277-N279 PolarHBondContact O-N 3.24Š| ||
| 280 | T | 42 | Very low | 39.3 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | trans | -111.7 | 101.3 | -179.4 | 52.4 | 0 | 0 | 0 | 0 | 111.1 | T278 A282 | T278-T280 PolarHBondContact O-N 3.2Å; T280-A282 PolarHBondContact O-N 2.97Å | ||
| 281 | S | 38.7 | Very low | 39.3 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -81.6 | 99.9 | 177.4 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 282 | A | 37.7 | Very low | 39.2 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -71.7 | 138 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T280 | T280-A282 PolarHBondContact O-N 2.97Š| ||
| 283 | I | 45.1 | Very low | 39.2 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -117.1 | 138.3 | 173.4 | 45.8 | 174.4 | 0 | 0 | 0 | 109.7 | ||||
| 284 | N | 37.7 | Very low | 39.2 | Very low | 159 Ų | 159 | 132.4 Ų | 132.4 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -74 | 135.8 | -166.1 | -67.1 | -30.4 | 0 | 0 | 0 | 113 | ||||
| 285 | S | 35.5 | Very low | 39.1 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 88% | 0.881 | 80% | 0.804 | S | S | * | * | trans | -85.7 | 133.2 | 160.6 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 286 | T | 43 | Very low | 39.5 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -139.2 | 150.6 | 171.2 | 52.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 287 | G | 36.6 | Very low | 39.5 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 111.9 | 62.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 288 | G | 32.5 | Very low | 39.7 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | -86.8 | 136.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 289 | L | 43.8 | Very low | 39.6 | Very low | 182 Ų | 182 | 129.2 Ų | 129.2 | 95% | 0.953 | 82% | 0.815 | S | S | * | * | trans | -113.1 | 143.8 | 170.5 | -76.2 | 171.5 | 0 | 0 | 0 | 109.7 | ||||
| 290 | A | 36 | Very low | 39.8 | Very low | 87 Ų | 87 | 128.1 Ų | 128.1 | 72% | 0.719 | 82% | 0.819 | S | S | * | * | trans | -104.3 | 151.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 291 | T | 45.8 | Very low | 39.5 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -145.5 | 130 | 153.9 | 47.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 292 | D | 35.5 | Very low | 39.7 | Very low | 148 Ų | 148 | 127.1 Ų | 127.1 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -83.2 | 158.5 | -171.2 | -43.3 | -96 | 0 | 0 | 0 | 113.3 | ||||
| 293 | S | 45.2 | Very low | 39.9 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | 171 | 97.8 | 125 | -77.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 294 | N | 40.1 | Very low | 39.7 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | 18 | 123.8 | 139.7 | -75 | -16.1 | 0 | 0 | 0 | 122.5 | ||||
| 295 | T | 40.5 | Very low | 39.8 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 73% | 0.73 | 81% | 0.81 | S | S | * | * | 88.7 | 151.6 | 126.1 | 62 | 0 | 0 | 0 | 0 | 123 | |||||
| 296 | T | 44.2 | Very low | 40.3 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | 77.1 | 117 | 170.1 | 68.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 297 | S | 35.8 | Very low | 40 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -101.4 | 130.7 | 169.3 | 54.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 298 | L | 43.5 | Very low | 41 | Very low | 180 Ų | 180 | 129.7 Ų | 129.7 | 94% | 0.942 | 81% | 0.806 | S | S | * | * | trans | -139.8 | 149.2 | 155.3 | -81.7 | -175.5 | 0 | 0 | 0 | 111.1 | ||||
| 299 | V | 38.4 | Very low | 41.6 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | -93.4 | 138.2 | -178.4 | 37.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 300 | S | 38.1 | Very low | 41.3 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -164.1 | 139.3 | 148.1 | -83.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 301 | S | 34.9 | Very low | 42 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -89.4 | 155.1 | 171.5 | -50.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 302 | S | 43.4 | Very low | 41.8 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | 166.3 | 121.5 | 131.6 | -80.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 303 | H | 41.7 | Very low | 42.7 | Very low | 181 Ų | 181 | 128.7 Ų | 128.7 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | 55.1 | 162.3 | 133.7 | -54.7 | -61.7 | 0 | 0 | 0 | 123.8 | ||||
| 304 | S | 41.5 | Very low | 42.7 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | 64.9 | 110.6 | 179.5 | -141.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 305 | A | 41 | Very low | 43.2 | Very low | 88 Ų | 88 | 128.2 Ų | 128.2 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | cis | 70.2 | 110.7 | 43 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 306 | F | 45.4 | Very low | 43.4 | Very low | 204 Ų | 204 | 128 Ų | 128 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | trans | -161 | 138.1 | 158 | -118.3 | -76 | 0 | 0 | 0 | 109.9 | ||||
| 307 | S | 36.2 | Very low | 43.4 | Very low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -132.6 | 136 | 173.5 | -58.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 308 | P | 57.9 | Low | 44.1 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -89 | 142.6 | 168.8 | 34 | -31 | 0 | 0 | 0 | 111.4 | ||
| 309 | S | 44.1 | Very low | 44.1 | Very low | 119 Ų | 119 | 122 Ų | 122 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -91 | 164.8 | -179 | -59.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 310 | V | 38.4 | Very low | 44.7 | Very low | 137 Ų | 137 | 122.2 Ų | 122.2 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 157.2 | 175.1 | -64.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 311 | S | 49.7 | Very low | 44.9 | Very low | 128 Ų | 128 | 120.6 Ų | 120.6 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -147 | 126.2 | 157.4 | -74.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 312 | S | 42.4 | Very low | 45.2 | Very low | 117 Ų | 117 | 127 Ų | 127 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -112.4 | 150.6 | 177.2 | 48.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 313 | S | 54.1 | Low | 45.6 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -151.2 | 109.7 | 175 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 314 | D | 45.5 | Very low | 45.7 | Very low | 172 Ų | 172 | 126.9 Ų | 126.9 | 92% | 0.92 | 81% | 0.814 | S | S | * | * | trans | -71.3 | 149.5 | 173.1 | -67.7 | -68.2 | 0 | 0 | 0 | 111.9 | ||||
| 315 | G | 50.5 | Low | 46 | Very low | 82 Ų | 82 | 128 Ų | 128 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | trans | -152.4 | 120.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 316 | S | 45.2 | Very low | 46.2 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | trans | -125.9 | 158.4 | -164 | -173 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 317 | S | 44.3 | Very low | 46.2 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 69% | 0.685 | 83% | 0.829 | S | S | * | * | trans | 98.7 | 150.1 | 149.7 | 82.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 318 | T | 49.1 | Very low | 46.9 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 85% | 0.847 | 83% | 0.829 | S | S | * | * | trans | 79.8 | 121.4 | 163.6 | 68.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 319 | G | 44.4 | Very low | 46.4 | Very low | 69 Ų | 69 | 133.7 Ų | 133.7 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | trans | -129.1 | -151.9 | 138.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 320 | P | 51.9 | Low | 47 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | cis | -137.2 | -158.6 | -6.9 | 41.3 | -21.6 | 0 | 0 | 0 | 113.4 | ||||
| 321 | A | 42.1 | Very low | 47.2 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 72% | 0.719 | 83% | 0.827 | S | S | * | * | trans | 89.5 | 109.5 | 150.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 322 | R | 41.6 | Very low | 46.9 | Very low | 244 Ų | 244 | 129.2 Ų | 129.2 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | 48.2 | 113.4 | 127.7 | -66.9 | -178.6 | 162.6 | -141 | -3.7 | 122.5 | |||||
| 323 | S | 49.7 | Very low | 47 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | -174.4 | 127.7 | 126 | -81.4 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 324 | L | 45.8 | Very low | 46.7 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 86% | 0.859 | 83% | 0.834 | S | S | * | * | 58.7 | 98.1 | 78.4 | -69.8 | 179.7 | 0 | 0 | 0 | 115.6 | |||||
| 325 | S | 47.7 | Very low | 46.4 | Very low | 131 Ų | 131 | 130 Ų | 130 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -174.1 | 158.8 | 135.6 | -87.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 326 | Q | 45.2 | Very low | 46.1 | Very low | 185 Ų | 185 | 131.5 Ų | 131.5 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | trans | -93.8 | 153.2 | -168.5 | -55.9 | 160 | -13.2 | 0 | 0 | 113.8 | ||||
| 327 | R | 45.2 | Very low | 46 | Very low | 240 Ų | 240 | 130.6 Ų | 130.6 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | 164.4 | 156.5 | 146.4 | -93.6 | 157.6 | -176.9 | -80 | 0 | 109.6 | ||||
| 328 | S | 50.8 | Low | 45.8 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | cis | -172.2 | 152.3 | -30.1 | -92 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 329 | S | 45.7 | Very low | 45.4 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -68.1 | 166.9 | -178.3 | -32.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 330 | P | 58.3 | Low | 45.2 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | -131.6 | -178.3 | 63.1 | 24.1 | -1.2 | 0 | 0 | 0 | 113.3 | |||||
| 331 | G | 41.5 | Very low | 45 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | cis | 125.9 | 124.3 | 0.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 332 | G | 43.5 | Very low | 44.7 | Very low | 80 Ų | 80 | 137.7 Ų | 137.7 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | 158.2 | 119.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 333 | L | 45.9 | Very low | 45.1 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -112.3 | 140.3 | 171.4 | -67 | 170.6 | 0 | 0 | 0 | 109.3 | ||||
| 334 | S | 47 | Very low | 44.7 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 94% | 0.937 | 83% | 0.826 | S | S | * | * | trans | -165.4 | 139.2 | 159.4 | -82.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 335 | S | 39.4 | Very low | 44.5 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | -127.6 | 121.9 | -177.1 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 336 | S | 44 | Very low | 44.2 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | trans | -161.4 | 116.8 | 164.7 | -78.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 337 | S | 42.4 | Very low | 44.1 | Very low | 97 Ų | 97 | 138.7 Ų | 138.7 | 68% | 0.678 | 83% | 0.828 | S | S | * | * | 84.3 | 131.1 | 58.1 | 76.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 338 | N | 39.9 | Very low | 43.7 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | 82.9 | 164.1 | 161.1 | -59.3 | -17.6 | 0 | 0 | 0 | 121.9 | ||||
| 339 | T | 40.9 | Very low | 43.1 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | trans | 69.4 | 81.6 | 171.2 | 55.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 340 | S | 41.1 | Very low | 42.8 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | trans | -31.9 | 132 | 141.5 | 168.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 341 | S | 48.3 | Very low | 42.5 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | -160 | 132.1 | 138.1 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 342 | N | 34.7 | Very low | 42.7 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -73.2 | 149.3 | 164.3 | -108.1 | -29.4 | 0 | 0 | 0 | 108.9 | ||||
| 343 | P | 50.7 | Low | 42.6 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | -137.8 | 148 | 111.3 | 36.9 | -27.3 | 0 | 0 | 0 | 114.4 | |||||
| 344 | T | 39.8 | Very low | 42.5 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -63.9 | 129.4 | 165.9 | 31.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 345 | S | 43.6 | Very low | 42.3 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -150.8 | 147 | 161.2 | -92 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 346 | R | 41.2 | Very low | 42.3 | Very low | 249 Ų | 249 | 148.8 Ų | 148.8 | 94% | 0.94 | 80% | 0.803 | S | S | * | * | trans | -77.8 | 136.7 | -172.5 | -57.2 | 171.2 | 178.7 | -172.6 | -2.2 | 110.7 | ||||
| 347 | R | 41.4 | Very low | 42.2 | Very low | 237 Ų | 237 | 147.6 Ų | 147.6 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | -148.5 | 125.5 | 142.5 | -115.5 | 174 | -177.7 | -120.4 | -1.5 | 109.4 | ||||
| 348 | S | 37.1 | Very low | 42.2 | Very low | 103 Ų | 103 | 149.8 Ų | 149.8 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | -73.8 | 125.1 | 168.1 | 54.3 | 0 | 0 | 0 | 0 | 108.2 | R350 | S348-R350 PolarHBondContact O-N 3.33Š| ||
| 349 | F | 39.5 | Very low | 41.9 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -74.7 | 112.3 | 158 | -77 | -85.4 | 0 | 0 | 0 | 107.6 | ||||
| 350 | R | 39.7 | Very low | 41.9 | Very low | 191 Ų | 191 | 152.3 Ų | 152.3 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | trans | -82.3 | 132.1 | 153 | -65.8 | -175.8 | 173.6 | -140.9 | 1.6 | 106.9 | S348 D352 | S348-R350 PolarHBondContact O-N 3.33Å; R350-D352 WeakPolarHBondContact CB-OD2 3.49Å; R350-D352 WeakPolarHBondContact CD-OD2 3.39Å; R350-D352 IonicContact NH1-OD1 2.68Å | ||
| 351 | T | 50.9 | Low | 41.7 | Very low | 138 Ų | 138 | 153.8 Ų | 153.8 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | -114.7 | 78.9 | 159.9 | 50.6 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 352 | D | 45.6 | Very low | 41.5 | Very low | 104 Ų | 104 | 155.3 Ų | 155.3 | 56% | 0.556 | 81% | 0.808 | S | S | * | * | trans | -71.1 | 139.5 | 171 | -54.2 | -64 | 0 | 0 | 0 | 108.1 | R350 | R350-D352 WeakPolarHBondContact CB-OD2 3.49Å; R350-D352 WeakPolarHBondContact CD-OD2 3.39Å; R350-D352 IonicContact NH1-OD1 2.68Å | ||
| 353 | D | 41.3 | Very low | 41.7 | Very low | 151 Ų | 151 | 154.5 Ų | 154.5 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | trans | 37.7 | 108.3 | 154.7 | -49.3 | -37.8 | 0 | 0 | 0 | 120.7 | ||||
| 354 | D | 43.8 | Very low | 41.2 | Very low | 149 Ų | 149 | 155.3 Ų | 155.3 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | -172.1 | 105 | 118.5 | -120.5 | -27.4 | 0 | 0 | 0 | 112.8 | |||||
| 355 | Y | 44.1 | Very low | 41.5 | Very low | 236 Ų | 236 | 155.1 Ų | 155.1 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -157.5 | 45 | 166.2 | -125.8 | -79.6 | 0 | 0 | 0 | 113.3 | ||||
| 356 | S | 39.4 | Very low | 41.2 | Very low | 121 Ų | 121 | 153.3 Ų | 153.3 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -137.9 | 54.1 | -174.7 | -166 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 357 | A | 40 | Very low | 41 | Very low | 87 Ų | 87 | 147.5 Ų | 147.5 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | trans | -148.9 | 40.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 358 | V | 43.8 | Very low | 41 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | -117.7 | 52.1 | 174.7 | -157.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 359 | S | 34.2 | Very low | 41.5 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -147.7 | 81.5 | 171.4 | -77.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 360 | R | 40.1 | Very low | 41.5 | Very low | 219 Ų | 219 | 145.3 Ų | 145.3 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -134.6 | 118.8 | 165.9 | -72.2 | -164 | -178.8 | -156.9 | 2.1 | 111.2 | ||||
| 361 | E | 37.4 | Very low | 41.6 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 72% | 0.724 | 81% | 0.814 | S | S | * | * | trans | 50.3 | 76.4 | 134.8 | -59.6 | 167.4 | 134.6 | 0 | 0 | 117.2 | ||||
| 362 | V | 44.1 | Very low | 41.5 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -92.8 | 99.5 | 147.6 | -76.2 | 0 | 0 | 0 | 0 | 108.9 | S364 | V362-S364 PolarHBondContact O-N 3.37Š| ||
| 363 | N | 38.7 | Very low | 41 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 74% | 0.743 | 82% | 0.823 | S | S | * | * | trans | -66.2 | 124.6 | -177.3 | -77.4 | -26 | 0 | 0 | 0 | 111.6 | T365 | N363-T365 PolarHBondContact O-N 3.3Š| ||
| 364 | S | 39 | Very low | 41.1 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | trans | -84.1 | 88.6 | 176.5 | -67.6 | 0 | 0 | 0 | 0 | 111.3 | V362 | V362-S364 PolarHBondContact O-N 3.37Š| ||
| 365 | T | 45.8 | Very low | 41 | Very low | 131 Ų | 131 | 140 Ų | 140 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -95.9 | 104.1 | 161.9 | 52.4 | 0 | 0 | 0 | 0 | 109 | N363 | N363-T365 PolarHBondContact O-N 3.3Š| ||
| 366 | G | 37.5 | Very low | 40.9 | Very low | 86 Ų | 86 | 136.1 Ų | 136.1 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -75.3 | 136.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 367 | S | 38 | Very low | 41 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 88% | 0.881 | 81% | 0.813 | S | S | * | * | trans | -138.3 | 122.5 | 156.5 | -168.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 368 | L | 41.2 | Very low | 40.8 | Very low | 172 Ų | 172 | 134.3 Ų | 134.3 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | -115.2 | 119.6 | -176.1 | -101.9 | 172.2 | 0 | 0 | 0 | 108.2 | ||||
| 369 | E | 47.7 | Very low | 40.9 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -162.2 | 159.9 | 156.1 | -122.7 | 164.2 | -154 | 0 | 0 | 113 | ||||
| 370 | N | 39.2 | Very low | 41 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | trans | 68.3 | 85.9 | 166.3 | -57.4 | -33.7 | 0 | 0 | 0 | 118.8 | ||||
| 371 | I | 42.5 | Very low | 41.3 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -110.6 | 119.1 | 151.3 | -60.2 | 173.2 | 0 | 0 | 0 | 108 | ||||
| 372 | P | 48 | Very low | 41.5 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -87.4 | 137.1 | 169.7 | 33.1 | -31.2 | 0 | 0 | 0 | 111.5 | ||||
| 373 | T | 35.9 | Very low | 41.5 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -108.8 | 142.4 | 178.8 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 374 | S | 42.2 | Very low | 41.8 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -150.2 | 134.3 | 161.8 | -65.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 375 | A | 43 | Very low | 41.7 | Very low | 96 Ų | 96 | 133 Ų | 133 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | 62.9 | 127.9 | 57.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 376 | D | 40.4 | Very low | 41.9 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | cis | -148.1 | 174 | 9.4 | -177.6 | 21 | 0 | 0 | 0 | 110.3 | ||||
| 377 | G | 43.1 | Very low | 42.1 | Very low | 71 Ų | 71 | 140.8 Ų | 140.8 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 168.1 | 45.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 378 | T | 35.3 | Very low | 42 | Very low | 98 Ų | 98 | 142.3 Ų | 142.3 | 60% | 0.601 | 80% | 0.799 | S | S | * | * | trans | -86.7 | 133.5 | -179.2 | -61.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 379 | T | 45.3 | Very low | 42.2 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -136.8 | 134.9 | 156.7 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 380 | H | 37.6 | Very low | 41.7 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -113.6 | 139.8 | -177.1 | -77.2 | -84.3 | 0 | 0 | 0 | 112.2 | ||||
| 381 | S | 46.4 | Very low | 41.9 | Very low | 123 Ų | 123 | 145 Ų | 145 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | 175.8 | 158.3 | 141.3 | 41 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 382 | N | 40.6 | Very low | 41.7 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | cis | -164.3 | 144 | -42 | -155.6 | -3.9 | 0 | 0 | 0 | 109.6 | ||||
| 383 | I | 45 | Very low | 41.6 | Very low | 139 Ų | 139 | 142.5 Ų | 142.5 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | 54.9 | 152.4 | 166.8 | 16.5 | 174.8 | 0 | 0 | 0 | 118.1 | ||||
| 384 | K | 43.9 | Very low | 42 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 78% | 0.778 | 81% | 0.805 | S | S | * | * | cis | -141.4 | 154.6 | 10.8 | -59 | 178.8 | 179.1 | 171.4 | 0 | 111.7 | ||||
| 385 | P | 38 | Very low | 42 | Very low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -87.5 | 149.5 | 170.8 | 35.2 | -33.9 | 0 | 0 | 0 | 113 | ||||
| 386 | V | 48.3 | Very low | 42.6 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -127 | 120.2 | 172.1 | -179.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 387 | R | 41.6 | Very low | 42.9 | Very low | 236 Ų | 236 | 141.7 Ų | 141.7 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -25.3 | 138.9 | 170.9 | -164.6 | 179.3 | -171.8 | 101.3 | -2.1 | 118.7 | ||||
| 388 | L | 37.4 | Very low | 42.8 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | trans | -49.7 | 144.2 | 166.4 | -63.6 | 159.5 | 0 | 0 | 0 | 114.5 | ||||
| 389 | Q | 44.5 | Very low | 43.7 | Very low | 190 Ų | 190 | 151.2 Ų | 151.2 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | trans | -138 | 131.9 | 143.4 | -72.4 | -161.6 | 16.2 | 0 | 0 | 110.5 | ||||
| 390 | S | 37 | Very low | 44.1 | Very low | 113 Ų | 113 | 149.6 Ų | 149.6 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -84.8 | 133.7 | -179.4 | -46.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 391 | R | 44.6 | Very low | 45.4 | Very low | 244 Ų | 244 | 147 Ų | 147 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -137.1 | 121.2 | 160.7 | -78.9 | -164.6 | 163.7 | -139.6 | -6.4 | 111.1 | ||||
| 392 | S | 37.1 | Very low | 46.2 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | -92.9 | 132.3 | 179.8 | -44.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 393 | S | 45.9 | Very low | 47.2 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | -156.6 | 113.6 | 166.4 | 55.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 394 | S | 44.9 | Very low | 47.5 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | 44.9 | 108.4 | 147.7 | 58 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 395 | S | 42.3 | Very low | 47.5 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 141.9 | 157.2 | -42.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 396 | P | 56.4 | Low | 47.7 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 147.3 | 159.5 | 33.1 | -31.9 | 0 | 0 | 0 | 111 | ||
| 397 | S | 45.8 | Very low | 47.6 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 154.8 | -173.9 | -62.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 398 | R | 41.9 | Very low | 48.2 | Very low | 251 Ų | 251 | 139.1 Ų | 139.1 | 95% | 0.947 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 133 | 168.8 | -68.5 | 165.7 | 152.8 | -143.1 | -3.2 | 111.6 | ||
| 399 | S | 52.2 | Low | 49.1 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 143.8 | 157.4 | 51.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 400 | S | 54.6 | Low | 49.2 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86 | 152.4 | -177.7 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 401 | P | 64.4 | Low | 50 | Low | 115 Ų | 115 | 136.6 Ų | 136.6 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 151.5 | 169.2 | 31.1 | -35.2 | 0 | 0 | 0 | 111.3 | ||
| 402 | P | 64.3 | Low | 49.9 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 152.1 | 175.6 | 31.6 | -35.3 | 0 | 0 | 0 | 111.9 | ||
| 403 | P | 60.6 | Low | 50 | Low | 115 Ų | 115 | 131.4 Ų | 131.4 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76 | 140 | 178.2 | 31.3 | -34.6 | 0 | 0 | 0 | 112.2 | L405 | P403-L405 PolarHBondContact O-N 3.11Š|
| 404 | I | 51 | Low | 50 | Low | 173 Ų | 173 | 130.9 Ų | 130.9 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -75.8 | 110.7 | 167.8 | 38.6 | 170.2 | 0 | 0 | 0 | 110.3 | ||||
| 405 | L | 44 | Very low | 50.1 | Low | 156 Ų | 156 | 135.2 Ų | 135.2 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | -88.1 | 104.3 | 168.5 | -79.6 | 171.1 | 0 | 0 | 0 | 109.9 | P403 | P403-L405 PolarHBondContact O-N 3.11Š| ||
| 406 | S | 42.4 | Very low | 50.3 | Low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -81.5 | 109.7 | 165.5 | 60 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 407 | T | 46.9 | Very low | 49.8 | Very low | 121 Ų | 121 | 141 Ų | 141 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -124.8 | 101.1 | 171.8 | -53.4 | 0 | 0 | 0 | 0 | 109.3 | P409 | T407-P409 WeakPolarHBondContact O-CD 3.23Š| ||
| 408 | V | 54.6 | Low | 49.8 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -94.6 | 116.2 | 175 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | T410 | V408-T410 PolarHBondContact O-N 2.82Å; V408-T410 VanDerWaalsContact O-N 3.13Å | ||
| 409 | P | 56.5 | Low | 50 | Low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -82.7 | 86.6 | 176.2 | 32.6 | -33.1 | 0 | 0 | 0 | 110.8 | T407 L411 | T407-P409 WeakPolarHBondContact O-CD 3.23Å; P409-L411 PolarHBondContact O-N 2.91Å | ||
| 410 | T | 46.1 | Very low | 50.2 | Low | 125 Ų | 125 | 134 Ų | 134 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | trans | -76 | 101.9 | 168.4 | -52.8 | 0 | 0 | 0 | 0 | 109.4 | V408 | V408-T410 PolarHBondContact O-N 2.82Å; V408-T410 VanDerWaalsContact O-N 3.13Å | ||
| 411 | L | 52.7 | Low | 49.8 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -95.3 | 150.8 | 169 | -82.2 | 176.4 | 0 | 0 | 0 | 112 | P409 | P409-L411 PolarHBondContact O-N 2.91Š| ||
| 412 | L | 43.2 | Very low | 49 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | -101.3 | 154.6 | -158 | -166.3 | 63.9 | 0 | 0 | 0 | 113.2 | ||||
| 413 | S | 38.8 | Very low | 48.2 | Very low | 93 Ų | 93 | 140 Ų | 140 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | trans | -40.9 | 135.9 | 175.5 | -174.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 414 | A | 46.7 | Very low | 47.5 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -140.9 | 137.9 | 151.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 415 | Y | 46.6 | Very low | 47.2 | Very low | 203 Ų | 203 | 135.7 Ų | 135.7 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | -84.7 | 157.2 | 176.2 | -84 | -117.4 | 0 | 0 | 0 | 111.2 | ||||
| 416 | H | 45.7 | Very low | 47.3 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | 164 | 108.3 | 131.5 | -81 | -54.1 | 0 | 0 | 0 | 108.5 | ||||
| 417 | K | 46.3 | Very low | 47.5 | Very low | 187 Ų | 187 | 137 Ų | 137 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | 77.9 | 113.7 | 85.4 | -114.4 | -175.5 | 178.1 | -176.8 | 0 | 114.2 | |||||
| 418 | S | 46.5 | Very low | 47.4 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | 40.4 | 126.7 | 150.7 | 52.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 419 | D | 46.7 | Very low | 47 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | -162.2 | -174.9 | 70.6 | -115.5 | -50.6 | 0 | 0 | 0 | 116.7 | |||||
| 420 | S | 54.5 | Low | 46.3 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | trans | -84.9 | 157 | -164.9 | -57.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 421 | P | 46.9 | Very low | 46.3 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -76.9 | 143.3 | 177.1 | 31.9 | -35.5 | 0 | 0 | 0 | 113.2 | ||||
| 422 | I | 48.8 | Very low | 45.9 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -106.6 | 137.3 | 178.1 | -67.6 | 176.2 | 0 | 0 | 0 | 110.7 | ||||
| 423 | H | 45.9 | Very low | 46.2 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | trans | -68 | 144.1 | 174.7 | -72.7 | -119.8 | 0 | 0 | 0 | 112.1 | ||||
| 424 | S | 47.7 | Very low | 46.5 | Very low | 94 Ų | 94 | 137 Ų | 137 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | trans | -140.3 | 118.6 | 155.3 | -109.5 | 0 | 0 | 0 | 0 | 110.5 | H426 | S424-H426 WeakPolarHBondContact CB-NE2 3.44Å; S424-H426 PolarHBondContact OG-NE2 3.5Å | ||
| 425 | S | 43.4 | Very low | 46.5 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -125.9 | 90.3 | -174 | 55.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 426 | H | 47.4 | Very low | 46.4 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -125.6 | 93 | 177.1 | -42.1 | -71.1 | 0 | 0 | 0 | 106.2 | S424 | S424-H426 WeakPolarHBondContact CB-NE2 3.44Å; S424-H426 PolarHBondContact OG-NE2 3.5Å | ||
| 427 | S | 45.4 | Very low | 46.7 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | 85.2 | 125.3 | 87.8 | -166 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 428 | L | 45 | Very low | 46.7 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 94% | 0.937 | 79% | 0.794 | S | S | * | * | trans | -74.7 | 140.3 | -175 | -61.5 | 167.6 | 0 | 0 | 0 | 110.5 | ||||
| 429 | N | 45.8 | Very low | 46.8 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -127.6 | 107.9 | 167.3 | -172 | 19.8 | 0 | 0 | 0 | 110.9 | G431 | N429-G431 PolarHBondContact O-N 2.87Š| ||
| 430 | S | 42.3 | Very low | 46.9 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -88.8 | 87.4 | 176.4 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 431 | G | 45.9 | Very low | 46.4 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -86.9 | 107.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N429 | N429-G431 PolarHBondContact O-N 2.87Š| ||
| 432 | S | 44.8 | Very low | 47 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -107.5 | 119.4 | 169.2 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 433 | C | 49 | Very low | 47.3 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | trans | -154.3 | 136.2 | 163.3 | 53.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 434 | N | 44.6 | Very low | 48.1 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 78% | 0.781 | 82% | 0.817 | S | S | * | * | trans | -71.7 | 147.6 | 172.4 | -71.7 | -13.5 | 0 | 0 | 0 | 110.4 | ||||
| 435 | S | 46.9 | Very low | 48.8 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -136.4 | 111.2 | 160.8 | -74.2 | 0 | 0 | 0 | 0 | 109.2 | G437 | S435-G437 PolarHBondContact O-N 3.2Š| ||
| 436 | H | 45.4 | Very low | 49.6 | Very low | 182 Ų | 182 | 145.2 Ų | 145.2 | 84% | 0.843 | 84% | 0.836 | S | S | * | * | trans | -72.2 | 115.8 | 173.5 | -82.7 | -114.9 | 0 | 0 | 0 | 110 | ||||
| 437 | G | 50.7 | Low | 50.7 | Low | 84 Ų | 84 | 146.2 Ų | 146.2 | 87% | 0.866 | 84% | 0.837 | S | S | * | * | trans | -84.9 | 115.5 | 164 | 0 | 0 | 0 | 0 | 0 | 110.3 | S435 | S435-G437 PolarHBondContact O-N 3.2Š| ||
| 438 | N | 46.8 | Very low | 51.2 | Low | 138 Ų | 138 | 149.6 Ų | 149.6 | 74% | 0.738 | 84% | 0.837 | S | S | * | * | trans | -142.6 | 157.3 | 172.6 | -166.6 | 10.8 | 0 | 0 | 0 | 110.5 | ||||
| 439 | L | 49.8 | Very low | 51.9 | Low | 161 Ų | 161 | 156.1 Ų | 156.1 | 84% | 0.843 | 85% | 0.849 | S | S | * | * | trans | 67.1 | 97.5 | 174.1 | -50.3 | -178 | 0 | 0 | 0 | 116 | ||||
| 440 | G | 46.9 | Very low | 52.2 | Low | 78 Ų | 78 | 156.1 Ų | 156.1 | 80% | 0.804 | 85% | 0.85 | S | S | * | * | trans | -148.2 | 49.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 441 | G | 45.5 | Very low | 52.8 | Low | 79 Ų | 79 | 158.1 Ų | 158.1 | 81% | 0.814 | 85% | 0.852 | S | S | * | * | trans | -69.3 | 144.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 442 | K | 59.1 | Low | 53.1 | Low | 210 Ų | 210 | 162.8 Ų | 162.8 | 91% | 0.913 | 86% | 0.857 | S | S | * | * | trans | -135.9 | 139.2 | 165.5 | -70.3 | -172.7 | 177.8 | 178.3 | 0 | 110.1 | ||||
| 443 | S | 55.1 | Low | 53.6 | Low | 120 Ų | 120 | 165.5 Ų | 165.5 | 84% | 0.839 | 86% | 0.859 | S | S | * | * | trans | -84.4 | 133.3 | -159.6 | -43.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 444 | K | 63.3 | Low | 53.9 | Low | 213 Ų | 213 | 168.6 Ų | 168.6 | 93% | 0.926 | 86% | 0.864 | S | S | * | * | trans | -74.3 | 125.3 | 158.3 | -80.7 | -170.3 | 173.2 | -173.9 | 0 | 109.4 | ||||
| 445 | R | 62.5 | Low | 54.5 | Low | 237 Ų | 237 | 170.1 Ų | 170.1 | 89% | 0.894 | 87% | 0.87 | S | S | * | * | trans | -80.4 | 114.9 | 168.7 | -78 | 163 | 62.4 | -164.7 | 2.5 | 109.2 | ||||
| 446 | R | 60.3 | Low | 55.1 | Low | 230 Ų | 230 | 174.1 Ų | 174.1 | 87% | 0.868 | 87% | 0.874 | S | S | * | * | trans | -72.1 | 136.5 | 155.7 | -76 | 177.8 | 72 | 164.2 | 1.4 | 108.1 | ||||
| 447 | K | 68.9 | Low | 55.8 | Low | 200 Ų | 200 | 173.5 Ų | 173.5 | 87% | 0.87 | 88% | 0.877 | S | S | * | * | trans | -110.3 | 121.9 | 169 | -167.1 | -177.1 | -177.6 | -172.3 | 0 | 106.6 | ||||
| 448 | F | 56.1 | Low | 56.3 | Low | 189 Ų | 189 | 180.9 Ų | 180.9 | 83% | 0.829 | 88% | 0.878 | S | S | * | * | trans | -73 | 134.7 | 171 | -90.7 | -100.5 | 0 | 0 | 0 | 109.5 | ||||
| 449 | R | 60.7 | Low | 57.1 | Low | 316 Ų | 316 | 184.8 Ų | 184.8 | 100% | 1.192 | 89% | 0.89 | S | S | * | * | trans | -149.7 | 0 | 135.7 | -133.9 | -180 | -170.7 | -138.7 | -2.1 | 109.8 |
Retrieved 449 of 449 residues in 234.7 ms
(Link to these results)