| 1 | M | 45.4 | Very low | 49.7 | Very low | 249 Ų | 249 | 174.3 Ų | 174.3 | 100% | 1.227 | 87% | 0.868 | S | S | * | * | | | | 0 | 89 | 0 | -81.1 | 177.9 | 154.2 | 0 | 0 | 110.2 | | |
| 2 | A | 49.3 | Very low | 49.8 | Very low | 105 Ų | 105 | 178.9 Ų | 178.9 | 87% | 0.868 | 87% | 0.868 | S | S | * | * | | | trans | -103.6 | 89 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 3 | R | 51.4 | Low | 50.1 | Low | 236 Ų | 236 | 172.2 Ų | 172.2 | 89% | 0.891 | 85% | 0.851 | S | S | * | * | | | trans | -121.8 | 38.3 | 170.5 | -74 | -166.9 | 178.3 | -171.4 | 3.4 | 112.4 | | |
| 4 | Y | 54 | Low | 49.9 | Very low | 217 Ų | 217 | 172.9 Ų | 172.9 | 85% | 0.851 | 84% | 0.839 | S | S | * | * | | | trans | -130.4 | 116.3 | 173.2 | -80.4 | -88.2 | 0 | 0 | 0 | 109.4 | | |
| 5 | R | 49 | Very low | 49.8 | Very low | 244 Ų | 244 | 166.9 Ų | 166.9 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 141.2 | 60.6 | 152.9 | -76.9 | 174.8 | -177.6 | -177.3 | 2.5 | 113.5 | | |
| 6 | C | 47.3 | Very low | 50 | Low | 129 Ų | 129 | 161.1 Ų | 161.1 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -145.2 | 21.7 | 162.5 | -118.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 7 | C | 49 | Very low | 49.9 | Very low | 133 Ų | 133 | 162.9 Ų | 162.9 | 90% | 0.899 | 80% | 0.796 | S | S | * | * | | | trans | -133.4 | 35.5 | -172.7 | -57.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 8 | R | 49.7 | Very low | 49.9 | Very low | 242 Ų | 242 | 161.4 Ų | 161.4 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -102.8 | -43.4 | 176.3 | -145.9 | 164.1 | 172.8 | 150.8 | -1.9 | 116.5 | | |
| 9 | S | 49 | Very low | 49.9 | Very low | 110 Ų | 110 | 162.6 Ų | 162.6 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -157.6 | 38.2 | -170.3 | -47.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 10 | Q | 51.1 | Low | 50.1 | Low | 183 Ų | 183 | 164.3 Ų | 164.3 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -135.7 | 98.7 | 173.7 | -72.9 | -173.1 | 28.8 | 0 | 0 | 113.8 | | |
| 11 | S | 51 | Low | 50.3 | Low | 69 Ų | 69 | 165.9 Ų | 165.9 | 48% | 0.483 | 78% | 0.778 | S | S | . | * | | | trans | 58 | 74.7 | 147.8 | -69.1 | 0 | 0 | 0 | 0 | 116.6 | S13 R14 C15 | S11-S13 PolarHBondContact O-N 2.97Å; S11-R14 PolarHBondContact O-N 3.32Å; S11-C15 PolarHBondContact O-N 3.12Å |
| 12 | R | 51.9 | Low | 50.8 | Low | 230 Ų | 230 | 158 Ų | 158 | 87% | 0.868 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -47.7 | -34.5 | 164.5 | -74.8 | -179.7 | 115.2 | -173.5 | 2.7 | 111.8 | R14 C16 | R12-R14 PolarHBondContact O-N 3.35Å; R12-C16 PolarHBondContact O-N 3.42Å; R12-C16 PolarHBondContact O-SG 3Å; R12-C16 VanDerWaalsContact O-SG 3.32Å |
| 13 | S | 53.7 | Low | 50.9 | Low | 92 Ų | 92 | 162.2 Ų | 162.2 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -63.2 | -36.8 | 175.9 | -71.1 | 0 | 0 | 0 | 0 | 115.2 | S11 R17 | S11-S13 PolarHBondContact O-N 2.97Å; S13-R17 WeakPolarHBondContact O-CG 3.49Å; S13-R17 PolarHBondContact O-N 3.17Å |
| 14 | R | 46.3 | Very low | 51 | Low | 181 Ų | 181 | 160.5 Ų | 160.5 | 68% | 0.683 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -74 | -40.9 | 179.4 | -85.8 | -176.2 | 178.9 | -176.1 | 0.7 | 111.6 | S11 R12 C16 R17 Q18 | S11-R14 PolarHBondContact O-N 3.32Å; R12-R14 PolarHBondContact O-N 3.35Å; R14-C16 PolarHBondContact O-N 3Å; R14-R17 PolarHBondContact O-N 3.26Å; R14-Q18 PolarHBondContact O-N 3.47Å; R14-Q18 VanDerWaalsContact O-N 3.13Å |
| 15 | C | 48.8 | Very low | 51 | Low | 84 Ų | 84 | 160.1 Ų | 160.1 | 57% | 0.568 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -63.8 | -42.5 | -179.7 | -171 | 0 | 0 | 0 | 0 | 112 | S11 Q18 R19 | S11-C15 PolarHBondContact O-N 3.12Å; C15-Q18 PolarHBondContact O-N 2.95Å; C15-R19 PolarHBondContact O-N 3Å |
| 16 | C | 52.8 | Low | 51.2 | Low | 73 Ų | 73 | 158.3 Ų | 158.3 | 49% | 0.493 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -66.8 | -38.5 | 176.1 | -64 | 0 | 0 | 0 | 0 | 113.1 | R12 R14 R19 R20 | R12-C16 PolarHBondContact O-N 3.42Å; R12-C16 PolarHBondContact O-SG 3Å; R12-C16 VanDerWaalsContact O-SG 3.32Å; R14-C16 PolarHBondContact O-N 3Å; C16-R19 PolarHBondContact O-N 3.14Å; C16-R20 PolarHBondContact O-N 2.99Å; C16-R20 VanDerWaalsContact O-N 3.13Å |
| 17 | R | 48 | Very low | 51.5 | Low | 193 Ų | 193 | 161.1 Ų | 161.1 | 73% | 0.728 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -63.7 | -41.4 | 177 | -83.8 | -178.3 | 173.7 | 173.8 | -0.3 | 112.4 | S13 R14 R20 R21 | S13-R17 WeakPolarHBondContact O-CG 3.49Å; S13-R17 PolarHBondContact O-N 3.17Å; R14-R17 PolarHBondContact O-N 3.26Å; R17-R20 PolarHBondContact O-N 2.9Å; R17-R21 PolarHBondContact O-N 3.06Å |
| 18 | Q | 50.2 | Low | 51.9 | Low | 136 Ų | 136 | 164.7 Ų | 164.7 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -64.5 | -45.7 | 175.7 | -71.5 | -165.4 | 50 | 0 | 0 | 111.8 | R14 C15 R20 R21 C22 | R14-Q18 PolarHBondContact O-N 3.47Å; R14-Q18 VanDerWaalsContact O-N 3.13Å; C15-Q18 PolarHBondContact O-N 2.95Å; Q18-R20 VanDerWaalsContact C-N 3.29Å; Q18-R20 PolarHBondContact O-N 3.39Å; Q18-R21 PolarHBondContact O-N 3.36Å; Q18-R21 VanDerWaalsContact O-N 3.17Å; Q18-C22 PolarHBondContact O-N 2.88Å; Q18-C22 VanDerWaalsContact O-N 3.07Å; Q18-C22 PolarHBondContact O-SG 3.23Å; Q18-C22 VanDerWaalsContact O-SG 3.39Å |
| 19 | R | 50.8 | Low | 52.2 | Low | 184 Ų | 184 | 162.8 Ų | 162.8 | 69% | 0.694 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -56.1 | -39.5 | 176.1 | -109.6 | 173.9 | 152.4 | -167.1 | -4.9 | 113 | C15 C16 R23 | C15-R19 PolarHBondContact O-N 3Å; C16-R19 PolarHBondContact O-N 3.14Å; R19-R23 PolarHBondContact O-N 3.49Å |
| 20 | R | 54 | Low | 52.6 | Low | 196 Ų | 196 | 160.9 Ų | 160.9 | 74% | 0.74 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -68.7 | -41.9 | 176.7 | -73.8 | -177.6 | -178.9 | -173.8 | 1.4 | 112.7 | C16 R17 Q18 R23 R24 | C16-R20 PolarHBondContact O-N 2.99Å; C16-R20 VanDerWaalsContact O-N 3.13Å; R17-R20 PolarHBondContact O-N 2.9Å; Q18-R20 VanDerWaalsContact C-N 3.29Å; Q18-R20 PolarHBondContact O-N 3.39Å; R20-R23 PolarHBondContact O-N 2.94Å; R20-R24 PolarHBondContact O-N 2.89Å |
| 21 | R | 52.9 | Low | 53 | Low | 198 Ų | 198 | 160.9 Ų | 160.9 | 75% | 0.747 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -63 | -41.3 | 176.8 | -84.9 | -176.1 | 174.2 | -177.6 | -1.4 | 112.1 | R17 Q18 R24 R25 | R17-R21 PolarHBondContact O-N 3.06Å; Q18-R21 PolarHBondContact O-N 3.36Å; Q18-R21 VanDerWaalsContact O-N 3.17Å; R21-R24 PolarHBondContact O-N 3.42Å; R21-R25 PolarHBondContact O-N 3.26Å |
| 22 | C | 56.1 | Low | 53.5 | Low | 83 Ų | 83 | 160.5 Ų | 160.5 | 56% | 0.561 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -64.7 | -41.4 | 178.9 | -66.2 | 0 | 0 | 0 | 0 | 112.9 | Q18 R24 R25 R26 | Q18-C22 PolarHBondContact O-N 2.88Å; Q18-C22 VanDerWaalsContact O-N 3.07Å; Q18-C22 PolarHBondContact O-SG 3.23Å; Q18-C22 VanDerWaalsContact O-SG 3.39Å; C22-R24 PolarHBondContact O-N 3.27Å; C22-R25 PolarHBondContact O-N 2.96Å; C22-R26 PolarHBondContact O-N 2.95Å |
| 23 | R | 52 | Low | 53.9 | Low | 194 Ų | 194 | 158.6 Ų | 158.6 | 73% | 0.732 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -62.2 | -40.2 | 176.1 | -79.5 | -174.6 | 179.2 | 179.5 | 0 | 112.7 | R19 R20 R27 | R19-R23 PolarHBondContact O-N 3.49Å; R20-R23 PolarHBondContact O-N 2.94Å; R23-R27 PolarHBondContact O-N 3.33Å |
| 24 | R | 52.4 | Low | 54.3 | Low | 200 Ų | 200 | 163.4 Ų | 163.4 | 76% | 0.755 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -65.7 | -40.7 | 178 | -78.1 | -176.4 | 175.8 | 176 | -1.2 | 112.4 | R20 R21 C22 R27 R28 | R20-R24 PolarHBondContact O-N 2.89Å; R21-R24 PolarHBondContact O-N 3.42Å; C22-R24 PolarHBondContact O-N 3.27Å; R24-R27 PolarHBondContact O-N 2.88Å; R24-R28 PolarHBondContact O-N 3.43Å |
| 25 | R | 55 | Low | 55 | Low | 208 Ų | 208 | 164.3 Ų | 164.3 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -62.7 | -43.5 | 177 | -81 | -175 | 173.3 | -179.5 | -2.6 | 112.3 | R21 C22 R27 R28 R29 | R21-R25 PolarHBondContact O-N 3.26Å; C22-R25 PolarHBondContact O-N 2.96Å; R25-R27 PolarHBondContact O-N 3.08Å; R25-R28 PolarHBondContact O-N 3.48Å; R25-R29 PolarHBondContact O-N 3.02Å |
| 26 | R | 52.5 | Low | 55.9 | Low | 206 Ų | 206 | 162.8 Ų | 162.8 | 78% | 0.777 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -61.9 | -43.2 | 177.7 | -114.8 | 179.2 | -179.5 | -179.9 | 0.7 | 112.4 | C22 R28 R29 C30 | C22-R26 PolarHBondContact O-N 2.95Å; R26-R28 PolarHBondContact O-N 3.28Å; R26-R29 PolarHBondContact O-N 2.92Å; R26-C30 PolarHBondContact O-N 3.37Å; R26-C30 VanDerWaalsContact O-N 3.14Å; R26-C30 PolarHBondContact O-SG 3.31Å; R26-C30 VanDerWaalsContact O-SG 3.37Å |
| 27 | R | 53.4 | Low | 56.6 | Low | 188 Ų | 188 | 165.8 Ų | 165.8 | 71% | 0.709 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -61.9 | -39 | 178.6 | -93.6 | -176.2 | 178.7 | 179.9 | 0.3 | 113.4 | R23 R24 R25 R31 | R23-R27 PolarHBondContact O-N 3.33Å; R24-R27 PolarHBondContact O-N 2.88Å; R25-R27 PolarHBondContact O-N 3.08Å; R27-R31 WeakPolarHBondContact O-CG 3.39Å; R27-R31 PolarHBondContact O-N 3.46Å; R27-R31 VanDerWaalsContact O-N 3.08Å |
| 28 | R | 57.6 | Low | 57.5 | Low | 208 Ų | 208 | 166.4 Ų | 166.4 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -66.2 | -45.5 | 178.3 | -74.7 | -175 | 178.8 | 179 | -1.4 | 111.8 | R24 R25 R26 C30 R31 A32 | R24-R28 PolarHBondContact O-N 3.43Å; R25-R28 PolarHBondContact O-N 3.48Å; R26-R28 PolarHBondContact O-N 3.28Å; R28-C30 PolarHBondContact O-N 2.97Å; R28-R31 PolarHBondContact O-N 3.44Å; R28-A32 PolarHBondContact O-N 3.41Å |
| 29 | R | 56.8 | Low | 58.3 | Low | 202 Ų | 202 | 164 Ų | 164 | 76% | 0.762 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -63.8 | -39.4 | -179.8 | -149.6 | 178.2 | -172.5 | -168.1 | 2.4 | 112.1 | R25 R26 R33 | R25-R29 PolarHBondContact O-N 3.02Å; R26-R29 PolarHBondContact O-N 2.92Å; R29-R33 PolarHBondContact O-N 3.48Å |
| 30 | C | 56.6 | Low | 59 | Low | 70 Ų | 70 | 159.3 Ų | 159.3 | 47% | 0.473 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -68.2 | -39.3 | 175.2 | -66.2 | 0 | 0 | 0 | 0 | 113 | R26 R28 R33 R34 | R26-C30 PolarHBondContact O-N 3.37Å; R26-C30 VanDerWaalsContact O-N 3.14Å; R26-C30 PolarHBondContact O-SG 3.31Å; R26-C30 VanDerWaalsContact O-SG 3.37Å; R28-C30 PolarHBondContact O-N 2.97Å; C30-R33 PolarHBondContact O-N 2.9Å; C30-R34 WeakPolarHBondContact O-CG 3.36Å; C30-R34 PolarHBondContact O-N 3.21Å |
| 31 | R | 61 | Low | 59.6 | Low | 183 Ų | 183 | 159.8 Ų | 159.8 | 69% | 0.691 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -65.3 | -41.7 | 175.4 | -78.8 | -177.6 | 177 | -177.3 | -1.9 | 111.9 | R27 R28 R34 R35 | R27-R31 WeakPolarHBondContact O-CG 3.39Å; R27-R31 PolarHBondContact O-N 3.46Å; R27-R31 VanDerWaalsContact O-N 3.08Å; R28-R31 PolarHBondContact O-N 3.44Å; R31-R34 PolarHBondContact O-N 3.39Å; R31-R35 PolarHBondContact O-N 3.31Å |
| 32 | A | 60.9 | Low | 60.3 | Low | 62 Ų | 62 | 159.2 Ų | 159.2 | 51% | 0.512 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -62 | -47.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R28 R34 R35 A36 | R28-A32 PolarHBondContact O-N 3.41Å; A32-R34 PolarHBondContact O-N 3.2Å; A32-R35 PolarHBondContact O-N 3.26Å; A32-A36 WeakPolarHBondContact O-CB 3.46Å; A32-A36 PolarHBondContact O-N 3.36Å |
| 33 | R | 60.2 | Low | 60.8 | Low | 189 Ų | 189 | 164.8 Ų | 164.8 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -59.6 | -43.7 | 174.8 | -82.4 | -179.2 | 82.8 | 169.3 | 4.1 | 112.6 | R29 C30 A36 M37 | R29-R33 PolarHBondContact O-N 3.48Å; C30-R33 PolarHBondContact O-N 2.9Å; R33-A36 PolarHBondContact O-N 3.41Å; R33-M37 WeakPolarHBondContact O-CB 3.47Å; R33-M37 PolarHBondContact O-N 3.21Å |
| 34 | R | 61.3 | Low | 61.7 | Low | 194 Ų | 194 | 163.5 Ų | 163.5 | 73% | 0.732 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -63.9 | -40.5 | 177 | -79.1 | -174.6 | -168.4 | 175.2 | 2.5 | 112.8 | C30 R31 A32 R38 | C30-R34 WeakPolarHBondContact O-CG 3.36Å; C30-R34 PolarHBondContact O-N 3.21Å; R31-R34 PolarHBondContact O-N 3.39Å; A32-R34 PolarHBondContact O-N 3.2Å; R34-R38 PolarHBondContact O-N 3.44Å |
| 35 | R | 62.7 | Low | 62.3 | Low | 199 Ų | 199 | 163.6 Ų | 163.6 | 75% | 0.751 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -63.7 | -46.2 | 174.6 | -92.4 | -176 | 172.7 | 175.4 | -3.1 | 111.4 | R31 A32 M37 R38 C39 | R31-R35 PolarHBondContact O-N 3.31Å; A32-R35 PolarHBondContact O-N 3.26Å; R35-M37 PolarHBondContact O-N 3.3Å; R35-R38 PolarHBondContact O-N 3.39Å; R35-C39 PolarHBondContact O-N 3.39Å |
| 36 | A | 65.8 | Low | 63 | Low | 53 Ų | 53 | 158.9 Ų | 158.9 | 44% | 0.438 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -58.4 | -47.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A32 R33 R38 C39 C40 | A32-A36 WeakPolarHBondContact O-CB 3.46Å; A32-A36 PolarHBondContact O-N 3.36Å; R33-A36 PolarHBondContact O-N 3.41Å; A36-R38 PolarHBondContact O-N 3.3Å; A36-C39 WeakPolarHBondContact O-CB 3.39Å; A36-C39 PolarHBondContact O-N 3.5Å; A36-C39 VanDerWaalsContact O-N 3.14Å; A36-C40 PolarHBondContact O-N 3.42Å; A36-C40 PolarHBondContact O-SG 3.47Å |
| 37 | M | 68.4 | Low | 63.7 | Low | 135 Ų | 135 | 158.2 Ų | 158.2 | 67% | 0.665 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -58.8 | -42.9 | 175.7 | -116.5 | 176.8 | -155.3 | 0 | 0 | 112.9 | R33 R35 C40 R41 | R33-M37 WeakPolarHBondContact O-CB 3.47Å; R33-M37 PolarHBondContact O-N 3.21Å; R35-M37 PolarHBondContact O-N 3.3Å; M37-C40 PolarHBondContact O-N 3.37Å; M37-R41 WeakPolarHBondContact O-CB 3.47Å; M37-R41 PolarHBondContact O-N 3.14Å |
| 38 | R | 66.7 | Low | 64.3 | Low | 207 Ų | 207 | 152.3 Ų | 152.3 | 78% | 0.781 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -61.7 | -42.4 | 174.9 | -85.4 | -176 | 165.6 | -175.4 | -4.2 | 111.8 | R34 R35 A36 R42 | R34-R38 PolarHBondContact O-N 3.44Å; R35-R38 PolarHBondContact O-N 3.39Å; A36-R38 PolarHBondContact O-N 3.3Å; R38-R42 WeakPolarHBondContact O-CB 3.5Å; R38-R42 PolarHBondContact O-N 3.13Å |
| 39 | C | 66.7 | Low | 64.4 | Low | 86 Ų | 86 | 153.3 Ų | 153.3 | 58% | 0.581 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -62.8 | -45.2 | 174.9 | -80.6 | 0 | 0 | 0 | 0 | 112 | R35 A36 R42 R43 | R35-C39 PolarHBondContact O-N 3.39Å; A36-C39 WeakPolarHBondContact O-CB 3.39Å; A36-C39 PolarHBondContact O-N 3.5Å; A36-C39 VanDerWaalsContact O-N 3.14Å; C39-R42 PolarHBondContact O-N 3.18Å; C39-R43 PolarHBondContact O-N 3.27Å |
| 40 | C | 65.6 | Low | 64.3 | Low | 84 Ų | 84 | 154.5 Ų | 154.5 | 57% | 0.568 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -62.3 | -44.8 | 178 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | A36 M37 R42 R43 Y44 | A36-C40 PolarHBondContact O-N 3.42Å; A36-C40 PolarHBondContact O-SG 3.47Å; M37-C40 PolarHBondContact O-N 3.37Å; C40-R42 VanDerWaalsContact C-N 3.33Å; C40-R42 PolarHBondContact O-N 3.34Å; C40-R43 PolarHBondContact O-N 3.43Å; C40-Y44 WeakPolarHBondContact O-CB 3.43Å; C40-Y44 PolarHBondContact O-N 3.19Å |
| 41 | R | 66.9 | Low | 64.2 | Low | 206 Ų | 206 | 163.3 Ų | 163.3 | 78% | 0.777 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -60.6 | -40.8 | 175.4 | -113 | -179.9 | 153.9 | 178.6 | -6.7 | 112.5 | M37 Y44 R45 | M37-R41 WeakPolarHBondContact O-CB 3.47Å; M37-R41 PolarHBondContact O-N 3.14Å; R41-Y44 PolarHBondContact O-N 3.31Å; R41-R45 PolarHBondContact O-N 3.07Å |
| 42 | R | 68.6 | Low | 64.3 | Low | 186 Ų | 186 | 162.4 Ų | 162.4 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -67.2 | -43.9 | 177.6 | -174.2 | 174.9 | 165.7 | 153.6 | -3.7 | 111.5 | R38 C39 C40 R45 L46 | R38-R42 WeakPolarHBondContact O-CB 3.5Å; R38-R42 PolarHBondContact O-N 3.13Å; C39-R42 PolarHBondContact O-N 3.18Å; C40-R42 VanDerWaalsContact C-N 3.33Å; C40-R42 PolarHBondContact O-N 3.34Å; R42-R45 PolarHBondContact O-N 3.17Å; R42-L46 HydrophobicContact CG-CD1 4.26Å; R42-L46 WeakPolarHBondContact O-CG 3.47Å; R42-L46 PolarHBondContact O-N 3.13Å |
| 43 | R | 66.2 | Low | 64.5 | Low | 200 Ų | 200 | 167.6 Ų | 167.6 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -60.6 | -43.7 | 174 | -103.3 | -178.2 | 160.4 | -176.5 | -5.4 | 112.1 | C39 C40 L46 R47 | C39-R43 PolarHBondContact O-N 3.27Å; C40-R43 PolarHBondContact O-N 3.43Å; R43-L46 PolarHBondContact O-N 3.39Å; R43-R47 PolarHBondContact O-N 3.48Å |
| 44 | Y | 69.6 | Low | 64.7 | Low | 168 Ų | 168 | 166.4 Ų | 166.4 | 66% | 0.659 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -60.9 | -49.2 | 177 | -173.4 | -95.9 | 0 | 0 | 0 | 111.5 | C40 R41 L46 R47 C48 | C40-Y44 WeakPolarHBondContact O-CB 3.43Å; C40-Y44 PolarHBondContact O-N 3.19Å; R41-Y44 PolarHBondContact O-N 3.31Å; Y44-L46 VanDerWaalsContact C-N 3.32Å; Y44-L46 PolarHBondContact O-N 3.43Å; Y44-R47 PolarHBondContact O-N 2.97Å; Y44-R47 VanDerWaalsContact O-N 3.17Å; Y44-C48 VanDerWaalsContact CE1-SG 3.52Å; Y44-C48 VanDerWaalsContact CZ-SG 3.57Å; Y44-C48 PolarHBondContact O-N 3.05Å |
| 45 | R | 66.8 | Low | 64.9 | Low | 201 Ų | 201 | 164.8 Ų | 164.8 | 76% | 0.758 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -58.2 | -39.8 | 175 | -99.8 | -175.2 | 170.2 | 177 | -3.2 | 113.5 | R41 R42 R49 | R41-R45 PolarHBondContact O-N 3.07Å; R42-R45 PolarHBondContact O-N 3.17Å; R45-R49 WeakPolarHBondContact O-CB 3.48Å; R45-R49 PolarHBondContact O-N 3.28Å; R45-R49 VanDerWaalsContact O-N 3.12Å |
| 46 | L | 69.4 | Low | 65.1 | Low | 109 Ų | 109 | 162.7 Ų | 162.7 | 57% | 0.571 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -69.1 | -36 | 177.6 | -74.1 | 168.4 | 0 | 0 | 0 | 112.3 | R42 R43 Y44 | R42-L46 HydrophobicContact CG-CD1 4.26Å; R42-L46 WeakPolarHBondContact O-CG 3.47Å; R42-L46 PolarHBondContact O-N 3.13Å; R43-L46 PolarHBondContact O-N 3.39Å; Y44-L46 VanDerWaalsContact C-N 3.32Å; Y44-L46 PolarHBondContact O-N 3.43Å |
| 47 | R | 65.9 | Low | 65 | Low | 193 Ų | 193 | 170 Ų | 170 | 73% | 0.728 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -67.2 | -48.5 | 173.4 | -104.9 | -175.7 | 165.7 | -174.6 | -5 | 111.6 | R43 Y44 R49 R50 | R43-R47 PolarHBondContact O-N 3.48Å; Y44-R47 PolarHBondContact O-N 2.97Å; Y44-R47 VanDerWaalsContact O-N 3.17Å; R47-R49 PolarHBondContact O-N 3.32Å; R47-R50 WeakPolarHBondContact O-CB 3.45Å; R47-R50 PolarHBondContact O-N 3.5Å |
| 48 | C | 65.9 | Low | 64.8 | Low | 64 Ų | 64 | 172.5 Ų | 172.5 | 43% | 0.432 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -69.9 | -12.4 | 179.9 | -68.4 | 0 | 0 | 0 | 0 | 114.5 | Y44 R50 Y51 | Y44-C48 VanDerWaalsContact CE1-SG 3.52Å; Y44-C48 VanDerWaalsContact CZ-SG 3.57Å; Y44-C48 PolarHBondContact O-N 3.05Å; C48-R50 VanDerWaalsContact C-N 3.35Å; C48-Y51 VanDerWaalsContact O-OXT 3.08Å |
| 49 | R | 59.8 | Low | 64.6 | Low | 228 Ų | 228 | 169.8 Ų | 169.8 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -13 | 170.9 | -107.7 | -172.6 | 171.4 | -179.5 | -4.1 | 113.1 | R45 R47 | R45-R49 WeakPolarHBondContact O-CB 3.48Å; R45-R49 PolarHBondContact O-N 3.28Å; R45-R49 VanDerWaalsContact O-N 3.12Å; R47-R49 PolarHBondContact O-N 3.32Å |
| 50 | R | 55.4 | Low | 64.5 | Low | 228 Ų | 228 | 176.8 Ų | 176.8 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | | | trans | -98.9 | -11.1 | -174.5 | -157.5 | 175.4 | 177.6 | 163.3 | -0.4 | 112.2 | R47 C48 | R47-R50 WeakPolarHBondContact O-CB 3.45Å; R47-R50 PolarHBondContact O-N 3.5Å; C48-R50 VanDerWaalsContact C-N 3.35Å |
| 51 | Y | 53.5 | Low | 64.4 | Low | 255 Ų | 255 | 185.3 Ų | 185.3 | 100% | 1 | 74% | 0.737 | S | S | * | * | | | trans | -110.8 | 0 | 166 | -68.5 | -84.6 | 0 | 0 | 0 | 107.4 | C48 | C48-Y51 VanDerWaalsContact O-OXT 3.08Š|