| 1 | P | 44.5 | Very low | 54.9 | Low | 177 Ų | 177 | 110.5 Ų | 110.5 | 100% | 1.149 | 69% | 0.687 | S | S | * | * | | | | 0 | 106 | 0 | 29.2 | -13.3 | 0 | 0 | 0 | 111.7 | K3 | P1-K3 PolarHBondContact O-N 3.23Š|
| 2 | A | 44.8 | Very low | 55.4 | Low | 95 Ų | 95 | 105.6 Ų | 105.6 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | | | trans | -64.8 | 125 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T4 | A2-T4 PolarHBondContact O-N 2.95Å; A2-T4 VanDerWaalsContact O-N 3.1Å |
| 3 | K | 56.4 | Low | 55.8 | Low | 209 Ų | 209 | 102.8 Ų | 102.8 | 91% | 0.909 | 65% | 0.647 | S | S | * | * | | | trans | -77.2 | 88.8 | 171.9 | -74.7 | 178.6 | 175.1 | 176.5 | 0 | 108.5 | P1 Q5 | P1-K3 PolarHBondContact O-N 3.23Å; K3-Q5 PolarHBondContact O-N 3.31Å |
| 4 | T | 53.7 | Low | 56.3 | Low | 117 Ų | 117 | 99.4 Ų | 99.4 | 72% | 0.718 | 63% | 0.634 | S | S | * | * | | | trans | -73.6 | 94.7 | 173.6 | -57.5 | 0 | 0 | 0 | 0 | 110 | A2 | A2-T4 PolarHBondContact O-N 2.95Å; A2-T4 VanDerWaalsContact O-N 3.1Å |
| 5 | Q | 53.5 | Low | 56.6 | Low | 134 Ų | 134 | 96.3 Ų | 96.3 | 63% | 0.626 | 62% | 0.621 | S | S | * | * | | | trans | 42.1 | 125.7 | 142.5 | -67.1 | -177.5 | -28 | 0 | 0 | 121.3 | K3 A7 | K3-Q5 PolarHBondContact O-N 3.31Å; Q5-A7 PolarHBondContact O-N 3.07Å; Q5-A7 HydrophobicContact CB-CB 4.1Å |
| 6 | P | 58.8 | Low | 57 | Low | 110 Ų | 110 | 97.6 Ų | 97.6 | 71% | 0.714 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -2.8 | 163.2 | 31.3 | -33.5 | 0 | 0 | 0 | 113.8 | V8 A9 T10 | P6-V8 VanDerWaalsContact C-N 3.29Å; P6-V8 PolarHBondContact O-N 3.23Å; P6-A9 PolarHBondContact O-N 3.18Å; P6-T10 PolarHBondContact O-N 3.04Å; P6-T10 PolarHBondContact O-OG1 2.8Å |
| 7 | A | 55.7 | Low | 57.4 | Low | 50 Ų | 50 | 101.6 Ų | 101.6 | 41% | 0.413 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.2 | -29.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q5 T10 A11 | Q5-A7 PolarHBondContact O-N 3.07Å; Q5-A7 HydrophobicContact CB-CB 4.1Å; A7-T10 PolarHBondContact O-N 3.13Å; A7-A11 WeakPolarHBondContact O-CB 3.49Å; A7-A11 PolarHBondContact O-N 2.78Å |
| 8 | V | 58.7 | Low | 57.6 | Low | 106 Ų | 106 | 106.1 Ų | 106.1 | 64% | 0.642 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.8 | -37.1 | 179.5 | -170.5 | 0 | 0 | 0 | 0 | 111.2 | P6 A11 A12 | P6-V8 VanDerWaalsContact C-N 3.29Å; P6-V8 PolarHBondContact O-N 3.23Å; V8-A11 PolarHBondContact O-N 2.87Å; V8-A12 WeakPolarHBondContact O-CB 3.13Å; V8-A12 PolarHBondContact O-N 3.26Å |
| 9 | A | 58.9 | Low | 58 | Low | 66 Ų | 66 | 108.4 Ų | 108.4 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.7 | -35.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | P6 T13 | P6-A9 PolarHBondContact O-N 3.18Å; A9-T13 WeakPolarHBondContact O-CG2 3.25Å; A9-T13 PolarHBondContact O-N 2.64Å; A9-T13 VanDerWaalsContact O-N 3.13Å; A9-T13 PolarHBondContact O-OG1 2.75Å |
| 10 | T | 58.4 | Low | 58.1 | Low | 91 Ų | 91 | 110 Ų | 110 | 56% | 0.558 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.6 | -37.2 | 174.8 | -50 | 0 | 0 | 0 | 0 | 112 | P6 A7 T13 A14 | P6-T10 PolarHBondContact O-N 3.04Å; P6-T10 PolarHBondContact O-OG1 2.8Å; A7-T10 PolarHBondContact O-N 3.13Å; T10-T13 WeakPolarHBondContact CA-OG1 3.18Å; T10-T13 PolarHBondContact O-OG1 2.82Å; T10-T13 VanDerWaalsContact O-OG1 3.08Å; T10-A14 WeakPolarHBondContact O-CB 3.34Å; T10-A14 PolarHBondContact O-N 3.28Å |
| 11 | A | 60.6 | Low | 58.3 | Low | 60 Ų | 60 | 114.8 Ų | 114.8 | 50% | 0.496 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -69 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A7 V8 A14 A15 | A7-A11 WeakPolarHBondContact O-CB 3.49Å; A7-A11 PolarHBondContact O-N 2.78Å; V8-A11 PolarHBondContact O-N 2.87Å; A11-A14 PolarHBondContact O-N 3.46Å; A11-A15 WeakPolarHBondContact O-CB 3.4Å; A11-A15 PolarHBondContact O-N 2.79Å; A11-A15 VanDerWaalsContact O-CB 3.31Å |
| 12 | A | 60.7 | Low | 59.2 | Low | 52 Ų | 52 | 108.4 Ų | 108.4 | 43% | 0.43 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.2 | -46.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V8 A15 E16 | V8-A12 WeakPolarHBondContact O-CB 3.13Å; V8-A12 PolarHBondContact O-N 3.26Å; A12-A15 PolarHBondContact O-N 3.31Å; A12-E16 PolarHBondContact O-N 2.72Å |
| 13 | T | 60.8 | Low | 60.3 | Low | 70 Ų | 70 | 112.9 Ų | 112.9 | 43% | 0.429 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.8 | -35.5 | 176.7 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | A9 T10 K17 | A9-T13 WeakPolarHBondContact O-CG2 3.25Å; A9-T13 PolarHBondContact O-N 2.64Å; A9-T13 VanDerWaalsContact O-N 3.13Å; A9-T13 PolarHBondContact O-OG1 2.75Å; T10-T13 WeakPolarHBondContact CA-OG1 3.18Å; T10-T13 PolarHBondContact O-OG1 2.82Å; T10-T13 VanDerWaalsContact O-OG1 3.08Å; T13-K17 VanDerWaalsContact O-CG 3.29Å; T13-K17 WeakPolarHBondContact O-CG 3.19Å; T13-K17 PolarHBondContact O-N 2.81Å |
| 14 | A | 62.1 | Low | 60.7 | Low | 55 Ų | 55 | 106.2 Ų | 106.2 | 46% | 0.455 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.3 | -38.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T10 A11 K17 Y18 | T10-A14 WeakPolarHBondContact O-CB 3.34Å; T10-A14 PolarHBondContact O-N 3.28Å; A11-A14 PolarHBondContact O-N 3.46Å; A14-K17 PolarHBondContact O-N 2.9Å; A14-Y18 PolarHBondContact O-N 2.89Å; A14-Y18 VanDerWaalsContact O-N 3.16Å |
| 15 | A | 62.1 | Low | 61.3 | Low | 53 Ų | 53 | 108.9 Ų | 108.9 | 44% | 0.438 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.3 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A11 A12 Y18 K19 | A11-A15 WeakPolarHBondContact O-CB 3.4Å; A11-A15 PolarHBondContact O-N 2.79Å; A11-A15 VanDerWaalsContact O-CB 3.31Å; A12-A15 PolarHBondContact O-N 3.31Å; A15-Y18 PolarHBondContact O-N 2.81Å; A15-K19 WeakPolarHBondContact O-CG 3.42Å; A15-K19 PolarHBondContact O-N 2.76Å |
| 16 | E | 63 | Low | 61.9 | Low | 116 Ų | 116 | 109.9 Ų | 109.9 | 54% | 0.542 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -59.1 | -47 | 173 | -90.8 | 176.5 | 108.4 | 0 | 0 | 112.1 | A12 Y18 K19 H20 | A12-E16 PolarHBondContact O-N 2.72Å; E16-Y18 PolarHBondContact O-N 3.41Å; E16-K19 PolarHBondContact O-N 3.08Å; E16-K19 VanDerWaalsContact O-N 3.11Å; E16-H20 PolarHBondContact O-CD2 2.86Å; E16-H20 PolarHBondContact O-N 3.36Å |
| 17 | K | 63.1 | Low | 62.3 | Low | 167 Ų | 167 | 114 Ų | 114 | 73% | 0.726 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60 | -30.3 | 178.1 | -72.8 | -176.5 | -172.2 | -160.1 | 0 | 113.4 | T13 A14 | T13-K17 VanDerWaalsContact O-CG 3.29Å; T13-K17 WeakPolarHBondContact O-CG 3.19Å; T13-K17 PolarHBondContact O-N 2.81Å; A14-K17 PolarHBondContact O-N 2.9Å |
| 18 | Y | 61.3 | Low | 63 | Low | 182 Ų | 182 | 117.4 Ų | 117.4 | 71% | 0.714 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77.2 | -33.8 | 177.4 | -170.8 | -101.7 | 0 | 0 | 0 | 112.6 | A14 A15 E16 | A14-Y18 PolarHBondContact O-N 2.89Å; A14-Y18 VanDerWaalsContact O-N 3.16Å; A15-Y18 PolarHBondContact O-N 2.81Å; E16-Y18 PolarHBondContact O-N 3.41Å |
| 19 | K | 65.8 | Low | 63.4 | Low | 150 Ų | 150 | 117.8 Ų | 117.8 | 65% | 0.652 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.7 | -37.2 | 179.3 | -65.4 | -70.6 | 176.9 | 178.3 | 0 | 112.6 | A15 E16 R21 | A15-K19 WeakPolarHBondContact O-CG 3.42Å; A15-K19 PolarHBondContact O-N 2.76Å; E16-K19 PolarHBondContact O-N 3.08Å; E16-K19 VanDerWaalsContact O-N 3.11Å; K19-R21 VanDerWaalsContact C-N 3.3Å; K19-R21 PolarHBondContact O-N 2.81Å |
| 20 | H | 59.8 | Low | 63.7 | Low | 139 Ų | 139 | 120.4 Ų | 120.4 | 64% | 0.644 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -4.4 | -176.5 | -61.9 | -58.7 | 0 | 0 | 0 | 114.6 | E16 G22 | E16-H20 PolarHBondContact O-CD2 2.86Å; E16-H20 PolarHBondContact O-N 3.36Å; H20-G22 PolarHBondContact O-N 3.46Å |
| 21 | R | 62.8 | Low | 64.1 | Low | 212 Ų | 212 | 121.3 Ų | 121.3 | 80% | 0.8 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -13.7 | -179.7 | -154.3 | -179.1 | -150.9 | 176.1 | 7.8 | 113.8 | K19 | K19-R21 VanDerWaalsContact C-N 3.3Å; K19-R21 PolarHBondContact O-N 2.81Å |
| 22 | G | 62.3 | Low | 64.5 | Low | 43 Ų | 43 | 122.8 Ų | 122.8 | 44% | 0.443 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.5 | -19.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | H20 | H20-G22 PolarHBondContact O-N 3.46Š|
| 23 | E | 68.3 | Low | 65 | Low | 188 Ų | 188 | 125.9 Ų | 125.9 | 88% | 0.879 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -98.6 | -14.6 | -163.1 | -62.9 | -125.2 | 124.7 | 0 | 0 | 114.9 | | |
| 24 | G | 65.3 | Low | 65.8 | Low | 70 Ų | 70 | 129.9 Ų | 129.9 | 72% | 0.722 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -122 | -16.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 25 | E | 64.8 | Low | 66.5 | Low | 173 Ų | 173 | 132.8 Ų | 132.8 | 81% | 0.808 | 69% | 0.691 | S | S | * | * | | | trans | -132.1 | -2.1 | -163.4 | -151.6 | -172.8 | 173.2 | 0 | 0 | 115.2 | K27 | E25-K27 PolarHBondContact O-N 2.94Š|
| 26 | R | 66.9 | Low | 67 | Low | 155 Ų | 155 | 139.1 Ų | 139.1 | 59% | 0.585 | 70% | 0.703 | S | S | * | * | | | trans | -80.4 | 76.5 | 174.7 | -60.9 | -173.4 | -174.8 | -163.8 | 0.7 | 109.4 | D28 I29 | R26-D28 WeakPolarHBondContact CA-OD1 3.33Å; R26-I29 HydrophobicContact CB-CG1 3.78Å; R26-I29 WeakPolarHBondContact O-CG1 3.29Å; R26-I29 HydrophobicContact CB-CD1 3.9Å |
| 27 | K | 67.1 | Low | 67.6 | Low | 196 Ų | 196 | 139.6 Ų | 139.6 | 85% | 0.852 | 72% | 0.717 | S | S | * | * | | | trans | -81.1 | -5.8 | 167.8 | -62.6 | -165.7 | 179.9 | -175.3 | 0 | 112 | E25 | E25-K27 PolarHBondContact O-N 2.94Š|
| 28 | D | 69.7 | Low | 67.8 | Low | 122 Ų | 122 | 138.1 Ų | 138.1 | 65% | 0.652 | 72% | 0.716 | S | S | * | * | | | trans | -95.7 | -8.8 | -175.7 | 37.8 | -66.6 | 0 | 0 | 0 | 113.1 | R26 V30 | R26-D28 WeakPolarHBondContact CA-OD1 3.33Å; D28-V30 PolarHBondContact O-N 3.29Å |
| 29 | I | 66.9 | Low | 68.3 | Low | 114 Ų | 114 | 137.4 Ų | 137.4 | 59% | 0.585 | 71% | 0.713 | S | S | * | * | | | trans | -77.8 | 73.6 | 164.5 | 45.8 | 175 | 0 | 0 | 0 | 109.2 | R26 S31 | R26-I29 HydrophobicContact CB-CG1 3.78Å; R26-I29 WeakPolarHBondContact O-CG1 3.29Å; R26-I29 HydrophobicContact CB-CD1 3.9Å; I29-S31 PolarHBondContact O-N 3.16Å |
| 30 | V | 65.5 | Low | 68.7 | Low | 121 Ų | 121 | 138 Ų | 138 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | | | trans | -62.7 | 88.7 | 159.2 | -175.9 | 0 | 0 | 0 | 0 | 106.2 | D28 S32 | D28-V30 PolarHBondContact O-N 3.29Å; V30-S32 PolarHBondContact O-N 2.92Å |
| 31 | S | 67.4 | Low | 69.4 | Low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | | | trans | -59.9 | 92.8 | 159.4 | -85 | 0 | 0 | 0 | 0 | 105.3 | I29 S33 | I29-S31 PolarHBondContact O-N 3.16Å; S31-S33 VanDerWaalsContact C-N 3.26Å; S31-S33 PolarHBondContact O-N 3.46Å |
| 32 | S | 68.4 | Low | 70.3 | Confident | 90 Ų | 90 | 132.5 Ų | 132.5 | 63% | 0.629 | 71% | 0.712 | S | S | * | * | | | trans | -63.4 | 93.6 | 179.2 | 63.8 | 0 | 0 | 0 | 0 | 107.2 | V30 M34 | V30-S32 PolarHBondContact O-N 2.92Å; S32-M34 PolarHBondContact O-N 3.44Å |
| 33 | S | 72.1 | Confident | 71 | Confident | 117 Ų | 117 | 136.7 Ų | 136.7 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | | | trans | -73.7 | -7.1 | 174.5 | 57.5 | 0 | 0 | 0 | 0 | 111.8 | S31 | S31-S33 VanDerWaalsContact C-N 3.26Å; S31-S33 PolarHBondContact O-N 3.46Å |
| 34 | M | 77.7 | Confident | 71.4 | Confident | 154 Ų | 154 | 132.2 Ų | 132.2 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -74.4 | 124.2 | 173.2 | -64.9 | -146 | -79.7 | 0 | 0 | 109.3 | S32 R36 | S32-M34 PolarHBondContact O-N 3.44Å; M34-R36 PolarHBondContact O-N 3.18Å |
| 35 | P | 75.7 | Confident | 72.2 | Confident | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -55 | 134.6 | 171.6 | 22.7 | -30.5 | 0 | 0 | 0 | 108 | P37 | P35-P37 WeakPolarHBondContact O-CD 3.42Š|
| 36 | R | 74.1 | Confident | 73.1 | Confident | 186 Ų | 186 | 135.2 Ų | 135.2 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -54 | 117.9 | 177 | -67.3 | -172.7 | -178.4 | -164.5 | 1.3 | 106.8 | M34 N38 | M34-R36 PolarHBondContact O-N 3.18Å; R36-N38 PolarHBondContact O-N 3.26Å |
| 37 | P | 74.2 | Confident | 73.7 | Confident | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | 113.5 | -178.9 | 22.5 | -30.3 | 0 | 0 | 0 | 106.6 | P35 R39 | P35-P37 WeakPolarHBondContact O-CD 3.42Å; P37-R39 PolarHBondContact O-N 3.04Å |
| 38 | N | 67.6 | Low | 74.3 | Confident | 135 Ų | 135 | 129.8 Ų | 129.8 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 30.4 | 84.2 | 179.5 | -142.6 | -15.4 | 0 | 0 | 0 | 113.3 | R36 E40 | R36-N38 PolarHBondContact O-N 3.26Å; N38-E40 PolarHBondContact O-N 3.19Å |
| 39 | R | 71.1 | Confident | 74.8 | Confident | 168 Ų | 168 | 130.5 Ų | 130.5 | 63% | 0.634 | 72% | 0.721 | S | S | * | * | | | trans | -65 | 86.8 | 159.3 | 179.5 | 179.3 | 172 | 138.1 | 4.9 | 105.7 | P37 E41 | P37-R39 PolarHBondContact O-N 3.04Å; R39-E41 PolarHBondContact NE-OE1 3.11Å; R39-E41 PolarHBondContact O-N 3.04Å; R39-E41 IonicContact NH2-OE1 3.74Å; R39-E41 IonicContact NE-OE1 2.82Å; R39-E41 IonicContact CZ-OE1 3.69Å |
| 40 | E | 74.3 | Confident | 75.2 | Confident | 163 Ų | 163 | 130.3 Ų | 130.3 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | | | trans | -58.7 | 93.8 | 166.7 | 32.8 | -170 | 73.1 | 0 | 0 | 105.6 | N38 | N38-E40 PolarHBondContact O-N 3.19Š|
| 41 | E | 75.8 | Confident | 75.9 | Confident | 117 Ų | 117 | 132.7 Ų | 132.7 | 55% | 0.547 | 73% | 0.729 | S | S | . | * | | | trans | -50.2 | 136.8 | 162.6 | -71.4 | -68.7 | 107 | 0 | 0 | 105.8 | R39 V43 | R39-E41 PolarHBondContact NE-OE1 3.11Å; R39-E41 PolarHBondContact O-N 3.04Å; R39-E41 IonicContact NH2-OE1 3.74Å; R39-E41 IonicContact NE-OE1 2.82Å; R39-E41 IonicContact CZ-OE1 3.69Å; E41-V43 PolarHBondContact O-N 3.29Å |
| 42 | P | 80.4 | Confident | 76.3 | Confident | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | | | trans | -52.2 | 106.5 | -179.7 | -21.7 | 30.6 | 0 | 0 | 0 | 107.6 | D44 | P42-D44 VanDerWaalsContact C-N 3.31Å; P42-D44 PolarHBondContact O-N 3.35Å |
| 43 | V | 76.8 | Confident | 76.5 | Confident | 130 Ų | 130 | 139.7 Ų | 139.7 | 79% | 0.788 | 74% | 0.738 | S | S | * | * | | | trans | -65.2 | 106.5 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 103.5 | E41 S45 | E41-V43 PolarHBondContact O-N 3.29Å; V43-S45 VanDerWaalsContact C-N 3.28Å; V43-S45 PolarHBondContact O-N 3.02Å |
| 44 | D | 77.6 | Confident | 76.5 | Confident | 94 Ų | 94 | 142.9 Ų | 142.9 | 50% | 0.503 | 76% | 0.761 | S | S | . | * | | | trans | -63.7 | 96.3 | -180 | -170.2 | -5.8 | 0 | 0 | 0 | 107.6 | P42 R46 | P42-D44 VanDerWaalsContact C-N 3.31Å; P42-D44 PolarHBondContact O-N 3.35Å; D44-R46 VanDerWaalsContact CG-NE 3.35Å; D44-R46 PolarHBondContact OD2-NH2 2.95Å; D44-R46 IonicContact OD2-NH2 2.64Å; D44-R46 VanDerWaalsContact OD2-NE 3.13Å; D44-R46 PolarHBondContact OD2-NE 3.39Å; D44-R46 IonicContact OD2-NE 3.13Å; D44-R46 VanDerWaalsContact OD2-CZ 3.25Å; D44-R46 IonicContact OD2-CZ 3.25Å; D44-R46 IonicContact OD1-NH2 3.81Å; D44-R46 PolarHBondContact OD1-NE 3.27Å; D44-R46 IonicContact OD1-NE 2.78Å; D44-R46 PolarHBondContact OD1-N 3.39Å; D44-R46 IonicContact OD1-CZ 3.7Å; D44-R46 WeakPolarHBondContact OD1-CG 3.45Å; D44-R46 WeakPolarHBondContact OD1-CD 3.31Å; D44-R46 WeakPolarHBondContact OD1-CB 3.44Å; D44-R46 VanDerWaalsContact OD1-CB 3.25Å; D44-R46 PolarHBondContact O-N 3.23Å |
| 45 | S | 82.3 | Confident | 76.4 | Confident | 115 Ų | 115 | 142.3 Ų | 142.3 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -79.2 | 5.3 | -176.4 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | V43 T47 | V43-S45 VanDerWaalsContact C-N 3.28Å; V43-S45 PolarHBondContact O-N 3.02Å; S45-T47 PolarHBondContact O-N 3.37Å |
| 46 | R | 84.5 | Confident | 76.4 | Confident | 191 Ų | 191 | 143.7 Ų | 143.7 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -64 | 123.4 | 176 | -67.4 | -177.9 | -68.4 | 159.9 | -4.4 | 108.6 | D44 | D44-R46 VanDerWaalsContact CG-NE 3.35Å; D44-R46 PolarHBondContact OD2-NH2 2.95Å; D44-R46 IonicContact OD2-NH2 2.64Å; D44-R46 VanDerWaalsContact OD2-NE 3.13Å; D44-R46 PolarHBondContact OD2-NE 3.39Å; D44-R46 IonicContact OD2-NE 3.13Å; D44-R46 VanDerWaalsContact OD2-CZ 3.25Å; D44-R46 IonicContact OD2-CZ 3.25Å; D44-R46 IonicContact OD1-NH2 3.81Å; D44-R46 PolarHBondContact OD1-NE 3.27Å; D44-R46 IonicContact OD1-NE 2.78Å; D44-R46 PolarHBondContact OD1-N 3.39Å; D44-R46 IonicContact OD1-CZ 3.7Å; D44-R46 WeakPolarHBondContact OD1-CG 3.45Å; D44-R46 WeakPolarHBondContact OD1-CD 3.31Å; D44-R46 WeakPolarHBondContact OD1-CB 3.44Å; D44-R46 VanDerWaalsContact OD1-CB 3.25Å; D44-R46 PolarHBondContact O-N 3.23Å |
| 47 | T | 78 | Confident | 76.6 | Confident | 121 Ų | 121 | 141.3 Ų | 141.3 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 128.2 | 164.5 | 40.9 | 0 | 0 | 0 | 0 | 108.1 | S45 V49 | S45-T47 PolarHBondContact O-N 3.37Å; T47-V49 PolarHBondContact O-N 3.24Å |
| 48 | P | 79.8 | Confident | 76.7 | Confident | 116 Ų | 116 | 142.2 Ų | 142.2 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 119.1 | -179.7 | 23.3 | -32 | 0 | 0 | 0 | 108.2 | T50 | P48-T50 PolarHBondContact O-N 3.13Š|
| 49 | V | 81.3 | Confident | 77.3 | Confident | 137 Ų | 137 | 142.6 Ų | 142.6 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | | | trans | -70.9 | 106.5 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 106.1 | T47 E51 | T47-V49 PolarHBondContact O-N 3.24Å; V49-E51 PolarHBondContact O-N 3.03Å |
| 50 | T | 75.4 | Confident | 77.7 | Confident | 111 Ų | 111 | 140.9 Ų | 140.9 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | | | trans | -72.6 | 108.3 | 167.2 | 49.8 | 0 | 0 | 0 | 0 | 107.2 | P48 R52 | P48-T50 PolarHBondContact O-N 3.13Å; T50-R52 PolarHBondContact O-N 2.98Å |
| 51 | E | 80.6 | Confident | 77.9 | Confident | 171 Ų | 171 | 139.4 Ų | 139.4 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | trans | -61.6 | 104.3 | 171 | -153.3 | -173.5 | 122.9 | 0 | 0 | 107.4 | V49 V53 | V49-E51 PolarHBondContact O-N 3.03Å; E51-V53 PolarHBondContact O-N 3.43Å |
| 52 | R | 74.9 | Confident | 78.1 | Confident | 220 Ų | 220 | 141.1 Ų | 141.1 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | | | trans | -87.2 | 93.3 | 172.6 | -73 | -172.3 | -76 | 177 | -3.1 | 107.2 | T50 S54 | T50-R52 PolarHBondContact O-N 2.98Å; R52-S54 PolarHBondContact O-N 3.1Å |
| 53 | V | 72.9 | Confident | 77.9 | Confident | 126 Ų | 126 | 143 Ų | 143 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | trans | -59.7 | 117.6 | 167.2 | -172.4 | 0 | 0 | 0 | 0 | 107.1 | E51 | E51-V53 PolarHBondContact O-N 3.43Š|
| 54 | S | 71.1 | Confident | 78 | Confident | 184 Ų | 184 | 144.2 Ų | 144.2 | 100% | 1.287 | 79% | 0.792 | S | S | * | * | | | trans | -90.9 | 0 | 174.1 | -65 | 0 | 0 | 0 | 0 | 111.2 | R52 | R52-S54 PolarHBondContact O-N 3.1Š|