| 1 | M | 45.9 | Very low | 59.7 | Low | 247 Ų | 247 | 150.2 Ų | 150.2 | 100% | 1.217 | 80% | 0.795 | S | S | * | * | | | | 0 | 108.7 | 0 | -67.5 | 175.7 | -158.2 | 0 | 0 | 107.2 | | |
| 2 | S | 58.5 | Low | 59.7 | Low | 124 Ų | 124 | 151.5 Ų | 151.5 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | trans | -87.6 | 133.1 | 174.6 | -60.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 3 | S | 57.4 | Low | 59.2 | Low | 102 Ų | 102 | 151.4 Ų | 151.4 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | | | | 174.1 | 157.2 | 128.6 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 4 | R | 62.5 | Low | 58.9 | Low | 202 Ų | 202 | 146.2 Ų | 146.2 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | 85.3 | 76 | 167.3 | -57.4 | 170.4 | 178.2 | -115.4 | -0.3 | 115.2 | | |
| 5 | R | 65.2 | Low | 58.7 | Low | 239 Ų | 239 | 144.3 Ų | 144.3 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | | | trans | -120.2 | 67 | 139.2 | -67.8 | -78.2 | 175.2 | 131.7 | -2.7 | 106.3 | T7 | R5-T7 PolarHBondContact O-N 2.89Š|
| 6 | D | 65.4 | Low | 58.6 | Low | 136 Ų | 136 | 144.8 Ų | 144.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -68.3 | 92 | 157.5 | -56.6 | -68.9 | 0 | 0 | 0 | 105.5 | | |
| 7 | T | 61.8 | Low | 58.6 | Low | 111 Ų | 111 | 139.7 Ų | 139.7 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | | | trans | -139.8 | 68.8 | 164.3 | -47.6 | 0 | 0 | 0 | 0 | 106.3 | R5 S9 | R5-T7 PolarHBondContact O-N 2.89Å; T7-S9 PolarHBondContact O-N 2.88Å |
| 8 | D | 63.8 | Low | 59 | Low | 161 Ų | 161 | 134.8 Ų | 134.8 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | | | trans | -66.2 | 78.6 | 149.7 | -147.8 | -40.8 | 0 | 0 | 0 | 105.8 | | |
| 9 | S | 55.9 | Low | 59.2 | Low | 86 Ų | 86 | 129.2 Ų | 129.2 | 60% | 0.601 | 70% | 0.704 | S | S | * | * | | | trans | -113.3 | 81.4 | 160.3 | -160.2 | 0 | 0 | 0 | 0 | 103.3 | T7 T11 | T7-S9 PolarHBondContact O-N 2.88Å; S9-T11 PolarHBondContact O-N 3.43Å |
| 10 | D | 58.9 | Low | 59.7 | Low | 113 Ų | 113 | 130.4 Ų | 130.4 | 60% | 0.604 | 70% | 0.702 | S | S | * | * | | | trans | -20.8 | 106.1 | 147.2 | -168.3 | -96.9 | 0 | 0 | 0 | 106.9 | Q12 | D10-Q12 PolarHBondContact O-N 3.49Š|
| 11 | T | 61.9 | Low | 60 | Low | 131 Ų | 131 | 130.5 Ų | 130.5 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | | | trans | -66.7 | 84.2 | 172.7 | 43.5 | 0 | 0 | 0 | 0 | 104 | S9 D13 | S9-T11 PolarHBondContact O-N 3.43Å; T11-D13 PolarHBondContact O-N 2.92Å |
| 12 | Q | 59.4 | Low | 61 | Low | 166 Ų | 166 | 124.3 Ų | 124.3 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | | | trans | -50.7 | 114.5 | 174 | -71.4 | -174 | -97.5 | 0 | 0 | 104.2 | D10 A14 | D10-Q12 PolarHBondContact O-N 3.49Å; Q12-A14 PolarHBondContact O-N 3.37Å |
| 13 | D | 53.6 | Low | 61.6 | Low | 150 Ų | 150 | 121.1 Ų | 121.1 | 80% | 0.802 | 67% | 0.665 | S | S | * | * | | | trans | -32.9 | 117 | 179.6 | -75.4 | -88.2 | 0 | 0 | 0 | 107.7 | T11 N15 | T11-D13 PolarHBondContact O-N 2.92Å; D13-N15 WeakPolarHBondContact O-CA 3.43Å; D13-N15 PolarHBondContact O-N 3.21Å |
| 14 | A | 54.6 | Low | 62.1 | Low | 79 Ų | 79 | 127.6 Ų | 127.6 | 65% | 0.653 | 67% | 0.674 | S | S | * | * | | | trans | -44.4 | 114.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 104.8 | Q12 D16 | Q12-A14 PolarHBondContact O-N 3.37Å; A14-D16 PolarHBondContact O-N 3.46Å |
| 15 | N | 55.7 | Low | 62 | Low | 118 Ų | 118 | 121 Ų | 121 | 63% | 0.631 | 66% | 0.659 | S | S | * | * | | | trans | -63.3 | 83.4 | -167.6 | -177 | 3.2 | 0 | 0 | 0 | 108.1 | D13 S17 | D13-N15 WeakPolarHBondContact O-CA 3.43Å; D13-N15 PolarHBondContact O-N 3.21Å; N15-S17 WeakPolarHBondContact OD1-CA 2.91Å; N15-S17 PolarHBondContact OD1-OG 3.2Å; N15-S17 PolarHBondContact OD1-O 3.23Å; N15-S17 PolarHBondContact OD1-N 2.01Å; N15-S17 WeakPolarHBondContact OD1-CB 3.21Å; N15-S17 PolarHBondContact O-N 3.29Å |
| 16 | D | 56.5 | Low | 61.9 | Low | 151 Ų | 151 | 116 Ų | 116 | 81% | 0.807 | 65% | 0.649 | S | S | * | * | | | trans | -71.7 | 0.7 | 174.5 | -82.4 | -49.2 | 0 | 0 | 0 | 110.1 | A14 S18 | A14-D16 PolarHBondContact O-N 3.46Å; D16-S18 PolarHBondContact O-N 2.77Å |
| 17 | S | 59.1 | Low | 61.9 | Low | 59 Ų | 59 | 115.1 Ų | 115.1 | 41% | 0.413 | 65% | 0.651 | S | S | . | * | | | trans | -66.8 | 108.3 | 163 | -30.2 | 0 | 0 | 0 | 0 | 107 | N15 C19 | N15-S17 WeakPolarHBondContact OD1-CA 2.91Å; N15-S17 PolarHBondContact OD1-OG 3.2Å; N15-S17 PolarHBondContact OD1-O 3.23Å; N15-S17 PolarHBondContact OD1-N 2.01Å; N15-S17 WeakPolarHBondContact OD1-CB 3.21Å; N15-S17 PolarHBondContact O-N 3.29Å; S17-C19 PolarHBondContact O-N 3.26Å |
| 18 | S | 65.9 | Low | 62.2 | Low | 51 Ų | 51 | 115 Ų | 115 | 36% | 0.357 | 65% | 0.646 | S | S | . | * | | | trans | -63 | 5.5 | 170.3 | -58.6 | 0 | 0 | 0 | 0 | 113.4 | D16 K20 H32 | D16-S18 PolarHBondContact O-N 2.77Å; S18-K20 PolarHBondContact O-N 3.5Å; S18-H32 WeakPolarHBondContact OG-CB 3.37Å; S18-H32 VanDerWaalsContact OG-CG 3.32Å |
| 19 | C | 63.6 | Low | 62.5 | Low | 28 Ų | 28 | 108.2 Ų | 108.2 | 19% | 0.189 | 61% | 0.611 | C | S | . | * | | | trans | -59.6 | 123.1 | 168.2 | -69.3 | 0 | 0 | 0 | 0 | 111 | S17 E23 C29 | S17-C19 PolarHBondContact O-N 3.26Å; C19-E23 VanDerWaalsContact CA-OE1 3.31Å; C19-E23 WeakPolarHBondContact CA-OE1 3.09Å; C19-C29 HydrophobicContact CB-CB 3.83Å; C19-C29 WeakPolarHBondContact CB-SG 3.41Å; C19-C29 WeakPolarHBondContact SG-CB 3.47Å; C19-C29 CovalentContact SG-SG 2.01Å; C19-C29 PolarHBondContact SG-SG 2.92Å |
| 20 | K | 68.7 | Low | 63 | Low | 154 Ų | 154 | 109 Ų | 109 | 67% | 0.67 | 61% | 0.612 | S | S | * | * | | | trans | -69.1 | 141.9 | 167.6 | -75.5 | 171.7 | 156 | 160.9 | 0 | 108.6 | S18 S22 E23 | S18-K20 PolarHBondContact O-N 3.5Å; K20-S22 PolarHBondContact O-N 3.36Å; K20-E23 WeakPolarHBondContact CB-OE2 3.31Å; K20-E23 PolarHBondContact N-OE1 3.06Å; K20-E23 WeakPolarHBondContact O-CB 2.85Å; K20-E23 PolarHBondContact O-N 2.86Å |
| 21 | S | 65.1 | Low | 63.2 | Low | 133 Ų | 133 | 108.5 Ų | 108.5 | 93% | 0.93 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -11.8 | 173.7 | -177.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 22 | S | 66.9 | Low | 63.3 | Low | 116 Ų | 116 | 107.1 Ų | 107.1 | 81% | 0.811 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -9.1 | 175.9 | -172.3 | 0 | 0 | 0 | 0 | 113.6 | K20 | K20-S22 PolarHBondContact O-N 3.36Š|
| 23 | E | 72.8 | Confident | 63.2 | Low | 57 Ų | 57 | 104.9 Ų | 104.9 | 27% | 0.266 | 60% | 0.599 | S | S | . | * | | | trans | -70.7 | 138.4 | 172.2 | -90.3 | 127.6 | 51.9 | 0 | 0 | 110.3 | C19 K20 S25 C29 | C19-E23 VanDerWaalsContact CA-OE1 3.31Å; C19-E23 WeakPolarHBondContact CA-OE1 3.09Å; K20-E23 WeakPolarHBondContact CB-OE2 3.31Å; K20-E23 PolarHBondContact N-OE1 3.06Å; K20-E23 WeakPolarHBondContact O-CB 2.85Å; K20-E23 PolarHBondContact O-N 2.86Å; E23-S25 VanDerWaalsContact C-N 3.32Å; E23-S25 PolarHBondContact O-N 3.18Å; E23-C29 WeakPolarHBondContact OE1-CA 3.23Å; E23-C29 PolarHBondContact OE1-SG 3Å; E23-C29 WeakPolarHBondContact OE1-CB 2.95Å |
| 24 | R | 67.8 | Low | 63.3 | Low | 238 Ų | 238 | 104.5 Ų | 104.5 | 90% | 0.898 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -81.5 | -14.6 | -169.4 | -134 | 165.1 | 169.9 | -108 | 0 | 112.4 | | |
| 25 | S | 58.8 | Low | 63.5 | Low | 64 Ų | 64 | 103.3 Ų | 103.3 | 45% | 0.448 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -165.1 | 148.1 | 177.8 | -71.8 | 0 | 0 | 0 | 0 | 110.4 | E23 P27 D28 | E23-S25 VanDerWaalsContact C-N 3.32Å; E23-S25 PolarHBondContact O-N 3.18Å; S25-P27 VanDerWaalsContact C-CD 3.41Å; S25-P27 VanDerWaalsContact C-N 3.32Å; S25-D28 WeakPolarHBondContact O-CB 3.48Å; S25-D28 PolarHBondContact O-N 2.84Å |
| 26 | L | 63.9 | Low | 63.5 | Low | 134 Ų | 134 | 105 Ų | 105 | 70% | 0.702 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -47.9 | -38.8 | 174.8 | -65.6 | 175.2 | 0 | 0 | 0 | 115.5 | D28 C29 | L26-D28 VanDerWaalsContact C-N 3.26Å; L26-D28 PolarHBondContact O-N 2.99Å; L26-C29 WeakPolarHBondContact O-CB 3.5Å; L26-C29 PolarHBondContact O-N 2.82Å; L26-C29 PolarHBondContact O-SG 2.84Å |
| 27 | P | 64.6 | Low | 63.6 | Low | 118 Ų | 118 | 102.1 Ų | 102.1 | 77% | 0.766 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -66.7 | -20.3 | 174.4 | 24.4 | -38.2 | 0 | 0 | 0 | 115 | S25 C29 | S25-P27 VanDerWaalsContact C-CD 3.41Å; S25-P27 VanDerWaalsContact C-N 3.32Å; P27-C29 VanDerWaalsContact C-N 3.27Å |
| 28 | D | 68.3 | Low | 63.4 | Low | 107 Ų | 107 | 107 Ų | 107 | 57% | 0.572 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -85.6 | -3.9 | 176.6 | -65.4 | -67.1 | 0 | 0 | 0 | 112.2 | S25 L26 T30 | S25-D28 WeakPolarHBondContact O-CB 3.48Å; S25-D28 PolarHBondContact O-N 2.84Å; L26-D28 VanDerWaalsContact C-N 3.26Å; L26-D28 PolarHBondContact O-N 2.99Å; D28-T30 PolarHBondContact O-N 2.69Å |
| 29 | C | 70.3 | Confident | 62.7 | Low | 19 Ų | 19 | 110.3 Ų | 110.3 | 13% | 0.128 | 62% | 0.617 | C | S | . | * | S | Bend | trans | -73.3 | 127.1 | 176.4 | -52.2 | 0 | 0 | 0 | 0 | 111.1 | C19 E23 L26 P27 P31 | C19-C29 HydrophobicContact CB-CB 3.83Å; C19-C29 WeakPolarHBondContact CB-SG 3.41Å; C19-C29 WeakPolarHBondContact SG-CB 3.47Å; C19-C29 CovalentContact SG-SG 2.01Å; C19-C29 PolarHBondContact SG-SG 2.92Å; E23-C29 WeakPolarHBondContact OE1-CA 3.23Å; E23-C29 PolarHBondContact OE1-SG 3Å; E23-C29 WeakPolarHBondContact OE1-CB 2.95Å; L26-C29 WeakPolarHBondContact O-CB 3.5Å; L26-C29 PolarHBondContact O-N 2.82Å; L26-C29 PolarHBondContact O-SG 2.84Å; P27-C29 VanDerWaalsContact C-N 3.27Å; C29-P31 VanDerWaalsContact O-CD 3.23Å; C29-P31 WeakPolarHBondContact O-CD 3.41Å; C29-P31 VanDerWaalsContact O-N 3.15Å |
| 30 | T | 66.3 | Low | 62.3 | Low | 102 Ų | 102 | 113.2 Ų | 113.2 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 117.2 | 170.3 | 55.1 | 0 | 0 | 0 | 0 | 108.2 | D28 H32 | D28-T30 PolarHBondContact O-N 2.69Å; T30-H32 PolarHBondContact O-N 2.7Å |
| 31 | P | 63.7 | Low | 61.4 | Low | 104 Ų | 104 | 108.1 Ų | 108.1 | 68% | 0.675 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -62 | 134.7 | 175.4 | 25.6 | -32 | 0 | 0 | 0 | 108.1 | C29 | C29-P31 VanDerWaalsContact O-CD 3.23Å; C29-P31 WeakPolarHBondContact O-CD 3.41Å; C29-P31 VanDerWaalsContact O-N 3.15Å |
| 32 | H | 62.8 | Low | 60.4 | Low | 102 Ų | 102 | 107.8 Ų | 107.8 | 47% | 0.472 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 140.1 | 177.9 | -133 | -140.3 | 0 | 0 | 0 | 108.6 | S18 T30 N34 S35 | S18-H32 WeakPolarHBondContact OG-CB 3.37Å; S18-H32 VanDerWaalsContact OG-CG 3.32Å; T30-H32 PolarHBondContact O-N 2.7Å; H32-N34 PolarHBondContact O-N 3.18Å; H32-S35 PolarHBondContact N-OG 3.21Å; H32-S35 WeakPolarHBondContact O-CB 3.47Å; H32-S35 PolarHBondContact O-N 2.61Å; H32-S35 PolarHBondContact O-OG 2.97Å |
| 33 | P | 59.2 | Low | 59.8 | Low | 119 Ų | 119 | 113.6 Ų | 113.6 | 77% | 0.773 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -16.9 | -179.7 | 23.1 | -32.5 | 0 | 0 | 0 | 113.2 | | |
| 34 | N | 53.8 | Low | 58.8 | Low | 142 Ų | 142 | 120.3 Ų | 120.3 | 76% | 0.759 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 6.1 | 174.7 | -56.3 | -22.5 | 0 | 0 | 0 | 113.1 | H32 I36 | H32-N34 PolarHBondContact O-N 3.18Å; N34-I36 PolarHBondContact O-N 3.07Å |
| 35 | S | 59.5 | Low | 57.7 | Low | 53 Ų | 53 | 113.1 Ų | 113.1 | 37% | 0.371 | 66% | 0.655 | S | S | . | * | | | trans | -72.2 | 112.6 | 169.6 | 64.7 | 0 | 0 | 0 | 0 | 106.6 | H32 S37 | H32-S35 PolarHBondContact N-OG 3.21Å; H32-S35 WeakPolarHBondContact O-CB 3.47Å; H32-S35 PolarHBondContact O-N 2.61Å; H32-S35 PolarHBondContact O-OG 2.97Å; S35-S37 PolarHBondContact O-N 2.67Å |
| 36 | I | 56.2 | Low | 57.4 | Low | 153 Ų | 153 | 119.7 Ų | 119.7 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | | | trans | -61.5 | 99.6 | 162.5 | -69.1 | 158.9 | 0 | 0 | 0 | 103.8 | N34 I38 | N34-I36 PolarHBondContact O-N 3.07Å; I36-I38 VanDerWaalsContact C-N 3.28Å; I36-I38 PolarHBondContact O-N 3.36Å |
| 37 | S | 58 | Low | 57.1 | Low | 91 Ų | 91 | 119 Ų | 119 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | | | trans | -56 | 106.9 | 163.2 | -170.4 | 0 | 0 | 0 | 0 | 103.7 | S35 D39 | S35-S37 PolarHBondContact O-N 2.67Å; S37-D39 PolarHBondContact O-N 2.91Å |
| 38 | I | 55.8 | Low | 56.7 | Low | 161 Ų | 161 | 119.1 Ų | 119.1 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | | | trans | -69.6 | 81.8 | 166.5 | -38.8 | 178.3 | 0 | 0 | 0 | 102.1 | I36 A40 | I36-I38 VanDerWaalsContact C-N 3.28Å; I36-I38 PolarHBondContact O-N 3.36Å; I38-A40 PolarHBondContact O-N 2.72Å |
| 39 | D | 51.5 | Low | 56 | Low | 122 Ų | 122 | 119.7 Ų | 119.7 | 65% | 0.652 | 70% | 0.699 | S | S | * | * | | | trans | -47.4 | 136.6 | -173.5 | 172.2 | -123.3 | 0 | 0 | 0 | 107.5 | S37 G41 | S37-D39 PolarHBondContact O-N 2.91Å; D39-G41 PolarHBondContact O-N 2.87Å |
| 40 | A | 54.8 | Low | 55.2 | Low | 88 Ų | 88 | 125.6 Ų | 125.6 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | trans | -56.2 | 78.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | I38 | I38-A40 PolarHBondContact O-N 2.72Š|
| 41 | G | 49 | Very low | 54.5 | Low | 47 Ų | 47 | 127.1 Ų | 127.1 | 49% | 0.485 | 74% | 0.74 | S | S | . | * | | | trans | -52.5 | 135.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | D39 R43 | D39-G41 PolarHBondContact O-N 2.87Å; G41-R43 PolarHBondContact O-N 2.8Å; G41-R43 VanDerWaalsContact O-N 3.08Å |
| 42 | P | 44.5 | Very low | 53.9 | Low | 126 Ų | 126 | 128.7 Ų | 128.7 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | -53 | 128.8 | -175.4 | 23.9 | -32 | 0 | 0 | 0 | 107.1 | Q44 | P42-Q44 PolarHBondContact O-N 3.08Å; P42-Q44 VanDerWaalsContact O-N 3.08Å |
| 43 | R | 55 | Low | 53.3 | Low | 239 Ų | 239 | 130.6 Ų | 130.6 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | | | trans | -31.3 | 122.7 | 165.8 | -82.7 | 172.5 | 153.1 | -104.1 | -1 | 107.6 | G41 A45 | G41-R43 PolarHBondContact O-N 2.8Å; G41-R43 VanDerWaalsContact O-N 3.08Å; R43-A45 PolarHBondContact O-N 3.08Å |
| 44 | Q | 52.2 | Low | 52.8 | Low | 198 Ų | 198 | 131.5 Ų | 131.5 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | | | trans | -34.8 | 105.1 | 173 | -72.1 | 178 | 65.4 | 0 | 0 | 108.6 | P42 | P42-Q44 PolarHBondContact O-N 3.08Å; P42-Q44 VanDerWaalsContact O-N 3.08Å |
| 45 | A | 43.1 | Very low | 52.7 | Low | 86 Ų | 86 | 130.6 Ų | 130.6 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | trans | -71.6 | 143.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | R43 | R43-A45 PolarHBondContact O-N 3.08Š|
| 46 | P | 53.1 | Low | 52.1 | Low | 203 Ų | 203 | 137.6 Ų | 137.6 | 100% | 1.318 | 80% | 0.799 | S | S | * | * | | | trans | -57.2 | 0 | -169.6 | 24.1 | -34.7 | 0 | 0 | 0 | 113.9 | | |