| 1 | M | 68.1 | Low | 64.7 | Low | 234 Ų | 234 | 144.3 Ų | 144.3 | 100% | 1.153 | 77% | 0.768 | S | S | * | * | | | | 0 | 110.3 | 0 | -80.3 | -69.6 | -156 | 0 | 0 | 107.4 | | |
| 2 | D | 70.1 | Confident | 64.4 | Low | 98 Ų | 98 | 140.7 Ų | 140.7 | 52% | 0.524 | 76% | 0.758 | S | S | . | * | | | trans | -82.2 | 121.6 | -172.6 | -154.5 | -44 | 0 | 0 | 0 | 110.9 | L4 Q5 | D2-L4 VanDerWaalsContact O-N 3.11Å; D2-L4 PolarHBondContact O-N 3.42Å; D2-L4 PolarHBondContact OD1-N 2.85Å; D2-Q5 PolarHBondContact O-N 3.18Å; D2-Q5 VanDerWaalsContact O-N 3.16Å |
| 3 | P | 64.4 | Low | 64.2 | Low | 93 Ų | 93 | 137.9 Ų | 137.9 | 60% | 0.604 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -62.6 | -17.1 | -178.4 | -19.2 | 31 | 0 | 0 | 0 | 113.8 | Q5 K6 | P3-Q5 VanDerWaalsContact C-N 3.28Å; P3-Q5 PolarHBondContact O-N 3.36Å; P3-K6 WeakPolarHBondContact O-CB 3.03Å; P3-K6 PolarHBondContact O-N 3.08Å; P3-K6 VanDerWaalsContact O-N 3.17Å |
| 4 | L | 62.2 | Low | 64 | Low | 142 Ų | 142 | 142.1 Ų | 142.1 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -73.5 | -17.6 | 178.1 | -65.8 | 171.8 | 0 | 0 | 0 | 113.2 | D2 K6 | D2-L4 VanDerWaalsContact O-N 3.11Å; D2-L4 PolarHBondContact O-N 3.42Å; D2-L4 PolarHBondContact OD1-N 2.85Å; L4-K6 PolarHBondContact O-N 3.17Å |
| 5 | Q | 61.2 | Low | 63.8 | Low | 176 Ų | 176 | 139.4 Ų | 139.4 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -73.9 | -12.2 | 168.9 | -65.2 | -156 | -11 | 0 | 0 | 113.3 | D2 P3 R7 | D2-Q5 PolarHBondContact O-N 3.18Å; D2-Q5 VanDerWaalsContact O-N 3.16Å; P3-Q5 VanDerWaalsContact C-N 3.28Å; P3-Q5 PolarHBondContact O-N 3.36Å; Q5-R7 PolarHBondContact O-N 2.8Å |
| 6 | K | 64.6 | Low | 63.6 | Low | 184 Ų | 184 | 137.1 Ų | 137.1 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -80.9 | -1.3 | 177.5 | -68.5 | -174 | 173.5 | -176.8 | 0 | 113.5 | P3 L4 | P3-K6 WeakPolarHBondContact O-CB 3.03Å; P3-K6 PolarHBondContact O-N 3.08Å; P3-K6 VanDerWaalsContact O-N 3.17Å; L4-K6 PolarHBondContact O-N 3.17Å |
| 7 | R | 68.4 | Low | 63.7 | Low | 199 Ų | 199 | 135.1 Ų | 135.1 | 75% | 0.751 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -130.4 | 95.5 | 179.7 | -72 | -163.3 | -95.7 | 180 | -4.8 | 111.6 | Q5 | Q5-R7 PolarHBondContact O-N 2.8Š|
| 8 | N | 64 | Low | 63.8 | Low | 145 Ų | 145 | 137.7 Ų | 137.7 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | | | trans | 110.8 | 156.9 | 141.8 | -63.1 | 4.6 | 0 | 0 | 0 | 116.3 | | |
| 9 | P | 64.1 | Low | 63.8 | Low | 114 Ų | 114 | 136.9 Ų | 136.9 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | | | cis | -141.7 | 123.3 | -49.2 | 36 | -19.4 | 0 | 0 | 0 | 109.9 | | |
| 10 | A | 62.9 | Low | 63.7 | Low | 92 Ų | 92 | 134.5 Ų | 134.5 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | | | trans | -161.8 | 83.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | P12 | A10-P12 VanDerWaalsContact C-CD 3.49Å; A10-P12 WeakPolarHBondContact O-CD 3.37Å |
| 11 | S | 61.8 | Low | 63.7 | Low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -77.4 | 105.8 | 143.1 | -169.9 | 0 | 0 | 0 | 0 | 104.6 | S13 | S11-S13 PolarHBondContact O-N 2.92Š|
| 12 | P | 60.9 | Low | 63.3 | Low | 101 Ų | 101 | 129.7 Ų | 129.7 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | | | trans | -61.1 | 101.1 | 158.9 | 25.8 | -29.2 | 0 | 0 | 0 | 105 | A10 K14 | A10-P12 VanDerWaalsContact C-CD 3.49Å; A10-P12 WeakPolarHBondContact O-CD 3.37Å; P12-K14 VanDerWaalsContact C-N 3.34Å; P12-K14 PolarHBondContact O-N 2.86Å |
| 13 | S | 61.7 | Low | 62.9 | Low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | trans | -51.9 | 111.3 | 159.7 | -74.6 | 0 | 0 | 0 | 0 | 104.5 | S11 S15 | S11-S13 PolarHBondContact O-N 2.92Å; S13-S15 PolarHBondContact O-N 3.04Å |
| 14 | K | 61.6 | Low | 62.9 | Low | 197 Ų | 197 | 131.3 Ų | 131.3 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | | | trans | -67.9 | 73.5 | 172.4 | -66 | -167.1 | -177.5 | -176 | 0 | 107.2 | P12 S16 | P12-K14 VanDerWaalsContact C-N 3.34Å; P12-K14 PolarHBondContact O-N 2.86Å; K14-S16 PolarHBondContact O-N 2.83Å |
| 15 | S | 61.3 | Low | 62.9 | Low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | -66.4 | 91.9 | 154 | 167.7 | 0 | 0 | 0 | 0 | 105 | S13 | S13-S15 PolarHBondContact O-N 3.04Š|
| 16 | S | 61 | Low | 63.1 | Low | 102 Ų | 102 | 132.9 Ų | 132.9 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | trans | -100.4 | 103.8 | 149.8 | -61.6 | 0 | 0 | 0 | 0 | 104.6 | K14 M18 | K14-S16 PolarHBondContact O-N 2.83Å; S16-M18 VanDerWaalsContact C-N 3.34Å; S16-M18 PolarHBondContact O-N 2.8Å |
| 17 | P | 64.2 | Low | 63.6 | Low | 104 Ų | 104 | 126.2 Ų | 126.2 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | trans | -61.2 | 110.1 | 159.1 | 26.7 | -29.5 | 0 | 0 | 0 | 105.1 | T19 | P17-T19 PolarHBondContact O-N 3.03Å; P17-T19 VanDerWaalsContact C-N 3.34Å |
| 18 | M | 65.9 | Low | 64 | Low | 182 Ų | 182 | 123 Ų | 123 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | | | trans | -62 | 106.4 | 162.3 | -174.8 | 99.2 | 136 | 0 | 0 | 104.9 | S16 A20 | S16-M18 VanDerWaalsContact C-N 3.34Å; S16-M18 PolarHBondContact O-N 2.8Å; M18-A20 PolarHBondContact O-N 2.99Å |
| 19 | T | 63.5 | Low | 64.7 | Low | 122 Ų | 122 | 119.5 Ų | 119.5 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | trans | -54.7 | 113.1 | 167.5 | -59.4 | 0 | 0 | 0 | 0 | 106.3 | P17 A21 | P17-T19 PolarHBondContact O-N 3.03Å; P17-T19 VanDerWaalsContact C-N 3.34Å; T19-A21 VanDerWaalsContact C-N 3.26Å; T19-A21 PolarHBondContact O-N 2.98Å |
| 20 | A | 61.4 | Low | 65.4 | Low | 89 Ų | 89 | 119.9 Ų | 119.9 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | | | trans | -61.6 | 98.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | M18 E22 | M18-A20 PolarHBondContact O-N 2.99Å; A20-E22 PolarHBondContact O-N 3.05Å |
| 21 | A | 64.2 | Low | 66.4 | Low | 83 Ų | 83 | 121.3 Ų | 121.3 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | | | trans | -53.4 | 119.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | T19 T23 | T19-A21 VanDerWaalsContact C-N 3.26Å; T19-A21 PolarHBondContact O-N 2.98Å; A21-T23 VanDerWaalsContact C-N 3.3Å; A21-T23 PolarHBondContact O-N 2.68Å |
| 22 | E | 60.8 | Low | 67.5 | Low | 184 Ų | 184 | 124.4 Ų | 124.4 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | | | trans | -53 | 99.3 | 170.7 | -75.9 | 170.5 | 92.6 | 0 | 0 | 107.5 | A20 S24 | A20-E22 PolarHBondContact O-N 3.05Å; E22-S24 PolarHBondContact O-N 2.92Å |
| 23 | T | 60.2 | Low | 68.5 | Low | 126 Ų | 126 | 124.4 Ų | 124.4 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | -70.9 | 81 | 160.5 | 2.6 | 0 | 0 | 0 | 0 | 105.8 | A21 Q25 | A21-T23 VanDerWaalsContact C-N 3.3Å; A21-T23 PolarHBondContact O-N 2.68Å; T23-Q25 PolarHBondContact O-N 2.84Å |
| 24 | S | 64.1 | Low | 69.4 | Low | 100 Ų | 100 | 125.5 Ų | 125.5 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | -63 | 76.9 | 151.6 | -63.9 | 0 | 0 | 0 | 0 | 106.3 | E22 E26 | E22-S24 PolarHBondContact O-N 2.92Å; S24-E26 PolarHBondContact O-N 3.17Å |
| 25 | Q | 62.8 | Low | 70 | Confident | 176 Ų | 176 | 129.7 Ų | 129.7 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | -69.3 | 80.9 | 151.1 | -87 | -168.3 | 11.1 | 0 | 0 | 105.1 | T23 G27 | T23-Q25 PolarHBondContact O-N 2.84Å; Q25-G27 PolarHBondContact O-N 3.41Å |
| 26 | E | 65 | Low | 70.4 | Confident | 175 Ų | 175 | 131.2 Ų | 131.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -62.9 | 91.2 | 153.2 | -164.3 | 171.4 | 127.7 | 0 | 0 | 104.8 | S24 | S24-E26 PolarHBondContact O-N 3.17Š|
| 27 | G | 75.6 | Confident | 70.9 | Confident | 43 Ų | 43 | 132.7 Ų | 132.7 | 44% | 0.443 | 78% | 0.776 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 162.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109 | Q25 A29 | Q25-G27 PolarHBondContact O-N 3.41Å; G27-A29 PolarHBondContact O-N 3.47Å; G27-A29 VanDerWaalsContact O-N 3.17Å |
| 28 | P | 76.4 | Confident | 71.3 | Confident | 132 Ų | 132 | 134.3 Ų | 134.3 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -48.8 | 130.2 | 179.5 | 21.7 | -32.7 | 0 | 0 | 0 | 109.9 | | |
| 29 | A | 79.6 | Confident | 71.6 | Confident | 72 Ų | 72 | 131.5 Ų | 131.5 | 60% | 0.595 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 138.4 | -176 | 0 | 0 | 0 | 0 | 0 | 110.5 | G27 S31 | G27-A29 PolarHBondContact O-N 3.47Å; G27-A29 VanDerWaalsContact O-N 3.17Å; A29-S31 PolarHBondContact O-N 3.11Å; A29-S31 VanDerWaalsContact O-N 3.08Å |
| 30 | P | 77.8 | Confident | 72.1 | Confident | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 121.9 | 179.8 | 21.1 | -30.4 | 0 | 0 | 0 | 108.9 | Q32 | P30-Q32 PolarHBondContact O-N 3.16Š|
| 31 | S | 84.5 | Confident | 72.8 | Confident | 121 Ų | 121 | 134.9 Ų | 134.9 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 122.2 | 178.4 | -55.7 | 0 | 0 | 0 | 0 | 108.6 | A29 | A29-S31 PolarHBondContact O-N 3.11Å; A29-S31 VanDerWaalsContact O-N 3.08Å |
| 32 | Q | 84.3 | Confident | 73.4 | Confident | 176 Ų | 176 | 138.6 Ų | 138.6 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 144.4 | 179.7 | -65.4 | -151.8 | -59.1 | 0 | 0 | 110.5 | P30 S34 | P30-Q32 PolarHBondContact O-N 3.16Å; Q32-S34 PolarHBondContact O-N 3.41Å |
| 33 | P | 82.8 | Confident | 74.4 | Confident | 100 Ų | 100 | 135.2 Ų | 135.2 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66 | 130.9 | 175 | 25.3 | -31 | 0 | 0 | 0 | 110.4 | Y35 | P33-Y35 HydrophobicContact CB-CD2 4.12Å; P33-Y35 HydrophobicContact CB-CE2 3.86Å; P33-Y35 HydrophobicContact CG-CD2 4.33Å; P33-Y35 HydrophobicContact CG-CE2 4.06Å; P33-Y35 PolarHBondContact O-N 3.31Å |
| 34 | S | 80.5 | Confident | 75.6 | Confident | 128 Ų | 128 | 135.9 Ų | 135.9 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | | | trans | -78 | 106.5 | 168.5 | -58.2 | 0 | 0 | 0 | 0 | 109.1 | Q32 | Q32-S34 PolarHBondContact O-N 3.41Š|
| 35 | Y | 73.9 | Confident | 76.6 | Confident | 286 Ų | 286 | 139.2 Ų | 139.2 | 100% | 1.122 | 79% | 0.787 | S | S | * | * | | | trans | -105.5 | 0 | 161.7 | -74.6 | -83.5 | 0 | 0 | 0 | 109.3 | P33 | P33-Y35 HydrophobicContact CB-CD2 4.12Å; P33-Y35 HydrophobicContact CB-CE2 3.86Å; P33-Y35 HydrophobicContact CG-CD2 4.33Å; P33-Y35 HydrophobicContact CG-CE2 4.06Å; P33-Y35 PolarHBondContact O-N 3.31Å |