| 1 | G | 64.3 | Low | 82.6 | Confident | 133 Ų | 133 | 130.3 Ų | 130.3 | 100% | 1.371 | 72% | 0.724 | S | S | * | * | | | | 0 | 113.6 | 0 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 2 | G | 82.8 | Confident | 82.3 | Confident | 75 Ų | 75 | 127.2 Ų | 127.2 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 140.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I4 | G2-I4 PolarHBondContact O-N 3.32Š|
| 3 | M | 84.4 | Confident | 81.7 | Confident | 189 Ų | 189 | 130.4 Ų | 130.4 | 93% | 0.931 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 133.7 | 172 | -81.4 | 177.9 | -67.2 | 0 | 0 | 109.9 | N5 | M3-N5 PolarHBondContact O-N 3.39Š|
| 4 | I | 87.3 | Confident | 81 | Confident | 111 Ų | 111 | 137.1 Ų | 137.1 | 57% | 0.569 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 119 | 174.2 | -63.8 | 170.8 | 0 | 0 | 0 | 107.3 | G2 W6 L9 | G2-I4 PolarHBondContact O-N 3.32Å; I4-W6 PolarHBondContact O-N 3.07Å; I4-L9 HydrophobicContact CG2-CD1 3.57Å |
| 5 | N | 84.9 | Confident | 80.1 | Confident | 96 Ų | 96 | 140.5 Ų | 140.5 | 51% | 0.513 | 75% | 0.745 | S | S | . | * | | | trans | -76 | 96.1 | 172.6 | -173.9 | -24.6 | 0 | 0 | 0 | 108.9 | M3 N7 R8 | M3-N5 PolarHBondContact O-N 3.39Å; N5-N7 PolarHBondContact O-N 3.5Å; N5-N7 WeakPolarHBondContact OD1-CA 3.34Å; N5-N7 VanDerWaalsContact OD1-CB 3.3Å; N5-N7 WeakPolarHBondContact OD1-CB 3.3Å; N5-N7 PolarHBondContact OD1-N 2.78Å; N5-R8 HydrophobicContact CB-CB 4.23Å; N5-R8 WeakPolarHBondContact O-CB 3.48Å; N5-R8 PolarHBondContact O-N 2.96Å; N5-R8 PolarHBondContact OD1-N 2.91Å |
| 6 | W | 86.3 | Confident | 79.1 | Confident | 159 Ų | 159 | 146.4 Ų | 146.4 | 60% | 0.602 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -60.2 | -32.8 | 177.5 | -75 | 103.5 | 0 | 0 | 0 | 113.1 | I4 R8 L9 F10 | I4-W6 PolarHBondContact O-N 3.07Å; W6-R8 PolarHBondContact O-N 3.18Å; W6-R8 VanDerWaalsContact O-N 3.13Å; W6-L9 PolarHBondContact O-N 2.78Å; W6-L9 HydrophobicContact CZ3-CD1 4.32Å; W6-L9 HydrophobicContact CE3-CD1 4.19Å; W6-F10 AromaticContact CE3-CD2 3.87Å; W6-F10 HydrophobicContact CE3-CD2 3.87Å; W6-F10 HydrophobicContact CE3-CE2 4.03Å; W6-F10 HydrophobicContact CZ3-CD2 4.1Å; W6-F10 AromaticContact CZ3-CE2 3.78Å; W6-F10 HydrophobicContact CZ3-CE2 3.78Å; W6-F10 PolarHBondContact O-N 2.69Å |
| 7 | N | 84.4 | Confident | 78.2 | Confident | 117 Ų | 117 | 148 Ų | 148 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -65.3 | -17.9 | 176.4 | -61.5 | -7.3 | 0 | 0 | 0 | 112.7 | N5 | N5-N7 PolarHBondContact O-N 3.5Å; N5-N7 WeakPolarHBondContact OD1-CA 3.34Å; N5-N7 VanDerWaalsContact OD1-CB 3.3Å; N5-N7 WeakPolarHBondContact OD1-CB 3.3Å; N5-N7 PolarHBondContact OD1-N 2.78Å |
| 8 | R | 82.7 | Confident | 76.9 | Confident | 220 Ų | 220 | 144.6 Ų | 144.6 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -84 | -28.6 | 173.4 | -169.7 | 171.1 | -179.2 | -122.4 | -0 | 112.6 | N5 W6 | N5-R8 HydrophobicContact CB-CB 4.23Å; N5-R8 WeakPolarHBondContact O-CB 3.48Å; N5-R8 PolarHBondContact O-N 2.96Å; N5-R8 PolarHBondContact OD1-N 2.91Å; W6-R8 PolarHBondContact O-N 3.18Å; W6-R8 VanDerWaalsContact O-N 3.13Å |
| 9 | L | 89.3 | Confident | 75.9 | Confident | 98 Ų | 98 | 142.9 Ų | 142.9 | 51% | 0.513 | 74% | 0.738 | S | S | . | * | H | α-helix | trans | -87 | -38.7 | 179.1 | -62.9 | 178.3 | 0 | 0 | 0 | 111.6 | I4 W6 | I4-L9 HydrophobicContact CG2-CD1 3.57Å; W6-L9 PolarHBondContact O-N 2.78Å; W6-L9 HydrophobicContact CZ3-CD1 4.32Å; W6-L9 HydrophobicContact CE3-CD1 4.19Å |
| 10 | F | 83.5 | Confident | 74.9 | Confident | 140 Ų | 140 | 143.2 Ų | 143.2 | 61% | 0.614 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -131.5 | 90.8 | 179.3 | -60.1 | -82.8 | 0 | 0 | 0 | 107.2 | W6 | W6-F10 AromaticContact CE3-CD2 3.87Å; W6-F10 HydrophobicContact CE3-CD2 3.87Å; W6-F10 HydrophobicContact CE3-CE2 4.03Å; W6-F10 HydrophobicContact CZ3-CD2 4.1Å; W6-F10 AromaticContact CZ3-CE2 3.78Å; W6-F10 HydrophobicContact CZ3-CE2 3.78Å; W6-F10 PolarHBondContact O-N 2.69Å |
| 11 | P | 79.2 | Confident | 74.1 | Confident | 95 Ų | 95 | 144.4 Ų | 144.4 | 62% | 0.617 | 74% | 0.737 | S | S | * | * | | | trans | -57.3 | 139.5 | 174.6 | 24.6 | -32.4 | 0 | 0 | 0 | 108.5 | L13 | P11-L13 PolarHBondContact O-N 2.75Š|
| 12 | P | 78.5 | Confident | 73.8 | Confident | 93 Ų | 93 | 146.7 Ų | 146.7 | 60% | 0.604 | 71% | 0.712 | S | S | * | * | | | trans | -56.8 | 134.5 | 179.6 | 23.2 | -32.8 | 0 | 0 | 0 | 108.7 | R14 | P12-R14 VanDerWaalsContact C-N 3.29Å; P12-R14 PolarHBondContact O-N 2.75Å |
| 13 | L | 75.1 | Confident | 72.7 | Confident | 169 Ų | 169 | 146.6 Ų | 146.6 | 89% | 0.885 | 71% | 0.711 | S | S | * | * | | | trans | -58.9 | 98.2 | 176.1 | -67.3 | 175.5 | 0 | 0 | 0 | 107.4 | P11 Q15 | P11-L13 PolarHBondContact O-N 2.75Å; L13-Q15 PolarHBondContact O-N 2.95Å |
| 14 | R | 71.3 | Confident | 71.4 | Confident | 225 Ų | 225 | 139.9 Ų | 139.9 | 85% | 0.849 | 69% | 0.69 | S | S | * | * | | | trans | -60.5 | 111.2 | 171 | -73.6 | 177.8 | 154 | 176.8 | -7.8 | 104.9 | P12 R16 | P12-R14 VanDerWaalsContact C-N 3.29Å; P12-R14 PolarHBondContact O-N 2.75Å; R14-R16 PolarHBondContact O-N 2.96Å |
| 15 | Q | 66.9 | Low | 69.9 | Low | 188 Ų | 188 | 145.8 Ų | 145.8 | 88% | 0.879 | 71% | 0.705 | S | S | * | * | | | trans | -57.5 | 91.4 | 165.7 | -70.7 | 179.6 | -20.2 | 0 | 0 | 105.5 | L13 Q17 | L13-Q15 PolarHBondContact O-N 2.95Å; Q15-Q17 PolarHBondContact O-N 2.76Å |
| 16 | R | 64.6 | Low | 68.4 | Low | 235 Ų | 235 | 150.1 Ų | 150.1 | 89% | 0.887 | 72% | 0.723 | S | S | * | * | | | trans | -59.5 | 97.4 | 169.8 | -86.9 | 177.3 | 147.8 | 174.5 | -6.5 | 103.6 | R14 N18 | R14-R16 PolarHBondContact O-N 2.96Å; R16-N18 VanDerWaalsContact C-N 3.34Å; R16-N18 PolarHBondContact O-N 2.83Å |
| 17 | Q | 63.3 | Low | 67.1 | Low | 173 Ų | 173 | 148.6 Ų | 148.6 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | | | trans | -51 | 112.9 | 161.4 | -66.6 | -177.9 | 13.1 | 0 | 0 | 104 | Q15 V19 | Q15-Q17 PolarHBondContact O-N 2.76Å; Q17-V19 PolarHBondContact O-N 2.98Å; Q17-V19 VanDerWaalsContact C-N 3.34Å; Q17-V19 WeakPolarHBondContact O-CG2 3.43Å |
| 18 | N | 55.5 | Low | 65.8 | Low | 86 Ų | 86 | 151.1 Ų | 151.1 | 46% | 0.46 | 74% | 0.744 | S | S | . | * | | | trans | -62.8 | 99.1 | -167.3 | -172.3 | -9.1 | 0 | 0 | 0 | 107.7 | R16 N20 Y21 | R16-N18 VanDerWaalsContact C-N 3.34Å; R16-N18 PolarHBondContact O-N 2.83Å; N18-N20 PolarHBondContact O-N 3.29Å; N18-N20 PolarHBondContact OD1-N 3.05Å; N18-N20 WeakPolarHBondContact OD1-CB 3.32Å; N18-N20 VanDerWaalsContact OD1-CB 3.3Å; N18-Y21 HydrophobicContact CB-CD2 3.98Å; N18-Y21 VanDerWaalsContact ND2-CD2 3.34Å; N18-Y21 WeakPolarHBondContact ND2-CD2 3.34Å; N18-Y21 VanDerWaalsContact ND2-CE2 3.34Å; N18-Y21 WeakPolarHBondContact ND2-CE2 3.3Å; N18-Y21 PolarHBondContact O-N 3.23Å |
| 19 | V | 57.9 | Low | 64.7 | Low | 113 Ų | 113 | 145.9 Ų | 145.9 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -15.7 | -179.4 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | Q17 Y21 | Q17-V19 PolarHBondContact O-N 2.98Å; Q17-V19 VanDerWaalsContact C-N 3.34Å; Q17-V19 WeakPolarHBondContact O-CG2 3.43Å; V19-Y21 PolarHBondContact O-N 3.28Å |
| 20 | N | 56.8 | Low | 63.4 | Low | 148 Ų | 148 | 145.9 Ų | 145.9 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 0.5 | 172.1 | -62.9 | -60.7 | 0 | 0 | 0 | 114.3 | N18 Q22 | N18-N20 PolarHBondContact O-N 3.29Å; N18-N20 PolarHBondContact OD1-N 3.05Å; N18-N20 WeakPolarHBondContact OD1-CB 3.32Å; N18-N20 VanDerWaalsContact OD1-CB 3.3Å; N20-Q22 PolarHBondContact O-N 3.13Å |
| 21 | Y | 57.2 | Low | 62.2 | Low | 169 Ų | 169 | 143 Ų | 143 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | | | trans | -97.9 | 54.4 | 166.5 | -81.8 | -94.8 | 0 | 0 | 0 | 111.4 | N18 V19 G23 | N18-Y21 HydrophobicContact CB-CD2 3.98Å; N18-Y21 VanDerWaalsContact ND2-CD2 3.34Å; N18-Y21 WeakPolarHBondContact ND2-CD2 3.34Å; N18-Y21 VanDerWaalsContact ND2-CE2 3.34Å; N18-Y21 WeakPolarHBondContact ND2-CE2 3.3Å; N18-Y21 PolarHBondContact O-N 3.23Å; V19-Y21 PolarHBondContact O-N 3.28Å; Y21-G23 PolarHBondContact O-N 3.01Å |
| 22 | Q | 57.1 | Low | 61.3 | Low | 181 Ų | 181 | 143.7 Ų | 143.7 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | | | trans | -89.6 | 60.4 | 155.4 | -70.3 | -173.1 | -3.3 | 0 | 0 | 109.1 | N20 | N20-Q22 PolarHBondContact O-N 3.13Š|
| 23 | G | 60.1 | Low | 60.3 | Low | 74 Ų | 74 | 145 Ų | 145 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -177.7 | 34.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | Y21 | Y21-G23 PolarHBondContact O-N 3.01Š|
| 24 | G | 57.7 | Low | 59.2 | Low | 48 Ų | 48 | 143.9 Ų | 143.9 | 50% | 0.495 | 76% | 0.762 | S | S | . | * | S | Bend | trans | 114.7 | 134.3 | 164 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 25 | R | 54.9 | Low | 58.6 | Low | 234 Ų | 234 | 142 Ų | 142 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 83.6 | 80.8 | 172.8 | -47.6 | -153.7 | 167 | -167.8 | -4.4 | 113.8 | | |
| 26 | Q | 54.1 | Low | 58.3 | Low | 188 Ų | 188 | 138.7 Ų | 138.7 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | | | | 44.5 | 97.3 | 125.3 | -53.4 | -139.8 | -47.3 | 0 | 0 | 113.6 | E28 | Q26-E28 PolarHBondContact O-N 3.35Š|
| 27 | S | 58.8 | Low | 58.2 | Low | 127 Ų | 127 | 132 Ų | 132 | 89% | 0.888 | 75% | 0.745 | S | S | * | * | | | trans | -50.8 | 78.4 | 154.7 | -45.2 | 0 | 0 | 0 | 0 | 110.2 | P29 | S27-P29 WeakPolarHBondContact O-CD 3.47Š|
| 28 | E | 58.4 | Low | 58.3 | Low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | trans | -79.1 | 114.2 | 150.9 | -163.7 | 129.1 | 88.5 | 0 | 0 | 104.4 | Q26 A30 | Q26-E28 PolarHBondContact O-N 3.35Å; E28-A30 PolarHBondContact O-N 2.88Å |
| 29 | P | 58.3 | Low | 58.8 | Low | 111 Ų | 111 | 136.6 Ų | 136.6 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | | | trans | -56 | 116.9 | 168.6 | 23.7 | -29.5 | 0 | 0 | 0 | 105.5 | S27 A31 | S27-P29 WeakPolarHBondContact O-CD 3.47Å; P29-A31 VanDerWaalsContact C-N 3.27Å; P29-A31 PolarHBondContact O-N 3.06Å |
| 30 | A | 61.6 | Low | 59.1 | Low | 97 Ų | 97 | 139.9 Ų | 139.9 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -54.5 | 104.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 105 | E28 | E28-A30 PolarHBondContact O-N 2.88Š|
| 31 | A | 58.2 | Low | 59.2 | Low | 79 Ų | 79 | 138.1 Ų | 138.1 | 65% | 0.653 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 136.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 106 | P29 | P29-A31 VanDerWaalsContact C-N 3.27Å; P29-A31 PolarHBondContact O-N 3.06Å |
| 32 | P | 61.4 | Low | 59.1 | Low | 111 Ų | 111 | 137.6 Ų | 137.6 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 135.3 | 172.5 | 22.7 | -32.2 | 0 | 0 | 0 | 106.8 | L34 | P32-L34 PolarHBondContact O-N 3.38Š|
| 33 | P | 57.2 | Low | 58.9 | Low | 119 Ų | 119 | 140.7 Ų | 140.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 119.3 | -179.2 | 21.3 | -31.7 | 0 | 0 | 0 | 105.7 | E35 | P33-E35 PolarHBondContact O-N 2.98Š|
| 34 | L | 52.2 | Low | 58.9 | Low | 146 Ų | 146 | 144.1 Ų | 144.1 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | -36.9 | 118.2 | -179.1 | 178.9 | 66.9 | 0 | 0 | 0 | 106.1 | P32 V36 | P32-L34 PolarHBondContact O-N 3.38Å; L34-V36 VanDerWaalsContact O-CG2 3.29Å; L34-V36 WeakPolarHBondContact O-CG2 3.29Å; L34-V36 PolarHBondContact O-N 2.77Å |
| 35 | E | 57.8 | Low | 58.9 | Low | 187 Ų | 187 | 149.1 Ų | 149.1 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -57.9 | 91.9 | 168.6 | -72 | -179 | 91.2 | 0 | 0 | 104.3 | P33 S37 | P33-E35 PolarHBondContact O-N 2.98Å; E35-S37 PolarHBondContact O-N 2.65Å |
| 36 | V | 61.3 | Low | 59.1 | Low | 117 Ų | 117 | 144.4 Ų | 144.4 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | | | trans | -70.7 | 83.3 | 167.9 | -159.4 | 0 | 0 | 0 | 0 | 101.2 | L34 E38 | L34-V36 VanDerWaalsContact O-CG2 3.29Å; L34-V36 WeakPolarHBondContact O-CG2 3.29Å; L34-V36 PolarHBondContact O-N 2.77Å; V36-E38 PolarHBondContact O-N 2.8Å |
| 37 | S | 63.2 | Low | 59.4 | Low | 96 Ų | 96 | 141.8 Ų | 141.8 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | | | trans | -51.8 | 102.8 | 168.3 | -121.4 | 0 | 0 | 0 | 0 | 104.3 | E35 E39 | E35-S37 PolarHBondContact O-N 2.65Å; S37-E39 PolarHBondContact O-N 2.8Å |
| 38 | E | 64.6 | Low | 59.5 | Low | 193 Ų | 193 | 142.8 Ų | 142.8 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -68.7 | 37.7 | 174.1 | 51.2 | -173.5 | 75.6 | 0 | 0 | 111.1 | V36 | V36-E38 PolarHBondContact O-N 2.8Š|
| 39 | E | 66.4 | Low | 59.5 | Low | 161 Ų | 161 | 141 Ų | 141 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | trans | -130 | 64.7 | 178.9 | -171.2 | -179.1 | 65.2 | 0 | 0 | 109.1 | S37 | S37-E39 PolarHBondContact O-N 2.8Š|
| 40 | Q | 64.8 | Low | 59.6 | Low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | trans | -121.9 | 63.9 | 143 | -77.7 | -173.4 | -35.3 | 0 | 0 | 107.1 | N42 | Q40-N42 PolarHBondContact O-N 3.11Å; Q40-N42 VanDerWaalsContact O-N 3.11Å |
| 41 | T | 57.6 | Low | 59.5 | Low | 110 Ų | 110 | 146.7 Ų | 146.7 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | | | trans | -74.2 | 92.3 | 155.7 | -49 | 0 | 0 | 0 | 0 | 105.9 | E43 | T41-E43 VanDerWaalsContact C-N 3.33Å; T41-E43 HydrophobicContact CG2-CG 4.47Å; T41-E43 PolarHBondContact O-N 3.21Å |
| 42 | N | 54.7 | Low | 59.6 | Low | 159 Ų | 159 | 152.3 Ų | 152.3 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | | | trans | -84 | 80.6 | 175.7 | -148.7 | 75.5 | 0 | 0 | 0 | 107.4 | Q40 | Q40-N42 PolarHBondContact O-N 3.11Å; Q40-N42 VanDerWaalsContact O-N 3.11Å |
| 43 | E | 53.9 | Low | 59.4 | Low | 246 Ų | 246 | 156.1 Ų | 156.1 | 100% | 1.15 | 82% | 0.816 | S | S | * | * | | | trans | -151 | 0 | 157.6 | 77.2 | -172.1 | 109.5 | 0 | 0 | 112.4 | T41 | T41-E43 VanDerWaalsContact C-N 3.33Å; T41-E43 HydrophobicContact CG2-CG 4.47Å; T41-E43 PolarHBondContact O-N 3.21Å |