| 1 | M | 60.1 | Low | 70.6 | Confident | 241 Ų | 241 | 153.2 Ų | 153.2 | 100% | 1.187 | 79% | 0.785 | S | S | * | * | | | | 0 | 123.5 | 0 | -67.7 | 173.6 | -177.9 | 0 | 0 | 106.1 | E3 | M1-E3 PolarHBondContact O-N 3.02Š|
| 2 | S | 73.2 | Confident | 69.7 | Low | 113 Ų | 113 | 150.2 Ų | 150.2 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 122 | 177.2 | 52.5 | 0 | 0 | 0 | 0 | 108.8 | V4 | S2-V4 PolarHBondContact O-N 2.7Š|
| 3 | E | 74.7 | Confident | 68.9 | Low | 185 Ų | 185 | 146.6 Ų | 146.6 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 124.4 | 172.7 | -62.6 | -168.5 | 169.8 | 0 | 0 | 109 | M1 L5 | M1-E3 PolarHBondContact O-N 3.02Å; E3-L5 PolarHBondContact O-N 3.32Å |
| 4 | V | 78.5 | Confident | 68.3 | Low | 138 Ų | 138 | 148.1 Ų | 148.1 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 117.6 | 173.7 | 173.5 | 0 | 0 | 0 | 0 | 107.1 | S2 | S2-V4 PolarHBondContact O-N 2.7Š|
| 5 | L | 78.3 | Confident | 67.4 | Low | 149 Ų | 149 | 153.5 Ų | 153.5 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65 | 145.9 | 177 | -69.2 | 175.1 | 0 | 0 | 0 | 110.9 | E3 F7 | E3-L5 PolarHBondContact O-N 3.32Å; L5-F7 PolarHBondContact O-N 3.45Å |
| 6 | P | 74.9 | Confident | 66.6 | Low | 119 Ų | 119 | 147.9 Ų | 147.9 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 136.3 | 174.7 | -22.5 | 32.4 | 0 | 0 | 0 | 111.4 | N8 | P6-N8 PolarHBondContact O-N 3Š|
| 7 | F | 70.1 | Confident | 66.1 | Low | 161 Ų | 161 | 146.8 Ų | 146.8 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 123.5 | 176.4 | -178.7 | -101 | 0 | 0 | 0 | 109.9 | L5 E9 M12 | L5-F7 PolarHBondContact O-N 3.45Å; F7-E9 HydrophobicContact CE1-CB 3.98Å; F7-M12 HydrophobicContact CE2-CE 4.26Å; F7-M12 HydrophobicContact CZ-CE 4.36Å |
| 8 | N | 73.1 | Confident | 65.6 | Low | 79 Ų | 79 | 148.4 Ų | 148.4 | 42% | 0.422 | 77% | 0.766 | S | S | . | * | | | trans | -111.7 | 102.9 | 175.9 | -174.7 | -8.8 | 0 | 0 | 0 | 109.7 | P6 E10 | P6-N8 PolarHBondContact O-N 3Å; N8-E10 VanDerWaalsContact C-N 3.27Å; N8-E10 PolarHBondContact O-N 3.34Å; N8-E10 WeakPolarHBondContact OD1-CB 3.17Å; N8-E10 PolarHBondContact OD1-N 3.17Å |
| 9 | E | 65.9 | Low | 65.1 | Low | 148 Ų | 148 | 144.2 Ų | 144.2 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -65.4 | -24.5 | 177.9 | 27.5 | -174.8 | 123.9 | 0 | 0 | 113.2 | F7 K11 M12 | F7-E9 HydrophobicContact CE1-CB 3.98Å; E9-K11 VanDerWaalsContact C-N 3.27Å; E9-K11 PolarHBondContact O-N 3.36Å; E9-M12 PolarHBondContact O-N 2.91Å |
| 10 | E | 66.8 | Low | 64.6 | Low | 174 Ų | 174 | 145.5 Ų | 145.5 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -70.9 | -19 | -178.4 | -164.2 | -179.5 | -173.5 | 0 | 0 | 113.4 | N8 | N8-E10 VanDerWaalsContact C-N 3.27Å; N8-E10 PolarHBondContact O-N 3.34Å; N8-E10 WeakPolarHBondContact OD1-CB 3.17Å; N8-E10 PolarHBondContact OD1-N 3.17Å |
| 11 | K | 60.8 | Low | 64.1 | Low | 178 Ų | 178 | 146.3 Ų | 146.3 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -93.1 | 1.5 | 178.3 | -64.8 | -151.1 | -178.9 | -174.7 | 0 | 114.4 | E9 S13 | E9-K11 VanDerWaalsContact C-N 3.27Å; E9-K11 PolarHBondContact O-N 3.36Å; K11-S13 PolarHBondContact O-N 3.28Å |
| 12 | M | 59.6 | Low | 64 | Low | 117 Ų | 117 | 143.6 Ų | 143.6 | 58% | 0.576 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -77.6 | 103.2 | 168.2 | -73.5 | -100.4 | 178.9 | 0 | 0 | 107.4 | F7 E9 H14 | F7-M12 HydrophobicContact CE2-CE 4.26Å; F7-M12 HydrophobicContact CZ-CE 4.36Å; E9-M12 PolarHBondContact O-N 2.91Å; M12-H14 VanDerWaalsContact C-N 3.34Å; M12-H14 PolarHBondContact O-N 2.88Å |
| 13 | S | 59.6 | Low | 63.3 | Low | 104 Ų | 104 | 147.1 Ų | 147.1 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -54.5 | 104.9 | 161.2 | -71 | 0 | 0 | 0 | 0 | 107.3 | K11 Y15 | K11-S13 PolarHBondContact O-N 3.28Å; S13-Y15 VanDerWaalsContact C-N 3.31Å; S13-Y15 PolarHBondContact O-N 3.14Å |
| 14 | H | 60.2 | Low | 62.6 | Low | 168 Ų | 168 | 144.9 Ų | 144.9 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | | | trans | -63.1 | 97.5 | 169.7 | -76 | -47.2 | 0 | 0 | 0 | 107.4 | M12 G16 | M12-H14 VanDerWaalsContact C-N 3.34Å; M12-H14 PolarHBondContact O-N 2.88Å; H14-G16 PolarHBondContact O-N 3.36Å |
| 15 | Y | 55.7 | Low | 61.6 | Low | 228 Ų | 228 | 143 Ų | 143 | 89% | 0.894 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -67.2 | 115.5 | 160.8 | -80.7 | -86.8 | 0 | 0 | 0 | 106.6 | S13 | S13-Y15 VanDerWaalsContact C-N 3.31Å; S13-Y15 PolarHBondContact O-N 3.14Å |
| 16 | G | 54.2 | Low | 60.5 | Low | 65 Ų | 65 | 145.2 Ų | 145.2 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | | | trans | 117.6 | 49.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H14 | H14-G16 PolarHBondContact O-N 3.36Š|
| 17 | N | 58.8 | Low | 59.7 | Low | 129 Ų | 129 | 146 Ų | 146 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | | | trans | -105.6 | 80.7 | 156.7 | 179.3 | 69.3 | 0 | 0 | 0 | 108.3 | | |
| 18 | E | 56 | Low | 59.1 | Low | 175 Ų | 175 | 142.9 Ų | 142.9 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 164.5 | 110.5 | 141 | -87.6 | 152.5 | -149.7 | 0 | 0 | 112 | | |
| 19 | G | 56 | Low | 58.5 | Low | 68 Ų | 68 | 149.3 Ų | 149.3 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 87.5 | 103.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 20 | D | 55.3 | Low | 58.4 | Low | 170 Ų | 170 | 149.1 Ų | 149.1 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | | | trans | 58.1 | 67.5 | 155.7 | -57.5 | -23.2 | 0 | 0 | 0 | 117.1 | | |
| 21 | E | 54.1 | Low | 58.5 | Low | 163 Ų | 163 | 149 Ų | 149 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -117 | 102.4 | 160.4 | -70.8 | -177 | 147.3 | 0 | 0 | 108.9 | H23 | E21-H23 PolarHBondContact O-N 3.12Š|
| 22 | E | 59.5 | Low | 58.8 | Low | 184 Ų | 184 | 147.7 Ų | 147.7 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | | | trans | -43.2 | 116.1 | 159.3 | -80.2 | 177.5 | 153 | 0 | 0 | 108.2 | L24 | E22-L24 VanDerWaalsContact C-N 3.28Å; E22-L24 PolarHBondContact O-N 2.94Å |
| 23 | H | 58 | Low | 58.7 | Low | 187 Ų | 187 | 146 Ų | 146 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | | | trans | -55.7 | 90.2 | 178.4 | -77.4 | -74.8 | 0 | 0 | 0 | 110.5 | E21 S25 | E21-H23 PolarHBondContact O-N 3.12Å; H23-S25 PolarHBondContact O-N 2.98Å |
| 24 | L | 60.3 | Low | 58.7 | Low | 139 Ų | 139 | 147.5 Ų | 147.5 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | | | trans | -67 | 97.9 | 172.1 | -80.3 | 161.5 | 0 | 0 | 0 | 107.7 | E22 F26 | E22-L24 VanDerWaalsContact C-N 3.28Å; E22-L24 PolarHBondContact O-N 2.94Å; L24-F26 PolarHBondContact O-N 2.82Å; L24-F26 VanDerWaalsContact O-N 3.12Å |
| 25 | S | 57.6 | Low | 58.7 | Low | 98 Ų | 98 | 146.6 Ų | 146.6 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | | | trans | -57.6 | 116.1 | 175.6 | -63.7 | 0 | 0 | 0 | 0 | 109.2 | H23 T27 | H23-S25 PolarHBondContact O-N 2.98Å; S25-T27 PolarHBondContact O-N 3.12Å |
| 26 | F | 55 | Low | 58.7 | Low | 195 Ų | 195 | 140.5 Ų | 140.5 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 10.3 | -168.7 | -111 | -95 | 0 | 0 | 0 | 116.3 | L24 | L24-F26 PolarHBondContact O-N 2.82Å; L24-F26 VanDerWaalsContact O-N 3.12Å |
| 27 | T | 56.7 | Low | 58.9 | Low | 136 Ų | 136 | 144.7 Ų | 144.7 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | -4.8 | -174.9 | 60.8 | 0 | 0 | 0 | 0 | 115.2 | S25 | S25-T27 PolarHBondContact O-N 3.12Š|
| 28 | C | 57.6 | Low | 58.8 | Low | 95 Ų | 95 | 146 Ų | 146 | 64% | 0.642 | 75% | 0.753 | S | S | * | * | | | trans | -153.6 | 89.6 | 175.8 | -151.3 | 0 | 0 | 0 | 0 | 112.2 | L30 | C28-L30 PolarHBondContact O-N 2.85Š|
| 29 | R | 60.6 | Low | 58.8 | Low | 214 Ų | 214 | 139.7 Ų | 139.7 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | | | trans | -73.5 | 87.3 | 158.3 | -76.2 | -166.4 | 170.4 | 123.3 | -0 | 108 | Q31 | R29-Q31 PolarHBondContact O-N 3.22Å; R29-Q31 VanDerWaalsContact O-N 3.12Å |
| 30 | L | 63.8 | Low | 59.1 | Low | 144 Ų | 144 | 142.1 Ų | 142.1 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | | | trans | -62.6 | 107.5 | 173.4 | -170.2 | 67.5 | 0 | 0 | 0 | 108 | C28 | C28-L30 PolarHBondContact O-N 2.85Š|
| 31 | Q | 69.4 | Low | 59.4 | Low | 173 Ų | 173 | 138.6 Ų | 138.6 | 81% | 0.808 | 72% | 0.718 | S | S | * | * | | | trans | -66.6 | 140.9 | 176.1 | -70.9 | -178.1 | -17.4 | 0 | 0 | 110.4 | R29 T33 | R29-Q31 PolarHBondContact O-N 3.22Å; R29-Q31 VanDerWaalsContact O-N 3.12Å; Q31-T33 PolarHBondContact O-N 2.83Å |
| 32 | D | 66.1 | Low | 59.6 | Low | 150 Ų | 150 | 138.1 Ų | 138.1 | 80% | 0.802 | 72% | 0.721 | S | S | * | * | | | trans | -51.8 | 127.6 | -179.6 | -69.9 | -49.3 | 0 | 0 | 0 | 112.6 | N34 | D32-N34 PolarHBondContact O-N 3.3Š|
| 33 | T | 59.2 | Low | 59.8 | Low | 82 Ų | 82 | 134.1 Ų | 134.1 | 50% | 0.503 | 70% | 0.701 | S | S | . | * | G | 310 helix | trans | -77.8 | 2 | -168.4 | 52.8 | 0 | 0 | 0 | 0 | 114.5 | Q31 N35 F36 | Q31-T33 PolarHBondContact O-N 2.83Å; T33-N35 VanDerWaalsContact C-N 3.32Å; T33-N35 PolarHBondContact O-N 3.32Å; T33-F36 WeakPolarHBondContact O-CB 3.38Å; T33-F36 PolarHBondContact O-N 2.93Å |
| 34 | N | 59.3 | Low | 60.6 | Low | 134 Ų | 134 | 135.2 Ų | 135.2 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -68.5 | -26.2 | -175.8 | -95.8 | -61 | 0 | 0 | 0 | 114 | D32 F36 | D32-N34 PolarHBondContact O-N 3.3Å; N34-F36 VanDerWaalsContact C-N 3.28Å; N34-F36 PolarHBondContact O-N 3.44Å |
| 35 | N | 58.7 | Low | 61.1 | Low | 150 Ų | 150 | 133.7 Ų | 133.7 | 80% | 0.802 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -82.5 | 1.8 | 171.5 | -85 | 4.5 | 0 | 0 | 0 | 113.5 | T33 | T33-N35 VanDerWaalsContact C-N 3.32Å; T33-N35 PolarHBondContact O-N 3.32Å |
| 36 | F | 56.1 | Low | 61.9 | Low | 99 Ų | 99 | 133.1 Ų | 133.1 | 43% | 0.434 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.4 | -40.3 | 177.9 | -171.1 | -80.7 | 0 | 0 | 0 | 113.3 | T33 N34 K43 | T33-F36 WeakPolarHBondContact O-CB 3.38Å; T33-F36 PolarHBondContact O-N 2.93Å; N34-F36 VanDerWaalsContact C-N 3.28Å; N34-F36 PolarHBondContact O-N 3.44Å; F36-K43 HydrophobicContact CD2-CD 4.19Å; F36-K43 HydrophobicContact CD2-CG 4.4Å; F36-K43 HydrophobicContact CE2-CD 3.94Å; F36-K43 HydrophobicContact CE2-CG 3.66Å; F36-K43 HydrophobicContact CZ-CG 4.12Å |
| 37 | F | 59.7 | Low | 63.2 | Low | 153 Ų | 153 | 130.9 Ų | 130.9 | 67% | 0.671 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -89.6 | -15.6 | -166 | -68.7 | -81.6 | 0 | 0 | 0 | 114.9 | G39 | F37-G39 PolarHBondContact O-N 3.02Š|
| 38 | N | 56.1 | Low | 64 | Low | 158 Ų | 158 | 131.5 Ų | 131.5 | 85% | 0.845 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -97.6 | 42.2 | -172.4 | -72.6 | 15.4 | 0 | 0 | 0 | 115 | | |
| 39 | G | 56.5 | Low | 64.9 | Low | 41 Ų | 41 | 129.2 Ų | 129.2 | 42% | 0.423 | 67% | 0.67 | S | S | . | * | S | Bend | trans | 152.3 | 96.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F37 Q41 | F37-G39 PolarHBondContact O-N 3.02Å; G39-Q41 WeakPolarHBondContact O-CG 3.16Å; G39-Q41 PolarHBondContact O-N 3.31Å; G39-Q41 VanDerWaalsContact O-N 3.14Å; G39-Q41 PolarHBondContact O-NE2 3.37Å |
| 40 | S | 61.6 | Low | 65.5 | Low | 120 Ų | 120 | 124.7 Ų | 124.7 | 84% | 0.839 | 66% | 0.658 | S | S | * | * | | | trans | 21.6 | 77.5 | 160.1 | 175.2 | 0 | 0 | 0 | 0 | 115.1 | N42 | S40-N42 PolarHBondContact O-N 3.46Š|
| 41 | Q | 61.6 | Low | 66 | Low | 96 Ų | 96 | 122.3 Ų | 122.3 | 45% | 0.449 | 65% | 0.645 | S | S | . | * | | | trans | -91.3 | 96.9 | -177.4 | -61.9 | -76.5 | -61.9 | 0 | 0 | 110.4 | G39 K43 | G39-Q41 WeakPolarHBondContact O-CG 3.16Å; G39-Q41 PolarHBondContact O-N 3.31Å; G39-Q41 VanDerWaalsContact O-N 3.14Å; G39-Q41 PolarHBondContact O-NE2 3.37Å; Q41-K43 HydrophobicContact CB-CD 3.51Å; Q41-K43 VanDerWaalsContact CB-CE 3.41Å; Q41-K43 HydrophobicContact CB-CG 3.55Å; Q41-K43 VanDerWaalsContact CD-NZ 3.32Å; Q41-K43 HydrophobicContact CG-CD 3.97Å; Q41-K43 HydrophobicContact CG-CG 4.48Å; Q41-K43 PolarHBondContact O-N 3.5Å; Q41-K43 VanDerWaalsContact OE1-CE 3.24Å |
| 42 | N | 57.9 | Low | 66.2 | Low | 153 Ų | 153 | 117.6 Ų | 117.6 | 82% | 0.818 | 64% | 0.643 | S | S | * | * | | | trans | -63.7 | 81.4 | 145.4 | -81.4 | -61.6 | 0 | 0 | 0 | 106.8 | S40 R44 | S40-N42 PolarHBondContact O-N 3.46Å; N42-R44 PolarHBondContact O-N 2.94Å |
| 43 | K | 64.1 | Low | 66.3 | Low | 99 Ų | 99 | 120.2 Ų | 120.2 | 43% | 0.43 | 64% | 0.642 | S | S | . | * | | | trans | -65 | -2.1 | -174.7 | -77.5 | -61 | -171.5 | -172 | 0 | 114.9 | F36 Q41 P45 | F36-K43 HydrophobicContact CD2-CD 4.19Å; F36-K43 HydrophobicContact CD2-CG 4.4Å; F36-K43 HydrophobicContact CE2-CD 3.94Å; F36-K43 HydrophobicContact CE2-CG 3.66Å; F36-K43 HydrophobicContact CZ-CG 4.12Å; Q41-K43 HydrophobicContact CB-CD 3.51Å; Q41-K43 VanDerWaalsContact CB-CE 3.41Å; Q41-K43 HydrophobicContact CB-CG 3.55Å; Q41-K43 VanDerWaalsContact CD-NZ 3.32Å; Q41-K43 HydrophobicContact CG-CD 3.97Å; Q41-K43 HydrophobicContact CG-CG 4.48Å; Q41-K43 PolarHBondContact O-N 3.5Å; Q41-K43 VanDerWaalsContact OE1-CE 3.24Å; K43-P45 WeakPolarHBondContact O-CD 3.45Å |
| 44 | R | 74.4 | Confident | 66.7 | Low | 211 Ų | 211 | 121.2 Ų | 121.2 | 80% | 0.796 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -80.9 | 125.3 | 175.9 | -133.6 | 176.3 | -172.8 | 96.2 | 1.4 | 107.7 | N42 | N42-R44 PolarHBondContact O-N 2.94Š|
| 45 | P | 72.1 | Confident | 67.1 | Low | 107 Ų | 107 | 124 Ų | 124 | 70% | 0.695 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 135.5 | 166.2 | -24.9 | 33.6 | 0 | 0 | 0 | 108.8 | K43 K47 | K43-P45 WeakPolarHBondContact O-CD 3.45Å; P45-K47 PolarHBondContact O-N 2.72Å |
| 46 | P | 73.6 | Confident | 67.6 | Low | 86 Ų | 86 | 128 Ų | 128 | 56% | 0.558 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 136.7 | -177.7 | 23 | -32.9 | 0 | 0 | 0 | 109.4 | Q50 I51 | P46-Q50 HydrophobicContact CB-CB 4.42Å; P46-I51 HydrophobicContact CB-CG2 3.91Å; P46-I51 HydrophobicContact CG-CG2 3.73Å |
| 47 | K | 81.7 | Confident | 68.2 | Low | 147 Ų | 147 | 129.1 Ų | 129.1 | 64% | 0.639 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 151.4 | 178.5 | -66.2 | -179.8 | 177.1 | 179 | 0 | 109.3 | P45 G49 Q50 I51 | P45-K47 PolarHBondContact O-N 2.72Å; K47-G49 PolarHBondContact O-N 3.46Å; K47-G49 VanDerWaalsContact O-N 3.13Å; K47-Q50 HydrophobicContact CB-CG 4.1Å; K47-Q50 WeakPolarHBondContact O-CA 3.39Å; K47-Q50 VanDerWaalsContact O-CB 3.32Å; K47-Q50 WeakPolarHBondContact O-CB 3.12Å; K47-Q50 PolarHBondContact O-N 3.3Å; K47-I51 PolarHBondContact O-N 2.76Å |
| 48 | L | 74.1 | Confident | 68.7 | Low | 149 Ų | 149 | 127.1 Ų | 127.1 | 78% | 0.78 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | -38.7 | 177.2 | -175.6 | 58.5 | 0 | 0 | 0 | 112.3 | Q50 I51 | L48-Q50 PolarHBondContact O-N 3.25Å; L48-I51 HydrophobicContact CD1-CD1 3.63Å; L48-I51 HydrophobicContact CD1-CG1 4.05Å; L48-I51 WeakPolarHBondContact O-CG1 3.32Å; L48-I51 PolarHBondContact O-N 3.13Å |
| 49 | G | 77.3 | Confident | 69.5 | Low | 48 Ų | 48 | 125.4 Ų | 125.4 | 50% | 0.495 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.8 | -0.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | K47 R53 | K47-G49 PolarHBondContact O-N 3.46Å; K47-G49 VanDerWaalsContact O-N 3.13Å; G49-R53 VanDerWaalsContact O-CZ 3.24Å; G49-R53 PolarHBondContact O-NE 3.14Å; G49-R53 PolarHBondContact O-NH2 3.19Å |
| 50 | Q | 72.6 | Confident | 69.9 | Low | 119 Ų | 119 | 132 Ų | 132 | 56% | 0.556 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -23.4 | 175.4 | -65.8 | 177.3 | -61.7 | 0 | 0 | 112.3 | P46 K47 L48 | P46-Q50 HydrophobicContact CB-CB 4.42Å; K47-Q50 HydrophobicContact CB-CG 4.1Å; K47-Q50 WeakPolarHBondContact O-CA 3.39Å; K47-Q50 VanDerWaalsContact O-CB 3.32Å; K47-Q50 WeakPolarHBondContact O-CB 3.12Å; K47-Q50 PolarHBondContact O-N 3.3Å; L48-Q50 PolarHBondContact O-N 3.25Å |
| 51 | I | 73.9 | Confident | 69.9 | Low | 93 Ų | 93 | 131.7 Ų | 131.7 | 48% | 0.477 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.8 | 142.8 | 173.5 | 59.6 | 165.6 | 0 | 0 | 0 | 110.1 | P46 K47 L48 R53 | P46-I51 HydrophobicContact CB-CG2 3.91Å; P46-I51 HydrophobicContact CG-CG2 3.73Å; K47-I51 PolarHBondContact O-N 2.76Å; L48-I51 HydrophobicContact CD1-CD1 3.63Å; L48-I51 HydrophobicContact CD1-CG1 4.05Å; L48-I51 WeakPolarHBondContact O-CG1 3.32Å; L48-I51 PolarHBondContact O-N 3.13Å; I51-R53 PolarHBondContact O-N 3.44Å |
| 52 | G | 72.9 | Confident | 69.9 | Low | 75 Ų | 75 | 137.2 Ų | 137.2 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.1 | 7.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | S54 | G52-S54 VanDerWaalsContact C-N 3.31Š|
| 53 | R | 70.1 | Confident | 70 | Confident | 205 Ų | 205 | 136.6 Ų | 136.6 | 77% | 0.774 | 70% | 0.697 | S | S | * | * | | | trans | -76.7 | -17.9 | 171.4 | -66.5 | -167.7 | -175.5 | -153.3 | -0.1 | 113.7 | G49 I51 | G49-R53 VanDerWaalsContact O-CZ 3.24Å; G49-R53 PolarHBondContact O-NE 3.14Å; G49-R53 PolarHBondContact O-NH2 3.19Å; I51-R53 PolarHBondContact O-N 3.44Å |
| 54 | S | 67.4 | Low | 69.7 | Low | 103 Ų | 103 | 133.4 Ų | 133.4 | 72% | 0.72 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -86.4 | 116.7 | 177.7 | 55 | 0 | 0 | 0 | 0 | 109.9 | G52 | G52-S54 VanDerWaalsContact C-N 3.31Š|
| 55 | K | 66.9 | Low | 68.8 | Low | 192 Ų | 192 | 129.5 Ų | 129.5 | 84% | 0.835 | 69% | 0.687 | S | S | * | * | | | trans | 40.2 | 116.5 | 161.9 | -159.6 | 174.7 | -177.8 | -176.5 | 0 | 116.3 | V57 | K55-V57 PolarHBondContact O-N 3.44Å; K55-V57 VanDerWaalsContact O-N 3.14Å |
| 56 | R | 68.3 | Low | 68 | Low | 234 Ų | 234 | 131.6 Ų | 131.6 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | | | trans | -48.5 | 123.8 | 169.4 | -67.5 | -166.3 | -71.3 | -149 | 0.7 | 109.3 | V58 | R56-V58 PolarHBondContact O-N 3.44Š|
| 57 | V | 69.6 | Low | 67.1 | Low | 122 Ų | 122 | 131.4 Ų | 131.4 | 74% | 0.739 | 69% | 0.694 | S | S | * | * | | | trans | -66.2 | 115.3 | 170.7 | -177.5 | 0 | 0 | 0 | 0 | 105.8 | K55 I59 | K55-V57 PolarHBondContact O-N 3.44Å; K55-V57 VanDerWaalsContact O-N 3.14Å; V57-I59 HydrophobicContact CB-CG1 4.41Å; V57-I59 HydrophobicContact CG1-CG1 3.81Å; V57-I59 PolarHBondContact O-N 2.92Å |
| 58 | V | 70.5 | Confident | 65.9 | Low | 112 Ų | 112 | 130.6 Ų | 130.6 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | | | trans | -76.3 | 103 | 168 | -177.8 | 0 | 0 | 0 | 0 | 104.7 | R56 E60 | R56-V58 PolarHBondContact O-N 3.44Å; V58-E60 HydrophobicContact CG1-CG 3.9Å; V58-E60 PolarHBondContact O-N 3.2Å |
| 59 | I | 72.9 | Confident | 64.9 | Low | 122 Ų | 122 | 131 Ų | 131 | 63% | 0.626 | 69% | 0.691 | S | S | * | * | | | trans | -88.2 | 99 | 171.4 | -55.2 | 174.3 | 0 | 0 | 0 | 104.5 | V57 D61 | V57-I59 HydrophobicContact CB-CG1 4.41Å; V57-I59 HydrophobicContact CG1-CG1 3.81Å; V57-I59 PolarHBondContact O-N 2.92Å; I59-D61 HydrophobicContact CG2-CB 4.31Å; I59-D61 PolarHBondContact O-N 3.44Å |
| 60 | E | 63.5 | Low | 63.8 | Low | 179 Ų | 179 | 134.7 Ų | 134.7 | 84% | 0.836 | 70% | 0.7 | S | S | * | * | | | trans | -75 | 70.5 | 169.5 | -63.1 | -176.7 | 167.9 | 0 | 0 | 108.1 | V58 | V58-E60 HydrophobicContact CG1-CG 3.9Å; V58-E60 PolarHBondContact O-N 3.2Å |
| 61 | D | 63.2 | Low | 62.9 | Low | 114 Ų | 114 | 132.3 Ų | 132.3 | 61% | 0.61 | 71% | 0.707 | S | S | * | * | | | trans | -82.5 | 114.3 | 160 | -90.8 | -22.4 | 0 | 0 | 0 | 106.6 | I59 N63 G64 | I59-D61 HydrophobicContact CG2-CB 4.31Å; I59-D61 PolarHBondContact O-N 3.44Å; D61-N63 PolarHBondContact O-N 2.97Å; D61-G64 PolarHBondContact O-N 2.88Å |
| 62 | E | 61.4 | Low | 61.9 | Low | 211 Ų | 211 | 133.8 Ų | 133.8 | 99% | 0.986 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -7.9 | 174.3 | -164.1 | -178.1 | 137.3 | 0 | 0 | 112.8 | | |
| 63 | N | 59.4 | Low | 61 | Low | 140 Ų | 140 | 137.4 Ų | 137.4 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 14.7 | 178.5 | -156.9 | 55.9 | 0 | 0 | 0 | 113.9 | D61 D65 | D61-N63 PolarHBondContact O-N 2.97Å; N63-D65 VanDerWaalsContact C-N 3.31Å; N63-D65 PolarHBondContact O-N 3.45Å |
| 64 | G | 58.2 | Low | 60.2 | Low | 32 Ų | 32 | 137 Ų | 137 | 33% | 0.33 | 72% | 0.721 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.3 | 3.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117 | D61 | D61-G64 PolarHBondContact O-N 2.88Š|
| 65 | D | 56.3 | Low | 59.1 | Low | 129 Ų | 129 | 138.4 Ų | 138.4 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -11.4 | -174.7 | -141.6 | 12.4 | 0 | 0 | 0 | 113.5 | N63 | N63-D65 VanDerWaalsContact C-N 3.31Å; N63-D65 PolarHBondContact O-N 3.45Å |
| 66 | E | 55.1 | Low | 58.2 | Low | 151 Ų | 151 | 135.1 Ų | 135.1 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -87.4 | -28.2 | 174.9 | -80.1 | -143.1 | 148.7 | 0 | 0 | 113.9 | L68 K69 | E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 3.42Å; E66-K69 PolarHBondContact O-N 3.28Å |
| 67 | A | 53.9 | Low | 57.2 | Low | 83 Ų | 83 | 127.6 Ų | 127.6 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -23.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 68 | L | 55.5 | Low | 56 | Low | 129 Ų | 129 | 131.1 Ų | 131.1 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -17.6 | 178.5 | -73.2 | 169.7 | 0 | 0 | 0 | 113.6 | E66 T72 | E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 3.42Å; L68-T72 PolarHBondContact O-OG1 3.43Å |
| 69 | K | 54.2 | Low | 54.5 | Low | 158 Ų | 158 | 134 Ų | 134 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -77.5 | -27.8 | 179.7 | -74.2 | -176.5 | -179.7 | 175.5 | 0 | 113.3 | E66 G71 | E66-K69 PolarHBondContact O-N 3.28Å; K69-G71 VanDerWaalsContact C-N 3.34Å; K69-G71 PolarHBondContact O-N 3.47Å |
| 70 | N | 53.3 | Low | 53.6 | Low | 126 Ų | 126 | 134.6 Ų | 134.6 | 67% | 0.674 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -88.2 | 1 | -173.3 | -60.1 | -16.8 | 0 | 0 | 0 | 114.1 | | |
| 71 | G | 54.6 | Low | 53 | Low | 69 Ų | 69 | 132.2 Ų | 132.2 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -104.2 | -8.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K69 | K69-G71 VanDerWaalsContact C-N 3.34Å; K69-G71 PolarHBondContact O-N 3.47Å |
| 72 | T | 51.7 | Low | 52.5 | Low | 124 Ų | 124 | 133.2 Ų | 133.2 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | | | trans | -111.5 | 30.5 | -166.5 | -30.7 | 0 | 0 | 0 | 0 | 113.8 | L68 | L68-T72 PolarHBondContact O-OG1 3.43Š|
| 73 | E | 54 | Low | 52 | Low | 150 Ų | 150 | 128.6 Ų | 128.6 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -124.4 | 65.1 | 177 | 53.7 | -176.1 | 151.3 | 0 | 0 | 112.3 | | |
| 74 | K | 53.7 | Low | 51.5 | Low | 196 Ų | 196 | 127.9 Ų | 127.9 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -139.2 | 109.4 | 149.2 | -70.9 | -159.2 | 178.2 | -176.2 | 0 | 112.8 | | |
| 75 | T | 44.3 | Very low | 51 | Low | 133 Ų | 133 | 134.3 Ų | 134.3 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | trans | 67.7 | 101.3 | 150.1 | 56.5 | 0 | 0 | 0 | 0 | 119 | G77 | T75-G77 PolarHBondContact O-N 3.29Š|
| 76 | S | 49 | Very low | 50.7 | Low | 123 Ų | 123 | 134.7 Ų | 134.7 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -53.8 | 112.3 | 145.2 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 77 | G | 47.4 | Very low | 50.3 | Low | 76 Ų | 76 | 133.5 Ų | 133.5 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | trans | -79.7 | 113.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | T75 | T75-G77 PolarHBondContact O-N 3.29Š|
| 78 | E | 43.1 | Very low | 50 | Low | 196 Ų | 196 | 137.7 Ų | 137.7 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | | | trans | -59.6 | 153.4 | 169.5 | -163.9 | 167.5 | 140.8 | 0 | 0 | 110.8 | | |
| 79 | A | 39.7 | Very low | 49.5 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 100% | 1.421 | 84% | 0.835 | S | S | * | * | | | trans | -66.8 | 0 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |