| 1 | M | 48.8 | Very low | 55.7 | Low | 248 Ų | 248 | 123.3 Ų | 123.3 | 100% | 1.222 | 78% | 0.78 | S | S | * | * | | | | 0 | 125.3 | 0 | -72.3 | 93.2 | 178.4 | 0 | 0 | 107.7 | | |
| 2 | G | 49.8 | Very low | 56.1 | Low | 77 Ų | 77 | 129.5 Ų | 129.5 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | -91.7 | 142.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G4 | G2-G4 PolarHBondContact O-N 3.09Š|
| 3 | C | 65.8 | Low | 56.2 | Low | 142 Ų | 142 | 127.3 Ų | 127.3 | 96% | 0.959 | 78% | 0.781 | S | S | * | * | | | trans | -70.4 | 86.1 | 150.6 | -70.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 4 | G | 49.1 | Very low | 56.5 | Low | 50 Ų | 50 | 131 Ų | 131 | 52% | 0.515 | 79% | 0.785 | S | S | . | * | | | trans | -62.5 | 151.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | G2 S6 G7 | G2-G4 PolarHBondContact O-N 3.09Å; G4-S6 PolarHBondContact O-N 2.92Å; G4-G7 PolarHBondContact O-N 3.08Å; G4-G7 VanDerWaalsContact O-N 3.12Å |
| 5 | A | 58.7 | Low | 56.8 | Low | 101 Ų | 101 | 131.2 Ų | 131.2 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | 4.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 6 | S | 57.5 | Low | 57 | Low | 120 Ų | 120 | 128.3 Ų | 128.3 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -3.3 | 174.7 | -50.3 | 0 | 0 | 0 | 0 | 113.8 | G4 | G4-S6 PolarHBondContact O-N 2.92Š|
| 7 | G | 53.2 | Low | 56.8 | Low | 34 Ų | 34 | 131.2 Ų | 131.2 | 35% | 0.351 | 78% | 0.784 | S | S | . | * | | | trans | -90.1 | -3.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | G4 K9 D10 | G4-G7 PolarHBondContact O-N 3.08Å; G4-G7 VanDerWaalsContact O-N 3.12Å; G7-K9 PolarHBondContact O-N 2.95Å; G7-D10 PolarHBondContact O-N 3.01Å |
| 8 | L | 54.6 | Low | 56.8 | Low | 151 Ų | 151 | 129.4 Ų | 129.4 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -22.6 | -171.3 | -84.5 | 168.2 | 0 | 0 | 0 | 114.4 | | |
| 9 | K | 59 | Low | 56.8 | Low | 189 Ų | 189 | 129.5 Ų | 129.5 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -18.3 | -179.8 | -67.6 | -173.1 | 179.6 | -174.2 | 0 | 113.9 | G7 | G7-K9 PolarHBondContact O-N 2.95Š|
| 10 | D | 59.3 | Low | 56.8 | Low | 138 Ų | 138 | 128.6 Ų | 128.6 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | trans | -107.1 | 10.5 | -173.5 | -61.7 | -44 | 0 | 0 | 0 | 113.2 | G7 K12 | G7-D10 PolarHBondContact O-N 3.01Å; D10-K12 PolarHBondContact O-N 3.16Å |
| 11 | C | 56.5 | Low | 56.8 | Low | 106 Ų | 106 | 128.9 Ų | 128.9 | 72% | 0.716 | 77% | 0.769 | S | S | * | * | | | trans | -72.1 | 39.8 | 167.8 | -72.7 | 0 | 0 | 0 | 0 | 113 | S13 | C11-S13 PolarHBondContact O-N 3.13Å; C11-S13 VanDerWaalsContact O-N 3.09Å |
| 12 | K | 61.3 | Low | 57.1 | Low | 198 Ų | 198 | 119.8 Ų | 119.8 | 86% | 0.861 | 73% | 0.729 | S | S | * | * | | | trans | -81.8 | 70.3 | 164.8 | -69.7 | -170.6 | 177.8 | -179.3 | 0 | 108.6 | D10 | D10-K12 PolarHBondContact O-N 3.16Š|
| 13 | S | 57.5 | Low | 57.8 | Low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | trans | -120.4 | 99.3 | 171.6 | -166.2 | 0 | 0 | 0 | 0 | 108.3 | C11 | C11-S13 PolarHBondContact O-N 3.13Å; C11-S13 VanDerWaalsContact O-N 3.09Å |
| 14 | E | 60.4 | Low | 57.3 | Low | 179 Ų | 179 | 122.3 Ų | 122.3 | 84% | 0.836 | 72% | 0.718 | S | S | * | * | | | trans | 56.4 | 89.1 | 150.3 | -144.8 | 157.8 | -178.7 | 0 | 0 | 116.5 | A16 | E14-A16 VanDerWaalsContact C-N 3.32Å; E14-A16 PolarHBondContact O-N 2.94Å |
| 15 | V | 59.8 | Low | 57.7 | Low | 134 Ų | 134 | 127.1 Ų | 127.1 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | | | trans | -64.4 | 99.7 | 155 | 176.8 | 0 | 0 | 0 | 0 | 106.3 | Q17 | V15-Q17 PolarHBondContact O-N 3.24Š|
| 16 | A | 60.9 | Low | 57.6 | Low | 85 Ų | 85 | 129.6 Ų | 129.6 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | | | trans | -62 | 101.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | E14 S18 | E14-A16 VanDerWaalsContact C-N 3.32Å; E14-A16 PolarHBondContact O-N 2.94Å; A16-S18 PolarHBondContact O-N 3.08Å |
| 17 | Q | 53.5 | Low | 58.1 | Low | 177 Ų | 177 | 127.8 Ų | 127.8 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | | | trans | -71.5 | 80.9 | 162.3 | -70.9 | -172.3 | -24.9 | 0 | 0 | 107.4 | V15 T19 | V15-Q17 PolarHBondContact O-N 3.24Å; Q17-T19 PolarHBondContact O-N 3.17Å |
| 18 | S | 57.5 | Low | 59 | Low | 100 Ų | 100 | 135 Ų | 135 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | trans | -82.8 | 91.9 | 165.7 | -172.5 | 0 | 0 | 0 | 0 | 107.4 | A16 D20 | A16-S18 PolarHBondContact O-N 3.08Å; S18-D20 PolarHBondContact O-N 3.18Å |
| 19 | T | 55.8 | Low | 59.7 | Low | 131 Ų | 131 | 135 Ų | 135 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | trans | -69.4 | 78.4 | 161.2 | -49.7 | 0 | 0 | 0 | 0 | 107.2 | Q17 | Q17-T19 PolarHBondContact O-N 3.17Š|
| 20 | D | 56.3 | Low | 60.5 | Low | 110 Ų | 110 | 134.8 Ų | 134.8 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | | | trans | -105.3 | 81.7 | 164.5 | -159.5 | 37.1 | 0 | 0 | 0 | 107.8 | S18 S22 | S18-D20 PolarHBondContact O-N 3.18Å; D20-S22 VanDerWaalsContact CG-OG 3.3Å; D20-S22 PolarHBondContact O-N 3.12Å; D20-S22 PolarHBondContact OD2-OG 2.99Å |
| 21 | D | 58.1 | Low | 61.3 | Low | 135 Ų | 135 | 134.4 Ų | 134.4 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | trans | -77.3 | 59.2 | 166.4 | -174.1 | 18.4 | 0 | 0 | 0 | 108.6 | H23 | D21-H23 VanDerWaalsContact C-N 3.32Å; D21-H23 IonicContact OD1-CD2 3.36Å; D21-H23 PolarHBondContact OD1-CD2 3.17Å |
| 22 | S | 55.5 | Low | 62.4 | Low | 57 Ų | 57 | 137.1 Ų | 137.1 | 40% | 0.399 | 75% | 0.754 | S | S | . | * | | | trans | -100.4 | 46.2 | 173.9 | 66.9 | 0 | 0 | 0 | 0 | 109.9 | D20 S24 | D20-S22 VanDerWaalsContact CG-OG 3.3Å; D20-S22 PolarHBondContact O-N 3.12Å; D20-S22 PolarHBondContact OD2-OG 2.99Å; S22-S24 PolarHBondContact O-N 2.71Å |
| 23 | H | 62.7 | Low | 63.2 | Low | 165 Ų | 165 | 135.4 Ų | 135.4 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 28.6 | 174.9 | -71.8 | -57.8 | 0 | 0 | 0 | 113.8 | D21 | D21-H23 VanDerWaalsContact C-N 3.32Å; D21-H23 IonicContact OD1-CD2 3.36Å; D21-H23 PolarHBondContact OD1-CD2 3.17Å |
| 24 | S | 56.4 | Low | 64.1 | Low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 28.6 | 177.9 | -59.9 | 0 | 0 | 0 | 0 | 113.4 | S22 N26 | S22-S24 PolarHBondContact O-N 2.71Å; S24-N26 PolarHBondContact O-N 3.03Å |
| 25 | N | 56.4 | Low | 65 | Low | 151 Ų | 151 | 137.9 Ų | 137.9 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | | | trans | -72.9 | 64.6 | 160.2 | -81 | -13 | 0 | 0 | 0 | 110.1 | A27 | N25-A27 PolarHBondContact O-N 2.94Š|
| 26 | N | 58.3 | Low | 65.6 | Low | 152 Ų | 152 | 140.8 Ų | 140.8 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | trans | -72.1 | 76.7 | 151.2 | -78.2 | 4 | 0 | 0 | 0 | 105.9 | S24 E28 | S24-N26 PolarHBondContact O-N 3.03Å; N26-E28 PolarHBondContact O-N 2.86Å |
| 27 | A | 67.9 | Low | 66 | Low | 82 Ų | 82 | 142.2 Ų | 142.2 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | trans | -56.2 | 115.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 106 | N25 I29 | N25-A27 PolarHBondContact O-N 2.94Å; A27-I29 PolarHBondContact O-N 2.72Å |
| 28 | E | 71.8 | Confident | 66.7 | Low | 186 Ų | 186 | 140.4 Ų | 140.4 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | | | trans | -53.7 | 116.9 | 173.2 | -70.9 | -179.5 | 162.5 | 0 | 0 | 107.6 | N26 E30 | N26-E28 PolarHBondContact O-N 2.86Å; E28-E30 PolarHBondContact O-N 3.47Å |
| 29 | I | 68.7 | Low | 67.2 | Low | 150 Ų | 150 | 140.2 Ų | 140.2 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | | | trans | -81.6 | 105 | 171 | -60.2 | 172.8 | 0 | 0 | 0 | 105.2 | A27 V31 | A27-I29 PolarHBondContact O-N 2.72Å; I29-V31 PolarHBondContact O-N 3.05Å |
| 30 | E | 75.5 | Confident | 67.9 | Low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | | | trans | -64.2 | 113.9 | 165.1 | -73 | -172.5 | 158.9 | 0 | 0 | 108 | E28 E32 | E28-E30 PolarHBondContact O-N 3.47Å; E30-E32 PolarHBondContact O-N 3.07Å |
| 31 | V | 75.7 | Confident | 68.3 | Low | 130 Ų | 130 | 143.1 Ų | 143.1 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | | | trans | -82.9 | 106.2 | 172.9 | -178.6 | 0 | 0 | 0 | 0 | 107.1 | I29 E33 | I29-V31 PolarHBondContact O-N 3.05Å; V31-E33 PolarHBondContact O-N 3.02Å |
| 32 | E | 80.4 | Confident | 68.6 | Low | 163 Ų | 163 | 142.6 Ų | 142.6 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | | | trans | -70.3 | 114 | 169.8 | -166.9 | 168.5 | -170.7 | 0 | 0 | 108.7 | E30 H34 | E30-E32 PolarHBondContact O-N 3.07Å; E32-H34 PolarHBondContact O-CD2 3.15Å; E32-H34 VanDerWaalsContact O-CD2 3.32Å; E32-H34 PolarHBondContact O-N 3.37Å |
| 33 | E | 79.3 | Confident | 69.1 | Low | 162 Ų | 162 | 145.8 Ų | 145.8 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | | | trans | -74.3 | 107.9 | 176.8 | -172.2 | -173.7 | 113.7 | 0 | 0 | 109.4 | V31 K35 | V31-E33 PolarHBondContact O-N 3.02Å; E33-K35 PolarHBondContact O-N 3.18Å |
| 34 | H | 76.1 | Confident | 69.5 | Low | 160 Ų | 160 | 142.5 Ų | 142.5 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | | | trans | -78.7 | 113.8 | 174.4 | -69.2 | -160.3 | 0 | 0 | 0 | 109.1 | E32 E36 | E32-H34 PolarHBondContact O-CD2 3.15Å; E32-H34 VanDerWaalsContact O-CD2 3.32Å; E32-H34 PolarHBondContact O-N 3.37Å; H34-E36 PolarHBondContact O-N 3.09Å |
| 35 | K | 78.5 | Confident | 70.3 | Confident | 172 Ų | 172 | 146.6 Ų | 146.6 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | -69.1 | 126.2 | 170.8 | -66.3 | -172.8 | 179.3 | -176.9 | 0 | 109.4 | E33 T37 | E33-K35 PolarHBondContact O-N 3.18Å; K35-T37 PolarHBondContact O-N 2.82Å; K35-T37 VanDerWaalsContact O-N 3.09Å |
| 36 | E | 72.5 | Confident | 70.9 | Confident | 196 Ų | 196 | 144.1 Ų | 144.1 | 92% | 0.916 | 75% | 0.752 | S | S | * | * | | | trans | -58.9 | 115.4 | 172.8 | -156.4 | 173.6 | 164.8 | 0 | 0 | 108.5 | H34 D38 | H34-E36 PolarHBondContact O-N 3.09Å; E36-D38 PolarHBondContact O-N 2.83Å |
| 37 | T | 68.5 | Low | 71.4 | Confident | 114 Ų | 114 | 139.4 Ų | 139.4 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | | | trans | -88.1 | 104.9 | 178.2 | -57.8 | 0 | 0 | 0 | 0 | 107.3 | K35 T39 | K35-T37 PolarHBondContact O-N 2.82Å; K35-T37 VanDerWaalsContact O-N 3.09Å; T37-T39 VanDerWaalsContact C-N 3.29Å; T37-T39 HydrophobicContact CG2-CG2 4.19Å; T37-T39 PolarHBondContact O-N 2.75Å |
| 38 | D | 69.2 | Low | 71.5 | Confident | 139 Ų | 139 | 140.7 Ų | 140.7 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | | | trans | -69.9 | 87.4 | 178 | -147.5 | -17 | 0 | 0 | 0 | 109.4 | E36 N40 | E36-D38 PolarHBondContact O-N 2.83Å; D38-N40 VanDerWaalsContact C-N 3.33Å; D38-N40 PolarHBondContact O-N 3.03Å |
| 39 | T | 67.4 | Low | 71.4 | Confident | 96 Ų | 96 | 140.7 Ų | 140.7 | 59% | 0.589 | 74% | 0.735 | S | S | * | * | | | trans | -78.7 | 86.7 | 176.9 | 48.4 | 0 | 0 | 0 | 0 | 109.2 | T37 H41 | T37-T39 VanDerWaalsContact C-N 3.29Å; T37-T39 HydrophobicContact CG2-CG2 4.19Å; T37-T39 PolarHBondContact O-N 2.75Å; T39-H41 PolarHBondContact O-N 3.06Å; T39-H41 PolarHBondContact O-ND1 3.02Å |
| 40 | N | 70.8 | Confident | 71.4 | Confident | 133 Ų | 133 | 139.2 Ų | 139.2 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | | | trans | -56.2 | 101.6 | 165.5 | -73.8 | -67.6 | 0 | 0 | 0 | 108.9 | D38 T42 | D38-N40 VanDerWaalsContact C-N 3.33Å; D38-N40 PolarHBondContact O-N 3.03Å; N40-T42 PolarHBondContact O-N 2.89Å |
| 41 | H | 64.3 | Low | 71 | Confident | 169 Ų | 169 | 135.5 Ų | 135.5 | 78% | 0.782 | 71% | 0.711 | S | S | * | * | | | trans | -67.4 | 102.5 | 171.2 | -87.7 | 45 | 0 | 0 | 0 | 107.9 | T39 V43 | T39-H41 PolarHBondContact O-N 3.06Å; T39-H41 PolarHBondContact O-ND1 3.02Å; H41-V43 PolarHBondContact O-N 3.2Å |
| 42 | T | 63.7 | Low | 70.5 | Confident | 124 Ų | 124 | 136.5 Ų | 136.5 | 76% | 0.761 | 71% | 0.711 | S | S | * | * | | | trans | -77.5 | 110.3 | 169.7 | -55.2 | 0 | 0 | 0 | 0 | 107.1 | N40 P44 | N40-T42 PolarHBondContact O-N 2.89Å; T42-P44 VanDerWaalsContact O-CD 3.3Å; T42-P44 WeakPolarHBondContact O-CD 3.32Å |
| 43 | V | 68 | Low | 69.7 | Low | 124 Ų | 124 | 133.9 Ų | 133.9 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | | | trans | -64.5 | 119.5 | 167.8 | -179 | 0 | 0 | 0 | 0 | 106.5 | H41 E45 | H41-V43 PolarHBondContact O-N 3.2Å; V43-E45 PolarHBondContact O-N 3.18Å |
| 44 | P | 69.9 | Low | 68.9 | Low | 97 Ų | 97 | 132 Ų | 132 | 63% | 0.63 | 71% | 0.708 | S | S | * | * | | | trans | -63.6 | 122.1 | 176.4 | -16 | 29.4 | 0 | 0 | 0 | 108.5 | T42 L46 | T42-P44 VanDerWaalsContact O-CD 3.3Å; T42-P44 WeakPolarHBondContact O-CD 3.32Å; P44-L46 PolarHBondContact O-N 2.99Å; P44-L46 VanDerWaalsContact O-N 3.08Å |
| 45 | E | 73.1 | Confident | 68 | Low | 193 Ų | 193 | 128.3 Ų | 128.3 | 90% | 0.902 | 70% | 0.7 | S | S | * | * | | | trans | -64.8 | 109.8 | 164.9 | -84.4 | -172.6 | 143.7 | 0 | 0 | 107.6 | V43 | V43-E45 PolarHBondContact O-N 3.18Š|
| 46 | L | 69.3 | Low | 66.9 | Low | 100 Ų | 100 | 126.3 Ų | 126.3 | 52% | 0.524 | 70% | 0.698 | S | S | . | * | | | trans | -81.2 | 125.7 | 171.2 | -63.1 | -179.2 | 0 | 0 | 0 | 108.5 | P44 Q50 L51 | P44-L46 PolarHBondContact O-N 2.99Å; P44-L46 VanDerWaalsContact O-N 3.08Å; L46-Q50 VanDerWaalsContact CA-OE1 3.26Å; L46-Q50 HydrophobicContact CB-CB 4.22Å; L46-Q50 HydrophobicContact CD2-CB 4.3Å; L46-L51 HydrophobicContact CD1-CD2 4.43Å |
| 47 | S | 69.5 | Low | 66 | Low | 52 Ų | 52 | 124 Ų | 124 | 36% | 0.364 | 69% | 0.692 | S | S | . | * | | | trans | -69.1 | 156.1 | 170.7 | 80.5 | 0 | 0 | 0 | 0 | 109.8 | E49 Q50 L51 | S47-E49 PolarHBondContact O-N 2.7Å; S47-E49 PolarHBondContact OG-N 2.78Å; S47-Q50 WeakPolarHBondContact O-CA 3.27Å; S47-Q50 WeakPolarHBondContact O-CB 3.49Å; S47-Q50 PolarHBondContact O-N 2.95Å; S47-L51 PolarHBondContact O-N 2.94Å |
| 48 | S | 69 | Low | 65.4 | Low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -15.3 | 175.8 | -50 | 0 | 0 | 0 | 0 | 113.6 | | |
| 49 | E | 70.6 | Confident | 64.8 | Low | 186 Ų | 186 | 129.5 Ų | 129.5 | 87% | 0.869 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -18.5 | 173.3 | -57.7 | -178.1 | 115.5 | 0 | 0 | 112.8 | S47 | S47-E49 PolarHBondContact O-N 2.7Å; S47-E49 PolarHBondContact OG-N 2.78Å |
| 50 | Q | 67.9 | Low | 64.3 | Low | 118 Ų | 118 | 132 Ų | 132 | 55% | 0.551 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -14.3 | 176.4 | -60.4 | -179.3 | -81.7 | 0 | 0 | 112.6 | L46 S47 D52 | L46-Q50 VanDerWaalsContact CA-OE1 3.26Å; L46-Q50 HydrophobicContact CB-CB 4.22Å; L46-Q50 HydrophobicContact CD2-CB 4.3Å; S47-Q50 WeakPolarHBondContact O-CA 3.27Å; S47-Q50 WeakPolarHBondContact O-CB 3.49Å; S47-Q50 PolarHBondContact O-N 2.95Å; Q50-D52 PolarHBondContact O-N 2.99Å |
| 51 | L | 66.3 | Low | 63.6 | Low | 108 Ų | 108 | 133.1 Ų | 133.1 | 57% | 0.565 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -82.9 | 99.5 | 171.3 | -64.2 | -179.3 | 0 | 0 | 0 | 107.9 | L46 S47 P53 | L46-L51 HydrophobicContact CD1-CD2 4.43Å; S47-L51 PolarHBondContact O-N 2.94Å; L51-P53 WeakPolarHBondContact O-CD 3.39Å; L51-P53 VanDerWaalsContact O-N 3.13Å |
| 52 | D | 66.4 | Low | 63.3 | Low | 150 Ų | 150 | 131.6 Ų | 131.6 | 80% | 0.802 | 70% | 0.704 | S | S | * | * | | | trans | -55.5 | 121.2 | 167 | -111.4 | -28.5 | 0 | 0 | 0 | 107.1 | Q50 V54 | Q50-D52 PolarHBondContact O-N 2.99Å; D52-V54 PolarHBondContact O-N 3.32Å |
| 53 | P | 62.6 | Low | 63.1 | Low | 109 Ų | 109 | 130.3 Ų | 130.3 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | | | trans | -58 | 120.1 | 172.7 | 23.2 | -29.6 | 0 | 0 | 0 | 106 | L51 S55 | L51-P53 WeakPolarHBondContact O-CD 3.39Å; L51-P53 VanDerWaalsContact O-N 3.13Å; P53-S55 PolarHBondContact O-N 3.18Å |
| 54 | V | 62.6 | Low | 62.9 | Low | 123 Ų | 123 | 134.1 Ų | 134.1 | 75% | 0.745 | 71% | 0.706 | S | S | * | * | | | trans | -56.9 | 97.6 | 168.2 | -179.2 | 0 | 0 | 0 | 0 | 105 | D52 N56 | D52-V54 PolarHBondContact O-N 3.32Å; V54-N56 PolarHBondContact O-N 3.26Å |
| 55 | S | 58.3 | Low | 62.7 | Low | 81 Ų | 81 | 138.1 Ų | 138.1 | 57% | 0.566 | 72% | 0.716 | S | S | * | * | | | trans | -71 | 86.6 | 177.8 | -175.1 | 0 | 0 | 0 | 0 | 106.1 | P53 D57 | P53-S55 PolarHBondContact O-N 3.18Å; S55-D57 PolarHBondContact O-N 2.92Å |
| 56 | N | 55.2 | Low | 62.5 | Low | 131 Ų | 131 | 137.5 Ų | 137.5 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 2.5 | 168 | -90.6 | -27 | 0 | 0 | 0 | 111.8 | V54 R58 | V54-N56 PolarHBondContact O-N 3.26Å; N56-R58 VanDerWaalsContact C-N 3.29Å |
| 57 | D | 54.4 | Low | 62.5 | Low | 148 Ų | 148 | 139.3 Ų | 139.3 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -9.8 | 176.3 | -64.5 | -34.5 | 0 | 0 | 0 | 113 | S55 L59 | S55-D57 PolarHBondContact O-N 2.92Å; D57-L59 PolarHBondContact O-N 3.48Å |
| 58 | R | 54.9 | Low | 62.7 | Low | 218 Ų | 218 | 140.6 Ų | 140.6 | 82% | 0.823 | 73% | 0.729 | S | S | * | * | | | trans | -83.5 | 60.9 | 161.4 | -155.9 | 170.5 | 179.5 | -167.4 | -3.1 | 109.2 | N56 H60 | N56-R58 VanDerWaalsContact C-N 3.29Å; R58-H60 PolarHBondContact O-N 2.82Å |
| 59 | L | 57.6 | Low | 62.5 | Low | 150 Ų | 150 | 144.5 Ų | 144.5 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | | | trans | -47.8 | 118.1 | 153.5 | -78.8 | 168.7 | 0 | 0 | 0 | 105.9 | D57 D61 | D57-L59 PolarHBondContact O-N 3.48Å; L59-D61 VanDerWaalsContact C-N 3.33Å; L59-D61 PolarHBondContact O-N 2.98Å |
| 60 | H | 55.5 | Low | 62.4 | Low | 147 Ų | 147 | 143 Ų | 143 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | | | trans | -41.3 | 93.5 | 177.7 | -67.7 | -111.3 | 0 | 0 | 0 | 110.6 | R58 E62 | R58-H60 PolarHBondContact O-N 2.82Å; H60-E62 HydrophobicContact CB-CB 4.42Å; H60-E62 HydrophobicContact CB-CG 4.19Å; H60-E62 IonicContact CE1-OE2 3.73Å; H60-E62 IonicContact CG-OE2 3.8Å; H60-E62 IonicContact ND1-OE2 2.83Å; H60-E62 PolarHBondContact ND1-OE2 3Å; H60-E62 PolarHBondContact O-N 3.4Å |
| 61 | D | 56 | Low | 62.2 | Low | 158 Ų | 158 | 144.5 Ų | 144.5 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | | | trans | -82.7 | 51 | 150.3 | -160.6 | 19.8 | 0 | 0 | 0 | 106.8 | L59 S63 | L59-D61 VanDerWaalsContact C-N 3.33Å; L59-D61 PolarHBondContact O-N 2.98Å; D61-S63 VanDerWaalsContact C-N 3.27Å; D61-S63 PolarHBondContact O-N 2.96Å; D61-S63 VanDerWaalsContact O-N 3.15Å |
| 62 | E | 58.4 | Low | 62.4 | Low | 137 Ų | 137 | 148.2 Ų | 148.2 | 64% | 0.64 | 76% | 0.755 | S | S | * | * | | | trans | -72.5 | 102.1 | 156.6 | -67.3 | -175.8 | 134.1 | 0 | 0 | 102.8 | H60 K64 | H60-E62 HydrophobicContact CB-CB 4.42Å; H60-E62 HydrophobicContact CB-CG 4.19Å; H60-E62 IonicContact CE1-OE2 3.73Å; H60-E62 IonicContact CG-OE2 3.8Å; H60-E62 IonicContact ND1-OE2 2.83Å; H60-E62 PolarHBondContact ND1-OE2 3Å; H60-E62 PolarHBondContact O-N 3.4Å; E62-K64 PolarHBondContact O-N 3.36Å |
| 63 | S | 60.1 | Low | 62.7 | Low | 97 Ų | 97 | 148.1 Ų | 148.1 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | trans | -35 | 109.8 | 162.8 | 47.8 | 0 | 0 | 0 | 0 | 107.1 | D61 E65 | D61-S63 VanDerWaalsContact C-N 3.27Å; D61-S63 PolarHBondContact O-N 2.96Å; D61-S63 VanDerWaalsContact O-N 3.15Å; S63-E65 PolarHBondContact O-N 3.03Å |
| 64 | K | 63.1 | Low | 63.2 | Low | 204 Ų | 204 | 148 Ų | 148 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | | | trans | -60.8 | 96.2 | 175.4 | -67 | -174.1 | -178.5 | -174.3 | 0 | 105.5 | E62 E66 | E62-K64 PolarHBondContact O-N 3.36Å; K64-E66 VanDerWaalsContact C-N 3.35Å; K64-E66 PolarHBondContact O-N 2.89Å |
| 65 | E | 65.8 | Low | 63.6 | Low | 180 Ų | 180 | 151 Ų | 151 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | trans | -59.1 | 108.2 | 166.5 | -122.7 | -175.7 | 114.6 | 0 | 0 | 104.8 | S63 I67 | S63-E65 PolarHBondContact O-N 3.03Å; E65-I67 PolarHBondContact O-N 2.76Å |
| 66 | E | 69.2 | Low | 64.2 | Low | 181 Ų | 181 | 153.6 Ų | 153.6 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | | | trans | -62.6 | 109.1 | 177.6 | -174.8 | 179.7 | 130.3 | 0 | 0 | 107.1 | K64 P68 | K64-E66 VanDerWaalsContact C-N 3.35Å; K64-E66 PolarHBondContact O-N 2.89Å; E66-P68 VanDerWaalsContact O-CD 3.27Å; E66-P68 WeakPolarHBondContact O-CD 3.39Å |
| 67 | I | 69.9 | Low | 65 | Low | 138 Ų | 138 | 152.3 Ų | 152.3 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | | | trans | -66.9 | 119.3 | 176.2 | -53.1 | 173.3 | 0 | 0 | 0 | 106.8 | E65 Q69 | E65-I67 PolarHBondContact O-N 2.76Å; I67-Q69 PolarHBondContact O-N 2.97Å; I67-Q69 VanDerWaalsContact O-N 3.08Å |
| 68 | P | 72.9 | Confident | 65.7 | Low | 78 Ų | 78 | 151.2 Ų | 151.2 | 51% | 0.506 | 77% | 0.77 | S | S | . | * | | | trans | -61.8 | 117.3 | 175.7 | 21.2 | -28.3 | 0 | 0 | 0 | 109.2 | E66 N70 | E66-P68 VanDerWaalsContact O-CD 3.27Å; E66-P68 WeakPolarHBondContact O-CD 3.39Å; P68-N70 PolarHBondContact O-N 3.32Å |
| 69 | Q | 65.2 | Low | 66.5 | Low | 192 Ų | 192 | 148 Ų | 148 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 1.6 | -176 | -66.9 | -167.1 | -22.3 | 0 | 0 | 114.7 | I67 | I67-Q69 PolarHBondContact O-N 2.97Å; I67-Q69 VanDerWaalsContact O-N 3.08Å |
| 70 | N | 68.4 | Low | 67.1 | Low | 154 Ų | 154 | 147.3 Ų | 147.3 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | 26.6 | -172 | -67.3 | -18.5 | 0 | 0 | 0 | 113.4 | P68 E72 | P68-N70 PolarHBondContact O-N 3.32Å; N70-E72 PolarHBondContact O-N 3.19Å; N70-E72 VanDerWaalsContact O-N 3.09Å |
| 71 | Q | 62.7 | Low | 67.7 | Low | 151 Ų | 151 | 148.5 Ų | 148.5 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -73.3 | 102.2 | 166.1 | -68.2 | -166.4 | 7.5 | 0 | 0 | 108.7 | I73 | Q71-I73 PolarHBondContact O-N 3.08Å; Q71-I73 VanDerWaalsContact O-N 3.16Å |
| 72 | E | 71.3 | Confident | 68.6 | Low | 186 Ų | 186 | 149.8 Ų | 149.8 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 116.6 | 168.2 | -165.7 | 177.4 | 131.9 | 0 | 0 | 108.7 | N70 P74 | N70-E72 PolarHBondContact O-N 3.19Å; N70-E72 VanDerWaalsContact O-N 3.09Å; E72-P74 VanDerWaalsContact O-CD 3.32Å; E72-P74 WeakPolarHBondContact O-CD 3.5Å |
| 73 | I | 72.3 | Confident | 69.4 | Low | 148 Ų | 148 | 152 Ų | 152 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 118.7 | 177.7 | -56.3 | 172.3 | 0 | 0 | 0 | 106.2 | Q71 E75 | Q71-I73 PolarHBondContact O-N 3.08Å; Q71-I73 VanDerWaalsContact O-N 3.16Å; I73-E75 PolarHBondContact O-N 3.46Å; I73-E75 VanDerWaalsContact O-N 3.13Å |
| 74 | P | 72.8 | Confident | 70.1 | Confident | 107 Ų | 107 | 152.3 Ų | 152.3 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 121.6 | 175.7 | 22.9 | -29.9 | 0 | 0 | 0 | 108.6 | E72 V76 | E72-P74 VanDerWaalsContact O-CD 3.32Å; E72-P74 WeakPolarHBondContact O-CD 3.5Å; P74-V76 PolarHBondContact O-N 3.05Å |
| 75 | E | 72.4 | Confident | 70.6 | Confident | 186 Ų | 186 | 150.8 Ų | 150.8 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | | | trans | -58.4 | 111.9 | 177.3 | -67.6 | -172.2 | 164.4 | 0 | 0 | 109.1 | I73 S77 | I73-E75 PolarHBondContact O-N 3.46Å; I73-E75 VanDerWaalsContact O-N 3.13Å; E75-S77 PolarHBondContact O-N 3.12Å |
| 76 | V | 70.8 | Confident | 71.1 | Confident | 134 Ų | 134 | 147.3 Ų | 147.3 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | trans | -67.8 | 100.4 | 169.6 | -179.5 | 0 | 0 | 0 | 0 | 106.5 | P74 V78 | P74-V76 PolarHBondContact O-N 3.05Å; V76-V78 PolarHBondContact O-N 2.85Å; V76-V78 VanDerWaalsContact O-N 3.08Å |
| 77 | S | 70.3 | Confident | 71.4 | Confident | 105 Ų | 105 | 146 Ų | 146 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | -58.4 | 115 | 168.2 | -71.6 | 0 | 0 | 0 | 0 | 108 | E75 I79 | E75-S77 PolarHBondContact O-N 3.12Å; S77-I79 PolarHBondContact O-N 3.07Å |
| 78 | V | 70.2 | Confident | 71.5 | Confident | 125 Ų | 125 | 146.5 Ų | 146.5 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | | | trans | -63.4 | 100.7 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | V76 T80 | V76-V78 PolarHBondContact O-N 2.85Å; V76-V78 VanDerWaalsContact O-N 3.08Å; V78-T80 PolarHBondContact O-N 3.06Å |
| 79 | I | 71.2 | Confident | 71.2 | Confident | 151 Ų | 151 | 146.7 Ų | 146.7 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | | | trans | -65.5 | 113.3 | 162.9 | 44.4 | 168.9 | 0 | 0 | 0 | 106.9 | S77 E81 | S77-I79 PolarHBondContact O-N 3.07Å; I79-E81 PolarHBondContact O-N 3.19Å |
| 80 | T | 70.1 | Confident | 70.7 | Confident | 134 Ų | 134 | 145.2 Ų | 145.2 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -73.7 | 102.6 | 168.2 | 18.2 | 0 | 0 | 0 | 0 | 106.3 | V78 E82 | V78-T80 PolarHBondContact O-N 3.06Å; T80-E82 PolarHBondContact O-N 3.38Å |
| 81 | E | 69.7 | Low | 70.3 | Confident | 173 Ų | 173 | 145.6 Ų | 145.6 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | | | trans | -66.2 | 115.3 | 171.7 | -122.5 | -176 | 123.4 | 0 | 0 | 108.7 | I79 K83 | I79-E81 PolarHBondContact O-N 3.19Å; E81-K83 PolarHBondContact O-N 3.33Å |
| 82 | E | 74.8 | Confident | 69.9 | Low | 185 Ų | 185 | 142.5 Ų | 142.5 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | -64.8 | 108.4 | 163.1 | -176.2 | 178.5 | 95.7 | 0 | 0 | 107.2 | T80 | T80-E82 PolarHBondContact O-N 3.38Š|
| 83 | K | 73.8 | Confident | 69 | Low | 183 Ų | 183 | 137 Ų | 137 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | trans | -71.1 | 128.3 | 173.6 | -70 | 179.9 | -178.3 | 173.7 | 0 | 108.2 | E81 D85 | E81-K83 PolarHBondContact O-N 3.33Å; K83-D85 PolarHBondContact O-N 3.32Å |
| 84 | P | 74.7 | Confident | 68.4 | Low | 104 Ų | 104 | 139.1 Ų | 139.1 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | | | trans | -64.2 | 136.1 | 167.9 | 27.1 | -32.1 | 0 | 0 | 0 | 109.1 | V86 | P84-V86 PolarHBondContact O-N 3.23Š|
| 85 | D | 75 | Confident | 67.8 | Low | 171 Ų | 171 | 139.3 Ų | 139.3 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | | | trans | -62.5 | 107.2 | 166.2 | -87.7 | -34.9 | 0 | 0 | 0 | 108.2 | K83 D87 | K83-D85 PolarHBondContact O-N 3.32Å; D85-D87 PolarHBondContact O-N 3.09Å |
| 86 | V | 75.6 | Confident | 67.2 | Low | 107 Ų | 107 | 139.6 Ų | 139.6 | 65% | 0.648 | 79% | 0.789 | S | S | * | * | | | trans | -86.7 | 98.5 | 173.1 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | P84 L88 | P84-V86 PolarHBondContact O-N 3.23Å; V86-L88 HydrophobicContact CG1-CD2 4.01Å; V86-L88 HydrophobicContact CG1-CG 4.1Å; V86-L88 PolarHBondContact O-N 2.86Å |
| 87 | D | 75.2 | Confident | 66.7 | Low | 155 Ų | 155 | 141.9 Ų | 141.9 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | trans | -76.7 | 99.4 | 172.3 | -132.1 | -13.8 | 0 | 0 | 0 | 108.9 | D85 A89 | D85-D87 PolarHBondContact O-N 3.09Å; D87-A89 PolarHBondContact O-N 3.02Å |
| 88 | L | 71.6 | Confident | 66.1 | Low | 148 Ų | 148 | 141.6 Ų | 141.6 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | trans | -75.9 | 22.2 | -178.6 | -73.4 | 169.1 | 0 | 0 | 0 | 113.6 | V86 N90 | V86-L88 HydrophobicContact CG1-CD2 4.01Å; V86-L88 HydrophobicContact CG1-CG 4.1Å; V86-L88 PolarHBondContact O-N 2.86Å; L88-N90 PolarHBondContact O-N 2.87Å |
| 89 | A | 66.4 | Low | 65.7 | Low | 82 Ų | 82 | 142.9 Ų | 142.9 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | -73.5 | 18.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | D87 | D87-A89 PolarHBondContact O-N 3.02Š|
| 90 | N | 56.4 | Low | 65 | Low | 161 Ų | 161 | 140.4 Ų | 140.4 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | trans | -104.2 | 48.4 | 174.5 | -138.3 | 50.3 | 0 | 0 | 0 | 111.8 | L88 A92 | L88-N90 PolarHBondContact O-N 2.87Å; N90-A92 VanDerWaalsContact C-N 3.27Å |
| 91 | D | 60 | Low | 64.5 | Low | 161 Ų | 161 | 141.3 Ų | 141.3 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | trans | -91.7 | 36.1 | 169.5 | -171.5 | 28.7 | 0 | 0 | 0 | 111.7 | | |
| 92 | A | 53.6 | Low | 64.1 | Low | 86 Ų | 86 | 141.4 Ų | 141.4 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -136.5 | 90.3 | -178 | 0 | 0 | 0 | 0 | 0 | 110.8 | N90 | N90-A92 VanDerWaalsContact C-N 3.27Š|
| 93 | G | 52 | Low | 63.2 | Low | 72 Ų | 72 | 135.3 Ų | 135.3 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | 131.1 | 25.4 | 146.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | P95 | G93-P95 WeakPolarHBondContact O-CD 3.3Š|
| 94 | Q | 58.9 | Low | 62.2 | Low | 192 Ų | 192 | 134 Ų | 134 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | | | trans | -86.8 | 119 | 160.2 | -68.5 | -145.2 | -86.9 | 0 | 0 | 109.7 | | |
| 95 | P | 60.3 | Low | 61.4 | Low | 110 Ų | 110 | 135.6 Ų | 135.6 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | | | trans | -66.3 | 134.5 | 179.2 | 26.9 | -32.2 | 0 | 0 | 0 | 110 | G93 E97 | G93-P95 WeakPolarHBondContact O-CD 3.3Å; P95-E97 PolarHBondContact O-N 2.99Å |
| 96 | E | 61.6 | Low | 60.4 | Low | 193 Ų | 193 | 133 Ų | 133 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | trans | -64.7 | 113.6 | 168.4 | -62.4 | -154.6 | 126.7 | 0 | 0 | 108.8 | S98 | E96-S98 VanDerWaalsContact C-N 3.33Å; E96-S98 PolarHBondContact O-N 3.25Å |
| 97 | E | 59.1 | Low | 59.3 | Low | 182 Ų | 182 | 137 Ų | 137 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | | | trans | -70.4 | 98 | 163.5 | -67 | -151.4 | 118 | 0 | 0 | 107.9 | P95 N99 | P95-E97 PolarHBondContact O-N 2.99Å; E97-N99 PolarHBondContact O-N 3.31Å |
| 98 | S | 57.5 | Low | 58.2 | Low | 98 Ų | 98 | 139.3 Ų | 139.3 | 69% | 0.685 | 82% | 0.816 | S | S | * | * | | | trans | -63.1 | 92.6 | 170 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | E96 T100 | E96-S98 VanDerWaalsContact C-N 3.33Å; E96-S98 PolarHBondContact O-N 3.25Å; S98-T100 VanDerWaalsContact C-N 3.31Å; S98-T100 PolarHBondContact O-N 3.35Å; S98-T100 PolarHBondContact OG-OG1 3.39Å |
| 99 | N | 61.5 | Low | 57.5 | Low | 153 Ų | 153 | 138.9 Ų | 138.9 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -76 | 86.9 | 165.1 | -81.6 | -17.8 | 0 | 0 | 0 | 108.9 | E97 N101 | E97-N99 PolarHBondContact O-N 3.31Å; N99-N101 PolarHBondContact O-N 3.29Å; N99-N101 VanDerWaalsContact O-N 3.12Å |
| 100 | T | 56.5 | Low | 57 | Low | 99 Ų | 99 | 141.9 Ų | 141.9 | 61% | 0.607 | 83% | 0.825 | S | S | * | * | | | trans | -74.7 | 99.5 | 169.9 | -38.8 | 0 | 0 | 0 | 0 | 108.8 | S98 E102 | S98-T100 VanDerWaalsContact C-N 3.31Å; S98-T100 PolarHBondContact O-N 3.35Å; S98-T100 PolarHBondContact OG-OG1 3.39Å; T100-E102 VanDerWaalsContact C-N 3.29Å; T100-E102 HydrophobicContact CG2-CG 3.74Å; T100-E102 PolarHBondContact O-N 3.41Å |
| 101 | N | 60.1 | Low | 57.1 | Low | 152 Ų | 152 | 140.8 Ų | 140.8 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | | | trans | -85.4 | 74.1 | 164.8 | -166.1 | 21.4 | 0 | 0 | 0 | 108.5 | N99 | N99-N101 PolarHBondContact O-N 3.29Å; N99-N101 VanDerWaalsContact O-N 3.12Å |
| 102 | E | 62.2 | Low | 56.9 | Low | 175 Ų | 175 | 139.6 Ų | 139.6 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -76.5 | 125.4 | 159 | -74.1 | 179.1 | 162.6 | 0 | 0 | 106.8 | T100 | T100-E102 VanDerWaalsContact C-N 3.29Å; T100-E102 HydrophobicContact CG2-CG 3.74Å; T100-E102 PolarHBondContact O-N 3.41Å |
| 103 | G | 54.4 | Low | 57.1 | Low | 57 Ų | 57 | 143 Ų | 143 | 59% | 0.588 | 83% | 0.828 | S | S | * | * | | | cis | 179.7 | 122.3 | 1 | 0 | 0 | 0 | 0 | 0 | 105.2 | | |
| 104 | N | 53.2 | Low | 57.4 | Low | 155 Ų | 155 | 147.7 Ų | 147.7 | 83% | 0.829 | 83% | 0.834 | S | S | * | * | | | trans | -114 | 90.6 | 172.4 | -64 | 7.6 | 0 | 0 | 0 | 107.6 | | |
| 105 | T | 57.3 | Low | 57.3 | Low | 138 Ų | 138 | 144.6 Ų | 144.6 | 85% | 0.847 | 83% | 0.829 | S | S | * | * | | | trans | -145 | 110.7 | 159.7 | 51.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 106 | S | 54.3 | Low | 57.1 | Low | 117 Ų | 117 | 147.2 Ų | 147.2 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | | | trans | -49.2 | 143.1 | 161.2 | -67.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 107 | E | 53.8 | Low | 56.7 | Low | 191 Ų | 191 | 143.4 Ų | 143.4 | 89% | 0.893 | 83% | 0.833 | S | S | * | * | | | trans | -170.6 | 107.9 | 135.3 | -107.7 | -177.5 | 118.8 | 0 | 0 | 109.7 | | |
| 108 | S | 50.9 | Low | 56.5 | Low | 204 Ų | 204 | 139.9 Ų | 139.9 | 100% | 1.427 | 83% | 0.831 | S | S | * | * | | | trans | -173.1 | 0 | 142.3 | -75.9 | 0 | 0 | 0 | 0 | 109.5 | | |